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 1l3t_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK 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 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.585 177.584 0.002 0.000 1.274 297 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 297 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 298 K N 0.726 121.129 120.400 0.004 0.000 2.569 298 K HA 0.385 4.702 4.320 -0.005 0.000 0.280 298 K C 0.062 176.683 176.600 0.034 0.000 0.984 298 K CA 1.195 57.495 56.287 0.021 0.000 1.064 298 K CB -0.617 31.884 32.500 0.001 0.000 0.866 298 K HN 0.887 nan 8.250 nan 0.000 0.492 299 M N 2.736 122.388 119.600 0.087 0.000 2.188 299 M HA 0.512 4.989 4.480 -0.005 0.000 0.357 299 M C 0.348 176.740 176.300 0.152 0.000 1.204 299 M CA -0.404 54.964 55.300 0.114 0.000 1.095 299 M CB 1.261 33.945 32.600 0.140 0.000 1.604 299 M HN 0.808 nan 8.290 nan 0.000 0.464 300 A N 5.340 128.196 122.820 0.059 0.000 2.440 300 A HA 0.630 4.947 4.320 -0.005 0.000 0.251 300 A C -0.872 176.749 177.584 0.062 0.000 1.089 300 A CA -0.190 51.825 52.037 -0.038 0.000 0.779 300 A CB -0.211 18.749 19.000 -0.067 0.000 1.022 300 A HN 0.904 nan 8.150 nan 0.000 0.492 301 F N -1.301 118.588 119.950 -0.103 0.000 2.744 301 F HA 0.579 5.102 4.527 -0.007 0.000 0.311 301 F C -0.625 175.109 175.800 -0.110 0.000 1.144 301 F CA -0.827 57.085 58.000 -0.146 0.000 0.938 301 F CB 0.723 39.667 39.000 -0.093 0.000 1.292 301 F HN 0.314 nan 8.300 nan 0.000 0.444 302 T N 3.068 117.667 114.554 0.074 0.000 2.771 302 T HA 0.407 4.754 4.350 -0.005 0.000 0.291 302 T C -0.404 174.508 174.700 0.353 0.000 0.954 302 T CA -0.331 61.822 62.100 0.090 0.000 1.045 302 T CB 1.100 70.026 68.868 0.098 0.000 0.917 302 T HN 0.769 nan 8.240 nan 0.000 0.484 303 L N 3.935 125.311 121.223 0.256 0.000 2.389 303 L HA 0.522 4.860 4.340 -0.005 0.000 0.265 303 L C 0.605 177.626 176.870 0.251 0.000 1.167 303 L CA -0.643 54.429 54.840 0.387 0.000 1.045 303 L CB -0.414 41.812 42.059 0.278 0.000 1.351 303 L HN 0.739 nan 8.230 nan 0.000 0.419 304 A N 2.501 125.465 122.820 0.240 0.000 2.477 304 A HA 0.113 4.430 4.320 -0.005 0.000 0.246 304 A C 0.579 178.199 177.584 0.060 0.000 1.078 304 A CA -0.206 51.904 52.037 0.123 0.000 0.770 304 A CB 0.165 19.218 19.000 0.087 0.000 1.011 304 A HN 0.735 nan 8.150 nan 0.000 0.494 305 D N 0.343 120.761 120.400 0.030 0.000 2.367 305 D HA 0.099 4.736 4.640 -0.005 0.000 0.207 305 D C 0.690 176.971 176.300 -0.032 0.000 1.034 305 D CA 0.711 54.716 54.000 0.008 0.000 0.861 305 D CB 0.392 41.201 40.800 0.015 0.000 0.943 305 D HN 0.616 nan 8.370 nan 0.000 0.515 306 R N 0.337 120.808 120.500 -0.048 0.000 2.680 306 R HA 0.343 4.680 4.340 -0.005 0.000 0.269 306 R C -1.448 174.782 176.300 -0.117 0.000 1.026 306 R CA -0.557 55.496 56.100 -0.078 0.000 0.889 306 R CB 1.929 32.198 30.300 -0.052 0.000 1.241 306 R HN -0.273 nan 8.270 nan 0.000 0.463 307 V N 2.699 122.522 119.914 -0.151 0.000 2.614 307 V HA 0.267 4.384 4.120 -0.005 0.000 0.291 307 V C 0.504 176.502 176.094 -0.159 0.000 1.049 307 V CA 0.123 62.305 62.300 -0.197 0.000 1.038 307 V CB 1.173 32.890 31.823 -0.178 0.000 0.980 307 V HN 0.946 nan 8.190 nan 0.000 0.481 308 T N 0.144 114.567 114.554 -0.217 0.000 2.916 308 T HA 0.456 4.803 4.350 -0.005 0.000 0.292 308 T C 0.688 175.253 174.700 -0.226 0.000 1.064 308 T CA -0.432 61.556 62.100 -0.187 0.000 1.011 308 T CB 2.017 70.784 68.868 -0.167 0.000 1.152 308 T HN 0.524 nan 8.240 nan 0.000 0.510 309 E N 1.178 121.276 120.200 -0.170 0.000 2.049 309 E HA -0.253 4.094 4.350 -0.005 0.000 0.198 309 E C 1.816 178.287 176.600 -0.216 0.000 1.007 309 E CA 2.467 58.770 56.400 -0.161 0.000 0.809 309 E CB -0.452 29.178 29.700 -0.115 0.000 0.749 309 E HN 0.902 nan 8.360 nan 0.000 0.450 310 E N -0.433 119.613 120.200 -0.256 0.000 2.463 310 E HA -0.186 4.161 4.350 -0.005 0.000 0.201 310 E C 1.781 178.220 176.600 -0.270 0.000 1.045 310 E CA 1.042 57.280 56.400 -0.270 0.000 0.872 310 E CB -0.332 29.172 29.700 -0.327 0.000 0.797 310 E HN 0.384 nan 8.360 nan 0.000 0.538 311 M N 0.515 119.789 119.600 -0.544 0.000 2.541 311 M HA 0.117 4.594 4.480 -0.005 0.000 0.252 311 M C 0.803 176.673 176.300 -0.716 0.000 1.125 311 M CA 0.596 55.425 55.300 -0.785 0.000 1.091 311 M CB 0.348 32.447 32.600 -0.836 0.000 1.420 311 M HN 0.123 nan 8.290 nan 0.000 0.486 312 L N 0.147 121.032 121.223 -0.563 0.000 3.034 312 L HA 0.440 4.777 4.340 -0.005 0.000 0.245 312 L C 0.682 177.456 176.870 -0.161 0.000 1.295 312 L CA -0.829 53.560 54.840 -0.751 0.000 1.068 312 L CB -0.530 41.263 42.059 -0.444 0.000 1.426 312 L HN 0.022 nan 8.230 nan 0.000 0.531 313 A N 0.513 123.331 122.820 -0.004 0.000 2.386 313 A HA 0.098 4.415 4.320 -0.005 0.000 0.246 313 A C 0.902 178.703 177.584 0.363 0.000 1.089 313 A CA 0.108 52.265 52.037 0.201 0.000 0.790 313 A CB 0.202 19.298 19.000 0.160 0.000 1.042 313 A HN 0.551 nan 8.150 nan 0.000 0.497 314 D N -1.157 119.405 120.400 0.269 0.000 2.324 314 D HA 0.201 4.838 4.640 -0.005 0.000 0.235 314 D C 0.042 176.471 176.300 0.215 0.000 1.095 314 D CA 0.330 54.472 54.000 0.236 0.000 0.871 314 D CB -0.042 40.843 40.800 0.143 0.000 0.906 314 D HN 0.329 nan 8.370 nan 0.000 0.522 315 K N -0.019 120.548 120.400 0.280 0.000 2.589 315 K HA 0.682 4.999 4.320 -0.005 0.000 0.253 315 K C -1.956 174.896 176.600 0.421 0.000 0.974 315 K CA -0.412 56.058 56.287 0.306 0.000 0.835 315 K CB 1.710 34.370 32.500 0.267 0.000 1.272 315 K HN 0.043 nan 8.250 nan 0.000 0.444 316 A N 2.100 125.199 122.820 0.464 0.000 2.608 316 A HA 0.833 5.150 4.320 -0.005 0.000 0.292 316 A C -1.543 176.303 177.584 0.436 0.000 1.066 316 A CA -0.464 51.814 52.037 0.402 0.000 0.676 316 A CB 1.330 20.535 19.000 0.342 0.000 1.277 316 A HN 0.874 nan 8.150 nan 0.000 0.413 317 A N 0.395 123.431 122.820 0.360 0.000 2.289 317 A HA 0.664 4.981 4.320 -0.005 0.000 0.298 317 A C -0.734 176.995 177.584 0.242 0.000 1.208 317 A CA -0.247 51.998 52.037 0.347 0.000 0.845 317 A CB 0.322 19.543 19.000 0.367 0.000 1.125 317 A HN 1.840 nan 8.150 nan 0.000 0.517 318 L N 3.527 124.891 121.223 0.235 0.000 2.362 318 L HA 0.730 5.067 4.340 -0.005 0.000 0.275 318 L C -1.113 175.855 176.870 0.162 0.000 0.998 318 L CA -0.313 54.665 54.840 0.230 0.000 0.820 318 L CB 2.199 44.427 42.059 0.281 0.000 1.270 318 L HN 0.390 nan 8.230 nan 0.000 0.415 319 V N 5.602 125.601 119.914 0.141 0.000 2.444 319 V HA 0.510 4.627 4.120 -0.005 0.000 0.294 319 V C -0.746 175.409 176.094 0.103 0.000 1.022 319 V CA -0.583 61.779 62.300 0.103 0.000 0.850 319 V CB 1.911 33.774 31.823 0.067 0.000 0.992 319 V HN 0.501 nan 8.190 nan 0.000 0.426 320 V N 4.015 123.982 119.914 0.089 0.000 2.289 320 V HA 0.339 4.456 4.120 -0.005 0.000 0.272 320 V C -0.003 176.125 176.094 0.057 0.000 1.026 320 V CA -0.648 61.698 62.300 0.077 0.000 0.807 320 V CB 1.334 33.201 31.823 0.074 0.000 1.044 320 V HN 0.926 nan 8.190 nan 0.000 0.443 321 E N 3.417 123.656 120.200 0.066 0.000 2.324 321 E HA 0.372 4.720 4.350 -0.005 0.000 0.271 321 E C -0.806 175.813 176.600 0.031 0.000 1.028 321 E CA 0.161 56.602 56.400 0.067 0.000 0.890 321 E CB 1.178 30.948 29.700 0.117 0.000 1.004 321 E HN 0.423 nan 8.360 nan 0.000 0.431 322 V N 6.325 126.247 119.914 0.014 0.000 2.380 322 V HA 0.103 4.220 4.120 -0.005 0.000 0.286 322 V C 0.725 176.791 176.094 -0.046 0.000 1.015 322 V CA -0.569 61.728 62.300 -0.004 0.000 0.834 322 V CB 1.491 33.332 31.823 0.030 0.000 1.009 322 V HN 0.689 nan 8.190 nan 0.000 0.428 323 V N 2.254 122.085 119.914 -0.139 0.000 2.649 323 V HA 0.041 4.159 4.120 -0.005 0.000 0.248 323 V C 1.240 177.246 176.094 -0.148 0.000 1.054 323 V CA 0.872 63.008 62.300 -0.272 0.000 1.073 323 V CB -0.184 31.335 31.823 -0.507 0.000 0.699 323 V HN 0.793 nan 8.190 nan 0.000 0.463 324 E N 0.859 121.006 120.200 -0.088 0.000 2.415 324 E HA -0.028 4.319 4.350 -0.005 0.000 0.263 324 E C 1.115 177.697 176.600 -0.030 0.000 0.995 324 E CA 0.211 56.575 56.400 -0.059 0.000 0.915 324 E CB 0.789 30.455 29.700 -0.056 0.000 0.951 324 E HN 0.501 nan 8.360 nan 0.000 0.449 325 E N 1.897 122.078 120.200 -0.033 0.000 2.085 325 E HA -0.174 4.173 4.350 -0.005 0.000 0.194 325 E C 0.680 177.229 176.600 -0.085 0.000 0.994 325 E CA 0.711 57.098 56.400 -0.021 0.000 0.801 325 E CB 0.139 29.828 29.700 -0.019 0.000 0.743 325 E HN 0.270 nan 8.360 nan 0.000 0.453 326 N N 0.491 119.112 118.700 -0.131 0.000 2.437 326 N HA -0.041 4.696 4.740 -0.005 0.000 0.243 326 N C -0.108 175.255 175.510 -0.245 0.000 1.041 326 N CA -0.081 52.815 53.050 -0.257 0.000 0.940 326 N CB 0.431 38.828 38.487 -0.151 0.000 1.133 326 N HN 0.091 nan 8.380 nan 0.000 0.506 327 Y N 1.293 121.504 120.300 -0.148 0.000 2.578 327 Y HA 0.242 4.789 4.550 -0.005 0.000 0.297 327 Y C 0.331 176.087 175.900 -0.240 0.000 1.176 327 Y CA -0.426 57.571 58.100 -0.172 0.000 1.315 327 Y CB -0.907 37.472 38.460 -0.136 0.000 1.031 327 Y HN 0.372 nan 8.280 nan 0.000 0.524 328 H N 2.843 121.845 119.070 -0.114 0.000 3.026 328 H HA 0.013 4.567 4.556 -0.004 0.000 0.289 328 H C 0.354 175.125 175.328 -0.929 0.000 1.022 328 H CA 0.929 56.749 56.048 -0.379 0.000 1.477 328 H CB 0.358 29.959 29.762 -0.269 0.000 1.510 328 H HN 0.349 nan 8.280 nan 0.000 0.535 329 D N 0.857 120.384 120.400 -1.455 0.000 2.811 329 D HA -0.179 4.458 4.640 -0.005 0.000 0.231 329 D C -0.156 175.923 176.300 -0.368 0.000 1.157 329 D CA 0.898 54.332 54.000 -0.943 0.000 0.716 329 D CB -0.699 39.407 40.800 -1.156 0.000 1.077 329 D HN 0.750 nan 8.370 nan 0.000 0.428 330 A N -0.170 122.515 122.820 -0.224 0.000 2.264 330 A HA 0.708 5.025 4.320 -0.005 0.000 0.304 330 A C -2.180 175.377 177.584 -0.044 0.000 1.100 330 A CA -1.032 50.941 52.037 -0.107 0.000 0.839 330 A CB 0.709 19.672 19.000 -0.062 0.000 1.121 330 A HN 0.092 nan 8.150 nan 0.000 0.496 331 P HA 0.373 nan 4.420 nan 0.000 0.275 331 P C -0.964 176.336 177.300 -0.000 0.000 1.228 331 P CA 0.069 63.162 63.100 -0.011 0.000 0.786 331 P CB 0.492 32.183 31.700 -0.015 0.000 0.927 332 I N 2.569 123.146 120.570 0.013 0.000 2.312 332 I HA 0.067 4.234 4.170 -0.005 0.000 0.290 332 I C 1.407 177.537 176.117 0.021 0.000 1.008 332 I CA -0.537 60.774 61.300 0.019 0.000 1.226 332 I CB 1.574 39.590 38.000 0.027 0.000 1.371 332 I HN 0.196 nan 8.210 nan 0.000 0.468 333 V N 2.982 122.915 119.914 0.032 0.000 3.406 333 V HA 0.518 4.635 4.120 -0.005 0.000 0.263 333 V C 0.684 176.845 176.094 0.113 0.000 1.172 333 V CA 0.589 62.926 62.300 0.063 0.000 1.140 333 V CB -0.400 31.460 31.823 0.063 0.000 0.784 333 V HN 0.832 nan 8.190 nan 0.000 0.467 334 G N -0.548 108.300 108.800 0.079 0.000 2.387 334 G HA2 0.584 4.541 3.960 -0.005 0.000 0.294 334 G HA3 0.584 4.541 3.960 -0.005 0.000 0.294 334 G C -1.758 173.111 174.900 -0.052 0.000 1.509 334 G CA -0.699 44.428 45.100 0.044 0.000 0.806 334 G HN 0.197 nan 8.290 nan 0.000 0.546 335 I N 0.254 120.647 120.570 -0.295 0.000 2.686 335 I HA 0.719 4.886 4.170 -0.005 0.000 0.295 335 I C 0.074 176.071 176.117 -0.200 0.000 1.114 335 I CA -1.027 60.164 61.300 -0.182 0.000 1.038 335 I CB 2.366 40.246 38.000 -0.200 0.000 1.238 335 I HN 0.854 nan 8.210 nan 0.000 0.420 336 A N 5.286 128.104 122.820 -0.005 0.000 2.414 336 A HA 0.897 5.214 4.320 -0.005 0.000 0.306 336 A C -1.410 176.225 177.584 0.085 0.000 1.054 336 A CA -0.544 51.520 52.037 0.045 0.000 0.724 336 A CB 1.903 20.938 19.000 0.058 0.000 1.267 336 A HN 0.392 nan 8.150 nan 0.000 0.418 337 V N 2.083 122.065 119.914 0.113 0.000 2.577 337 V HA 0.562 4.679 4.120 -0.005 0.000 0.303 337 V C -0.826 175.349 176.094 0.136 0.000 1.042 337 V CA -0.494 61.885 62.300 0.131 0.000 0.872 337 V CB 1.794 33.656 31.823 0.064 0.000 0.998 337 V HN 0.732 nan 8.190 nan 0.000 0.423 338 V N 5.467 125.368 119.914 -0.023 0.000 2.483 338 V HA 0.673 4.790 4.120 -0.005 0.000 0.297 338 V C -0.425 175.261 176.094 -0.679 0.000 1.027 338 V CA -0.458 61.676 62.300 -0.277 0.000 0.855 338 V CB 1.862 33.488 31.823 -0.328 0.000 0.995 338 V HN 1.130 nan 8.190 nan 0.000 0.424 339 N N 2.035 120.321 118.700 -0.691 0.000 3.418 339 N HA 0.252 4.990 4.740 -0.005 0.000 0.316 339 N C 0.793 175.958 175.510 -0.575 0.000 1.601 339 N CA -0.490 52.035 53.050 -0.875 0.000 0.805 339 N CB 0.671 38.997 38.487 -0.268 0.000 1.873 339 N HN 0.409 nan 8.380 nan 0.000 0.615 340 E N -0.696 119.329 120.200 -0.292 0.000 2.171 340 E HA -0.266 4.081 4.350 -0.005 0.000 0.197 340 E C 0.349 176.826 176.600 -0.204 0.000 0.997 340 E CA 1.523 57.819 56.400 -0.174 0.000 0.810 340 E CB -0.279 29.274 29.700 -0.245 0.000 0.738 340 E HN 0.668 nan 8.360 nan 0.000 0.467 341 H N -1.156 117.953 119.070 0.065 0.000 2.548 341 H HA 0.302 4.855 4.556 -0.006 0.000 0.265 341 H C 0.772 176.131 175.328 0.051 0.000 0.969 341 H CA -0.035 56.075 56.048 0.104 0.000 1.155 341 H CB 0.865 30.733 29.762 0.178 0.000 1.394 341 H HN 0.303 nan 8.280 nan 0.000 0.570 342 G N 0.077 108.871 108.800 -0.010 0.000 2.325 342 G HA2 -0.006 3.951 3.960 -0.005 0.000 0.285 342 G HA3 -0.006 3.951 3.960 -0.005 0.000 0.285 342 G C -1.554 173.033 174.900 -0.521 0.000 1.303 342 G CA -1.266 43.653 45.100 -0.302 0.000 0.970 342 G HN 0.142 nan 8.290 nan 0.000 0.490 343 R N -0.496 119.588 120.500 -0.694 0.000 2.445 343 R HA 0.700 5.037 4.340 -0.005 0.000 0.308 343 R C -1.364 174.556 176.300 -0.634 0.000 0.961 343 R CA -0.431 55.395 56.100 -0.456 0.000 0.862 343 R CB 1.377 31.593 30.300 -0.140 0.000 1.144 343 R HN 0.316 nan 8.270 nan 0.000 0.447 344 F N 1.815 121.790 119.950 0.042 0.000 2.576 344 F HA 0.487 5.015 4.527 0.001 0.000 0.313 344 F C -0.591 175.253 175.800 0.072 0.000 1.078 344 F CA -1.162 56.887 58.000 0.082 0.000 0.921 344 F CB 1.538 40.530 39.000 -0.014 0.000 1.232 344 F HN 0.342 nan 8.300 nan 0.000 0.459 345 F N 3.484 123.536 119.950 0.171 0.000 2.518 345 F HA 0.801 5.325 4.527 -0.005 0.000 0.323 345 F C -1.867 173.952 175.800 0.032 0.000 1.129 345 F CA -0.905 57.109 58.000 0.023 0.000 0.920 345 F CB 1.088 40.061 39.000 -0.044 0.000 1.160 345 F HN 0.334 nan 8.300 nan 0.000 0.440 346 L N 6.289 126.984 121.223 -0.879 0.000 2.386 346 L HA 0.565 4.902 4.340 -0.005 0.000 0.271 346 L C -0.250 176.091 176.870 -0.882 0.000 0.993 346 L CA -1.018 53.410 54.840 -0.686 0.000 0.819 346 L CB 2.198 43.916 42.059 -0.570 0.000 1.294 346 L HN 0.586 nan 8.230 nan 0.000 0.414 347 R N 3.404 123.613 120.500 -0.484 0.000 2.491 347 R HA 0.138 4.475 4.340 -0.005 0.000 0.283 347 R C -1.418 174.732 176.300 -0.250 0.000 1.072 347 R CA -1.379 54.553 56.100 -0.280 0.000 1.048 347 R CB 0.881 31.143 30.300 -0.064 0.000 0.983 347 R HN 0.387 nan 8.270 nan 0.000 0.450 348 P HA -0.187 nan 4.420 nan 0.000 0.215 348 P C 0.101 177.354 177.300 -0.077 0.000 1.153 348 P CA 1.484 64.515 63.100 -0.115 0.000 0.853 348 P CB 0.316 31.987 31.700 -0.050 0.000 0.788 349 E N -0.297 119.872 120.200 -0.051 0.000 2.118 349 E HA -0.124 4.223 4.350 -0.005 0.000 0.195 349 E C 2.100 178.672 176.600 -0.047 0.000 0.992 349 E CA 1.753 58.135 56.400 -0.030 0.000 0.804 349 E CB -1.544 28.148 29.700 -0.014 0.000 0.741 349 E HN 0.291 nan 8.360 nan 0.000 0.458 350 T N 0.496 114.999 114.554 -0.085 0.000 2.668 350 T HA -0.040 4.307 4.350 -0.005 0.000 0.258 350 T C 2.020 176.631 174.700 -0.148 0.000 1.051 350 T CA 1.276 63.313 62.100 -0.105 0.000 1.155 350 T CB -0.606 68.185 68.868 -0.128 0.000 0.864 350 T HN 0.294 nan 8.240 nan 0.000 0.413 351 A N 1.667 124.323 122.820 -0.273 0.000 1.873 351 A HA -0.077 4.240 4.320 -0.005 0.000 0.218 351 A C 2.219 179.746 177.584 -0.095 0.000 1.193 351 A CA 1.568 53.328 52.037 -0.462 0.000 0.629 351 A CB -1.169 17.299 19.000 -0.886 0.000 0.826 351 A HN 0.512 nan 8.150 nan 0.000 0.447 352 L N -1.203 120.021 121.223 0.001 0.000 2.549 352 L HA -0.059 4.278 4.340 -0.005 0.000 0.229 352 L C 2.381 179.301 176.870 0.083 0.000 1.158 352 L CA 0.591 55.502 54.840 0.118 0.000 0.842 352 L CB -0.366 41.742 42.059 0.083 0.000 0.952 352 L HN 0.483 nan 8.230 nan 0.000 0.452 353 A N -1.363 121.481 122.820 0.039 0.000 2.343 353 A HA 0.019 4.336 4.320 -0.005 0.000 0.223 353 A C 0.415 178.022 177.584 0.038 0.000 1.214 353 A CA -0.209 51.847 52.037 0.032 0.000 0.900 353 A CB -0.079 18.926 19.000 0.009 0.000 0.942 353 A HN 0.267 nan 8.150 nan 0.000 0.507 354 D N 0.716 121.148 120.400 0.054 0.000 2.339 354 D HA 0.269 4.906 4.640 -0.005 0.000 0.241 354 D C -1.170 175.195 176.300 0.108 0.000 1.183 354 D CA -1.842 52.196 54.000 0.063 0.000 0.859 354 D CB 1.417 42.245 40.800 0.046 0.000 1.067 354 D HN 0.049 nan 8.370 nan 0.000 0.484 355 P HA -0.203 nan 4.420 nan 0.000 0.219 355 P C 0.867 178.215 177.300 0.080 0.000 1.146 355 P CA 1.114 64.253 63.100 0.066 0.000 0.808 355 P CB 0.422 32.145 31.700 0.039 0.000 0.779 356 Q N -1.102 118.751 119.800 0.087 0.000 2.079 356 Q HA -0.077 4.260 4.340 -0.005 0.000 0.200 356 Q C 2.034 178.126 176.000 0.154 0.000 0.974 356 Q CA 1.201 57.058 55.803 0.092 0.000 0.840 356 Q CB -1.196 27.576 28.738 0.057 0.000 0.898 356 Q HN 0.219 nan 8.270 nan 0.000 0.430 357 F N -0.088 119.879 119.950 0.028 0.000 2.146 357 F HA -0.140 4.384 4.527 -0.005 0.000 0.298 357 F C 1.821 177.721 175.800 0.167 0.000 1.096 357 F CA 0.810 58.854 58.000 0.073 0.000 1.275 357 F CB -0.187 38.811 39.000 -0.005 0.000 1.008 357 F HN -0.151 nan 8.300 nan 0.000 0.480 358 V N 0.375 120.371 119.914 0.138 0.000 2.407 358 V HA -0.297 3.820 4.120 -0.005 0.000 0.248 358 V C 2.679 178.757 176.094 -0.027 0.000 1.055 358 V CA 1.699 64.016 62.300 0.029 0.000 1.049 358 V CB -1.529 30.335 31.823 0.068 0.000 0.662 358 V HN 0.461 nan 8.190 nan 0.000 0.455 359 A N -0.945 121.888 122.820 0.021 0.000 1.898 359 A HA -0.261 4.056 4.320 -0.005 0.000 0.216 359 A C 1.950 179.533 177.584 -0.002 0.000 1.181 359 A CA 1.757 53.799 52.037 0.008 0.000 0.620 359 A CB -0.861 18.161 19.000 0.037 0.000 0.819 359 A HN 0.728 nan 8.150 nan 0.000 0.442 360 W N 0.776 121.970 121.300 -0.177 0.000 2.358 360 W HA -0.158 4.499 4.660 -0.005 0.000 0.303 360 W C 1.705 178.065 176.519 -0.265 0.000 1.208 360 W CA 1.863 59.083 57.345 -0.209 0.000 1.274 360 W CB -0.339 28.973 29.460 -0.247 0.000 1.138 360 W HN 0.247 nan 8.180 nan 0.000 0.515 361 L N 0.239 121.265 121.223 -0.327 0.000 2.042 361 L HA -0.130 4.207 4.340 -0.005 0.000 0.210 361 L C 2.495 179.127 176.870 -0.397 0.000 1.076 361 L CA 1.605 56.151 54.840 -0.490 0.000 0.749 361 L CB -1.397 40.460 42.059 -0.336 0.000 0.893 361 L HN 0.252 nan 8.230 nan 0.000 0.432 362 G N -1.869 106.776 108.800 -0.259 0.000 2.985 362 G HA2 -0.121 3.836 3.960 -0.005 0.000 0.209 362 G HA3 -0.121 3.836 3.960 -0.005 0.000 0.209 362 G C 0.252 175.035 174.900 -0.194 0.000 1.165 362 G CA -0.205 44.776 45.100 -0.199 0.000 0.776 362 G HN 0.153 nan 8.290 nan 0.000 0.541 363 D N 0.849 121.103 120.400 -0.243 0.000 2.352 363 D HA 0.064 4.702 4.640 -0.005 0.000 0.245 363 D C 1.148 177.311 176.300 -0.227 0.000 1.224 363 D CA -0.277 53.605 54.000 -0.197 0.000 0.879 363 D CB 0.953 41.651 40.800 -0.170 0.000 1.057 363 D HN 0.348 nan 8.370 nan 0.000 0.491 364 E N 1.794 121.899 120.200 -0.158 0.000 2.333 364 E HA -0.166 4.181 4.350 -0.005 0.000 0.198 364 E C 1.288 177.816 176.600 -0.120 0.000 1.007 364 E CA 1.073 57.389 56.400 -0.141 0.000 0.845 364 E CB 0.329 29.969 29.700 -0.100 0.000 0.766 364 E HN 0.555 nan 8.360 nan 0.000 0.507 365 T N -1.749 112.743 114.554 -0.103 0.000 3.081 365 T HA 0.078 4.425 4.350 -0.005 0.000 0.255 365 T C 0.659 175.318 174.700 -0.068 0.000 1.113 365 T CA -0.145 61.916 62.100 -0.065 0.000 1.082 365 T CB 0.204 69.052 68.868 -0.034 0.000 0.939 365 T HN -0.167 nan 8.240 nan 0.000 0.506 366 K N 2.812 123.123 120.400 -0.148 0.000 2.268 366 K HA 0.345 4.662 4.320 -0.005 0.000 0.276 366 K C -0.340 176.121 176.600 -0.232 0.000 1.080 366 K CA -0.377 55.806 56.287 -0.174 0.000 0.910 366 K CB 1.114 33.362 32.500 -0.420 0.000 1.163 366 K HN 0.191 nan 8.250 nan 0.000 0.465 367 K N 2.641 122.998 120.400 -0.073 0.000 2.249 367 K HA 0.251 4.568 4.320 -0.005 0.000 0.280 367 K C -0.082 176.519 176.600 0.002 0.000 1.033 367 K CA -0.527 55.733 56.287 -0.045 0.000 0.946 367 K CB 0.730 33.241 32.500 0.018 0.000 1.005 367 K HN 0.259 nan 8.250 nan 0.000 0.469 368 K N 0.563 120.946 120.400 -0.027 0.000 2.316 368 K HA 0.391 4.708 4.320 -0.005 0.000 0.251 368 K C -0.752 175.918 176.600 0.116 0.000 0.934 368 K CA -0.451 55.866 56.287 0.050 0.000 0.802 368 K CB 1.982 34.441 32.500 -0.068 0.000 1.171 368 K HN 0.315 nan 8.250 nan 0.000 0.426 369 S N 2.732 118.557 115.700 0.209 0.000 2.454 369 S HA 0.652 5.119 4.470 -0.005 0.000 0.306 369 S C -0.629 174.105 174.600 0.223 0.000 1.100 369 S CA -0.801 57.566 58.200 0.277 0.000 1.087 369 S CB 0.469 63.873 63.200 0.340 0.000 1.019 369 S HN 0.471 nan 8.310 nan 0.000 0.480 370 M N 1.862 121.550 119.600 0.146 0.000 2.948 370 M HA 0.583 5.060 4.480 -0.005 0.000 0.278 370 M C -1.657 174.684 176.300 0.069 0.000 1.293 370 M CA -0.736 54.627 55.300 0.104 0.000 0.777 370 M CB 1.631 34.256 32.600 0.042 0.000 1.713 370 M HN 0.600 nan 8.290 nan 0.000 0.444 371 F N 1.592 121.504 119.950 -0.064 0.000 2.499 371 F HA 0.370 4.895 4.527 -0.004 0.000 0.333 371 F C -0.445 175.306 175.800 -0.081 0.000 1.138 371 F CA -0.174 57.768 58.000 -0.095 0.000 0.945 371 F CB 0.902 39.863 39.000 -0.064 0.000 1.181 371 F HN 0.714 nan 8.300 nan 0.000 0.435 372 D N 3.401 123.513 120.400 -0.480 0.000 2.848 372 D HA -0.215 4.422 4.640 -0.005 0.000 0.245 372 D C 0.981 177.180 176.300 -0.169 0.000 1.122 372 D CA 1.017 54.834 54.000 -0.305 0.000 0.769 372 D CB -0.722 39.992 40.800 -0.144 0.000 1.025 372 D HN 0.626 nan 8.370 nan 0.000 0.423 373 S N 0.573 116.166 115.700 -0.178 0.000 2.419 373 S HA -0.229 4.238 4.470 -0.005 0.000 0.233 373 S C 1.866 176.361 174.600 -0.175 0.000 1.016 373 S CA 1.394 59.509 58.200 -0.142 0.000 0.974 373 S CB -0.001 63.121 63.200 -0.131 0.000 0.786 373 S HN 0.548 nan 8.310 nan 0.000 0.492 374 K N 1.835 122.120 120.400 -0.192 0.000 2.057 374 K HA -0.120 4.197 4.320 -0.005 0.000 0.207 374 K C 2.516 178.860 176.600 -0.427 0.000 1.049 374 K CA 1.295 57.454 56.287 -0.213 0.000 0.931 374 K CB -0.261 32.164 32.500 -0.126 0.000 0.714 374 K HN 0.471 nan 8.250 nan 0.000 0.440 375 R N 0.174 120.355 120.500 -0.532 0.000 2.083 375 R HA -0.163 4.174 4.340 -0.005 0.000 0.237 375 R C 2.099 178.061 176.300 -0.563 0.000 1.137 375 R CA 1.664 57.208 56.100 -0.927 0.000 0.951 375 R CB -0.431 29.628 30.300 -0.403 0.000 0.851 375 R HN 0.286 nan 8.270 nan 0.000 0.434 376 A N 0.743 123.395 122.820 -0.280 0.000 1.873 376 A HA -0.033 4.284 4.320 -0.005 0.000 0.215 376 A C 2.429 179.919 177.584 -0.156 0.000 1.186 376 A CA 1.543 53.487 52.037 -0.155 0.000 0.616 376 A CB -0.887 18.064 19.000 -0.081 0.000 0.823 376 A HN 0.571 nan 8.150 nan 0.000 0.442 377 A N -0.492 122.219 122.820 -0.182 0.000 1.883 377 A HA -0.067 4.250 4.320 -0.005 0.000 0.217 377 A C 2.253 179.736 177.584 -0.168 0.000 1.186 377 A CA 2.042 53.979 52.037 -0.165 0.000 0.624 377 A CB -1.021 17.886 19.000 -0.157 0.000 0.822 377 A HN 0.417 nan 8.150 nan 0.000 0.444 378 V N -0.302 119.506 119.914 -0.176 0.000 2.307 378 V HA -0.203 3.914 4.120 -0.005 0.000 0.245 378 V C 3.059 179.242 176.094 0.149 0.000 1.045 378 V CA 1.846 64.132 62.300 -0.023 0.000 1.024 378 V CB -1.252 30.620 31.823 0.083 0.000 0.651 378 V HN 0.625 nan 8.190 nan 0.000 0.449 379 A N -0.264 122.591 122.820 0.057 0.000 1.940 379 A HA -0.173 4.144 4.320 -0.005 0.000 0.219 379 A C 2.213 179.870 177.584 0.122 0.000 1.176 379 A CA 1.828 53.950 52.037 0.142 0.000 0.631 379 A CB -0.526 18.495 19.000 0.035 0.000 0.814 379 A HN 0.517 nan 8.150 nan 0.000 0.446 380 L N -1.107 120.122 121.223 0.010 0.000 2.109 380 L HA -0.144 4.194 4.340 -0.005 0.000 0.207 380 L C 2.534 179.352 176.870 -0.088 0.000 1.086 380 L CA 1.370 56.198 54.840 -0.021 0.000 0.760 380 L CB -0.386 41.638 42.059 -0.057 0.000 0.910 380 L HN 0.344 nan 8.230 nan 0.000 0.437 381 K N -0.523 119.734 120.400 -0.239 0.000 2.063 381 K HA -0.213 4.104 4.320 -0.005 0.000 0.208 381 K C 1.866 178.170 176.600 -0.493 0.000 1.048 381 K CA 1.778 57.688 56.287 -0.628 0.000 0.928 381 K CB -0.245 31.478 32.500 -1.295 0.000 0.713 381 K HN 0.271 nan 8.250 nan 0.000 0.442 382 W N 1.211 122.419 121.300 -0.153 0.000 2.525 382 W HA -0.083 4.574 4.660 -0.005 0.000 0.259 382 W C 1.351 177.910 176.519 0.065 0.000 1.253 382 W CA 0.689 58.115 57.345 0.135 0.000 1.262 382 W CB 0.201 29.764 29.460 0.172 0.000 1.122 382 W HN -0.045 nan 8.180 nan 0.000 0.607 383 K N -0.364 120.147 120.400 0.185 0.000 2.372 383 K HA 0.254 4.571 4.320 -0.005 0.000 0.200 383 K C 1.219 177.851 176.600 0.053 0.000 1.022 383 K CA 0.477 56.835 56.287 0.118 0.000 1.125 383 K CB 0.441 32.996 32.500 0.092 0.000 0.855 383 K HN 0.009 nan 8.250 nan 0.000 0.524 384 G N 2.102 110.905 108.800 0.005 0.000 2.221 384 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.265 384 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.265 384 G C -0.070 174.802 174.900 -0.046 0.000 1.041 384 G CA 0.090 45.174 45.100 -0.028 0.000 0.807 384 G HN 0.284 nan 8.290 nan 0.000 0.502 385 I N -0.102 120.427 120.570 -0.068 0.000 2.465 385 I HA 0.378 4.545 4.170 -0.005 0.000 0.291 385 I C 0.230 176.280 176.117 -0.111 0.000 1.014 385 I CA -0.789 60.474 61.300 -0.063 0.000 1.093 385 I CB 1.963 39.950 38.000 -0.021 0.000 1.267 385 I HN 0.166 nan 8.210 nan 0.000 0.431 386 E N 5.811 125.945 120.200 -0.111 0.000 2.227 386 E HA 0.364 4.711 4.350 -0.005 0.000 0.282 386 E C -1.500 175.012 176.600 -0.146 0.000 1.015 386 E CA -0.850 55.469 56.400 -0.134 0.000 0.823 386 E CB 1.718 31.347 29.700 -0.119 0.000 1.081 386 E HN 0.360 nan 8.360 nan 0.000 0.396 387 L N 5.796 126.924 121.223 -0.158 0.000 2.287 387 L HA 0.423 4.760 4.340 -0.005 0.000 0.287 387 L C -1.472 175.289 176.870 -0.180 0.000 1.022 387 L CA -0.228 54.505 54.840 -0.179 0.000 0.814 387 L CB 0.708 42.672 42.059 -0.158 0.000 1.217 387 L HN 0.644 nan 8.230 nan 0.000 0.420 388 C N 2.343 121.513 119.300 -0.217 0.000 3.044 388 C HA 0.836 5.293 4.460 -0.005 0.000 0.315 388 C C 1.087 175.939 174.990 -0.230 0.000 1.320 388 C CA -0.063 58.840 59.018 -0.192 0.000 1.582 388 C CB 1.372 29.010 27.740 -0.170 0.000 2.039 388 C HN 1.105 nan 8.230 nan 0.000 0.466 389 G N 0.398 109.092 108.800 -0.176 0.000 2.136 389 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.242 389 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.242 389 G C -0.133 174.685 174.900 -0.136 0.000 0.989 389 G CA 0.265 45.263 45.100 -0.170 0.000 0.682 389 G HN 0.866 nan 8.290 nan 0.000 0.522 390 V N 2.006 121.850 119.914 -0.117 0.000 2.397 390 V HA 0.390 4.507 4.120 -0.005 0.000 0.262 390 V C 1.549 177.624 176.094 -0.033 0.000 1.047 390 V CA 1.041 63.296 62.300 -0.075 0.000 1.003 390 V CB 1.075 32.845 31.823 -0.087 0.000 1.037 390 V HN 0.849 nan 8.190 nan 0.000 0.480 391 S N 4.156 119.868 115.700 0.019 0.000 2.524 391 S HA 0.288 4.755 4.470 -0.005 0.000 0.215 391 S C -0.150 174.546 174.600 0.159 0.000 0.986 391 S CA -0.172 58.063 58.200 0.059 0.000 0.911 391 S CB 0.124 63.355 63.200 0.053 0.000 0.805 391 S HN 0.565 nan 8.310 nan 0.000 0.501 392 F N 1.603 121.535 119.950 -0.030 0.000 2.623 392 F HA 0.498 5.023 4.527 -0.004 0.000 0.323 392 F C -2.183 173.594 175.800 -0.040 0.000 1.158 392 F CA -0.927 57.056 58.000 -0.028 0.000 1.030 392 F CB 1.643 40.630 39.000 -0.023 0.000 1.280 392 F HN -0.014 nan 8.300 nan 0.000 0.474 393 D N 6.281 126.206 120.400 -0.792 0.000 2.462 393 D HA 0.160 4.797 4.640 -0.005 0.000 0.245 393 D C 0.627 176.345 176.300 -0.970 0.000 1.122 393 D CA -0.298 53.312 54.000 -0.650 0.000 0.864 393 D CB 1.743 42.305 40.800 -0.397 0.000 1.098 393 D HN 0.687 nan 8.370 nan 0.000 0.541 394 L N 5.171 125.905 121.223 -0.814 0.000 2.127 394 L HA -0.121 4.216 4.340 -0.005 0.000 0.211 394 L C 1.859 178.476 176.870 -0.423 0.000 1.089 394 L CA 1.510 56.007 54.840 -0.572 0.000 0.757 394 L CB -0.581 41.438 42.059 -0.067 0.000 0.899 394 L HN 0.534 nan 8.230 nan 0.000 0.434 395 L N -0.981 119.811 121.223 -0.718 0.000 2.017 395 L HA -0.176 4.161 4.340 -0.005 0.000 0.208 395 L C 2.255 178.934 176.870 -0.318 0.000 1.073 395 L CA 1.859 56.214 54.840 -0.808 0.000 0.745 395 L CB -0.610 40.657 42.059 -1.321 0.000 0.894 395 L HN 0.278 nan 8.230 nan 0.000 0.432 396 L N -0.592 120.444 121.223 -0.311 0.000 2.093 396 L HA -0.129 4.208 4.340 -0.005 0.000 0.208 396 L C 2.694 179.565 176.870 0.001 0.000 1.085 396 L CA 1.005 55.781 54.840 -0.106 0.000 0.755 396 L CB -1.022 40.951 42.059 -0.143 0.000 0.904 396 L HN 0.394 nan 8.230 nan 0.000 0.435 397 A N 0.344 123.099 122.820 -0.109 0.000 1.877 397 A HA -0.182 4.135 4.320 -0.005 0.000 0.216 397 A C 2.564 180.312 177.584 0.272 0.000 1.186 397 A CA 1.839 53.928 52.037 0.086 0.000 0.620 397 A CB -0.747 18.309 19.000 0.094 0.000 0.822 397 A HN 0.384 nan 8.150 nan 0.000 0.443 398 A N -1.483 121.503 122.820 0.277 0.000 1.902 398 A HA -0.130 4.188 4.320 -0.005 0.000 0.217 398 A C 2.157 179.906 177.584 0.274 0.000 1.181 398 A CA 1.769 54.052 52.037 0.409 0.000 0.623 398 A CB -0.905 18.318 19.000 0.372 0.000 0.818 398 A HN 0.774 nan 8.150 nan 0.000 0.443 399 Y N 0.614 120.964 120.300 0.083 0.000 2.165 399 Y HA -0.195 4.352 4.550 -0.005 0.000 0.286 399 Y C 1.909 177.847 175.900 0.063 0.000 1.155 399 Y CA 1.890 60.024 58.100 0.057 0.000 1.164 399 Y CB -0.366 38.097 38.460 0.006 0.000 0.978 399 Y HN 0.222 nan 8.280 nan 0.000 0.513 400 L N -0.741 120.475 121.223 -0.011 0.000 2.093 400 L HA -0.215 4.122 4.340 -0.005 0.000 0.208 400 L C 2.470 179.300 176.870 -0.068 0.000 1.085 400 L CA 0.985 55.757 54.840 -0.114 0.000 0.755 400 L CB -0.559 41.505 42.059 0.009 0.000 0.904 400 L HN 0.277 nan 8.230 nan 0.000 0.435 401 L N -0.860 120.383 121.223 0.034 0.000 2.083 401 L HA -0.103 4.235 4.340 -0.005 0.000 0.209 401 L C 0.258 177.181 176.870 0.088 0.000 1.083 401 L CA 0.941 55.807 54.840 0.044 0.000 0.752 401 L CB -0.068 42.019 42.059 0.046 0.000 0.899 401 L HN 0.272 nan 8.230 nan 0.000 0.433 402 D N -2.399 118.041 120.400 0.068 0.000 2.296 402 D HA 0.133 4.770 4.640 -0.005 0.000 0.224 402 D C -2.159 174.174 176.300 0.055 0.000 1.324 402 D CA -1.094 52.970 54.000 0.107 0.000 0.940 402 D CB 1.158 42.018 40.800 0.099 0.000 1.492 402 D HN -0.256 nan 8.370 nan 0.000 0.531 403 P HA -0.038 nan 4.420 nan 0.000 0.219 403 P C 1.163 178.526 177.300 0.105 0.000 1.146 403 P CA 1.135 64.226 63.100 -0.015 0.000 0.808 403 P CB 0.329 31.924 31.700 -0.174 0.000 0.779 404 A N -0.526 122.343 122.820 0.083 0.000 2.067 404 A HA -0.191 4.126 4.320 -0.005 0.000 0.219 404 A C 2.136 179.770 177.584 0.083 0.000 1.158 404 A CA 1.161 53.245 52.037 0.079 0.000 0.661 404 A CB -0.952 18.089 19.000 0.068 0.000 0.801 404 A HN 0.087 nan 8.150 nan 0.000 0.452 405 Q N -1.018 118.838 119.800 0.094 0.000 2.291 405 Q HA -0.029 4.308 4.340 -0.005 0.000 0.205 405 Q C 1.415 177.484 176.000 0.115 0.000 0.970 405 Q CA 0.937 56.797 55.803 0.095 0.000 0.876 405 Q CB -0.630 28.171 28.738 0.106 0.000 0.935 405 Q HN 0.980 nan 8.270 nan 0.000 0.455 406 G N 0.750 109.634 108.800 0.140 0.000 2.249 406 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.273 406 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.273 406 G C 0.133 175.127 174.900 0.157 0.000 1.036 406 G CA 0.336 45.522 45.100 0.143 0.000 0.824 406 G HN 0.227 nan 8.290 nan 0.000 0.504 407 V N 1.170 121.198 119.914 0.190 0.000 2.475 407 V HA 0.268 4.385 4.120 -0.005 0.000 0.292 407 V C 1.098 177.345 176.094 0.257 0.000 1.003 407 V CA 1.429 63.864 62.300 0.225 0.000 1.120 407 V CB 0.891 32.877 31.823 0.272 0.000 0.937 407 V HN 0.675 nan 8.190 nan 0.000 0.476 408 D N 1.652 122.207 120.400 0.258 0.000 2.582 408 D HA 0.203 4.841 4.640 -0.005 0.000 0.246 408 D C -0.245 176.256 176.300 0.335 0.000 1.334 408 D CA -0.280 53.897 54.000 0.295 0.000 0.805 408 D CB 0.387 41.297 40.800 0.182 0.000 1.087 408 D HN 0.633 nan 8.370 nan 0.000 0.499 409 D N -1.774 118.750 120.400 0.207 0.000 2.622 409 D HA 0.066 4.703 4.640 -0.005 0.000 0.255 409 D C 0.810 176.697 176.300 -0.688 0.000 1.246 409 D CA -0.846 52.990 54.000 -0.272 0.000 0.795 409 D CB 1.196 41.952 40.800 -0.073 0.000 1.369 409 D HN -0.222 nan 8.370 nan 0.000 0.425 410 V N 0.876 120.153 119.914 -1.061 0.000 2.332 410 V HA -0.214 3.903 4.120 -0.005 0.000 0.248 410 V C 2.640 178.594 176.094 -0.233 0.000 1.055 410 V CA 2.881 64.748 62.300 -0.722 0.000 1.038 410 V CB -1.155 30.357 31.823 -0.518 0.000 0.651 410 V HN 0.799 nan 8.190 nan 0.000 0.450 411 A N 0.049 122.796 122.820 -0.123 0.000 1.883 411 A HA -0.193 4.124 4.320 -0.005 0.000 0.217 411 A C 2.453 180.069 177.584 0.053 0.000 1.186 411 A CA 2.378 54.423 52.037 0.013 0.000 0.624 411 A CB -0.898 18.124 19.000 0.037 0.000 0.822 411 A HN 0.608 nan 8.150 nan 0.000 0.444 412 A N -0.353 122.493 122.820 0.045 0.000 1.902 412 A HA 0.141 4.459 4.320 -0.005 0.000 0.217 412 A C 2.498 180.175 177.584 0.154 0.000 1.181 412 A CA 2.223 54.320 52.037 0.100 0.000 0.623 412 A CB -0.969 18.100 19.000 0.115 0.000 0.818 412 A HN 1.085 nan 8.150 nan 0.000 0.443 413 A N -0.260 122.660 122.820 0.167 0.000 1.898 413 A HA 0.233 4.551 4.320 -0.005 0.000 0.216 413 A C 2.493 180.264 177.584 0.311 0.000 1.181 413 A CA 1.860 54.058 52.037 0.268 0.000 0.620 413 A CB -0.988 18.141 19.000 0.216 0.000 0.819 413 A HN 1.056 nan 8.150 nan 0.000 0.442 414 A N -0.280 122.648 122.820 0.180 0.000 1.972 414 A HA -0.170 4.147 4.320 -0.005 0.000 0.219 414 A C 2.087 179.829 177.584 0.264 0.000 1.169 414 A CA 1.969 54.135 52.037 0.215 0.000 0.635 414 A CB -0.435 18.674 19.000 0.181 0.000 0.810 414 A HN 0.531 nan 8.150 nan 0.000 0.446 415 K N -0.861 119.661 120.400 0.203 0.000 2.209 415 K HA -0.051 4.267 4.320 -0.005 0.000 0.204 415 K C 1.904 178.587 176.600 0.138 0.000 1.048 415 K CA 1.338 57.719 56.287 0.156 0.000 0.940 415 K CB -0.243 32.325 32.500 0.113 0.000 0.729 415 K HN 0.529 nan 8.250 nan 0.000 0.451 416 M N 0.294 119.994 119.600 0.166 0.000 2.267 416 M HA -0.144 4.333 4.480 -0.005 0.000 0.263 416 M C 0.895 177.224 176.300 0.048 0.000 1.063 416 M CA 1.380 56.739 55.300 0.099 0.000 1.090 416 M CB 0.236 32.910 32.600 0.122 0.000 1.392 416 M HN -0.117 nan 8.290 nan 0.000 0.422 417 K N 0.306 120.779 120.400 0.122 0.000 2.593 417 K HA 0.138 4.455 4.320 -0.005 0.000 0.208 417 K C -0.002 176.678 176.600 0.133 0.000 1.051 417 K CA 0.104 56.448 56.287 0.094 0.000 1.111 417 K CB 0.677 33.262 32.500 0.141 0.000 0.849 417 K HN 0.228 nan 8.250 nan 0.000 0.479 418 Q N -0.969 118.903 119.800 0.120 0.000 2.480 418 Q HA -0.267 4.070 4.340 -0.005 0.000 0.265 418 Q C -0.655 175.428 176.000 0.140 0.000 1.072 418 Q CA 0.936 56.800 55.803 0.101 0.000 1.018 418 Q CB -2.968 25.805 28.738 0.059 0.000 1.433 418 Q HN 0.510 nan 8.270 nan 0.000 0.513 419 Y N 0.391 120.730 120.300 0.066 0.000 2.342 419 Y HA 0.312 4.862 4.550 0.000 0.000 0.338 419 Y C 0.777 176.710 175.900 0.056 0.000 0.965 419 Y CA -0.258 57.882 58.100 0.066 0.000 1.159 419 Y CB 0.851 39.366 38.460 0.091 0.000 1.157 419 Y HN 0.024 nan 8.280 nan 0.000 0.486 420 E N 3.848 123.992 120.200 -0.094 0.000 2.812 420 E HA 0.231 4.578 4.350 -0.005 0.000 0.211 420 E C 0.216 176.769 176.600 -0.079 0.000 0.986 420 E CA -0.135 56.260 56.400 -0.008 0.000 1.119 420 E CB 0.881 30.577 29.700 -0.007 0.000 1.046 420 E HN 0.636 nan 8.360 nan 0.000 0.474 421 A N 1.435 124.091 122.820 -0.273 0.000 2.840 421 A HA 0.307 4.624 4.320 -0.005 0.000 0.269 421 A C 0.008 177.638 177.584 0.077 0.000 1.439 421 A CA -0.002 51.936 52.037 -0.166 0.000 1.083 421 A CB 0.023 18.813 19.000 -0.349 0.000 1.019 421 A HN 0.114 nan 8.150 nan 0.000 0.607 422 V N -0.341 119.645 119.914 0.121 0.000 3.000 422 V HA 0.443 4.560 4.120 -0.005 0.000 0.300 422 V C -0.983 175.177 176.094 0.110 0.000 1.251 422 V CA -0.989 61.397 62.300 0.143 0.000 0.972 422 V CB 1.990 33.917 31.823 0.174 0.000 1.065 422 V HN 0.670 nan 8.190 nan 0.000 0.431 423 R N 5.210 125.787 120.500 0.128 0.000 2.500 423 R HA 0.547 4.884 4.340 -0.005 0.000 0.275 423 R C -2.563 173.786 176.300 0.082 0.000 1.051 423 R CA -1.636 54.499 56.100 0.059 0.000 1.088 423 R CB 0.946 31.220 30.300 -0.044 0.000 1.063 423 R HN 0.489 nan 8.270 nan 0.000 0.511 424 P HA 0.007 nan 4.420 nan 0.000 0.271 424 P C -0.261 177.027 177.300 -0.021 0.000 1.218 424 P CA -0.129 62.984 63.100 0.022 0.000 0.780 424 P CB 0.635 32.341 31.700 0.010 0.000 0.901 425 D N 1.244 121.678 120.400 0.057 0.000 2.123 425 D HA -0.196 4.441 4.640 -0.005 0.000 0.196 425 D C 1.571 177.875 176.300 0.006 0.000 0.992 425 D CA 1.415 55.465 54.000 0.083 0.000 0.833 425 D CB -0.229 40.748 40.800 0.295 0.000 0.954 425 D HN 0.600 nan 8.370 nan 0.000 0.455 426 E N 0.348 120.575 120.200 0.046 0.000 2.160 426 E HA -0.172 4.175 4.350 -0.005 0.000 0.195 426 E C 1.907 178.487 176.600 -0.033 0.000 0.991 426 E CA 1.029 57.453 56.400 0.040 0.000 0.810 426 E CB 0.034 29.760 29.700 0.043 0.000 0.742 426 E HN 0.192 nan 8.360 nan 0.000 0.466 427 A N 0.160 122.927 122.820 -0.088 0.000 1.969 427 A HA -0.087 4.230 4.320 -0.005 0.000 0.218 427 A C 2.269 179.730 177.584 -0.206 0.000 1.169 427 A CA 1.201 53.168 52.037 -0.118 0.000 0.635 427 A CB -0.196 18.739 19.000 -0.109 0.000 0.810 427 A HN 0.215 nan 8.150 nan 0.000 0.445 428 V N -2.000 117.681 119.914 -0.388 0.000 2.379 428 V HA -0.153 3.965 4.120 -0.005 0.000 0.243 428 V C 2.062 177.877 176.094 -0.465 0.000 1.035 428 V CA 1.446 63.387 62.300 -0.598 0.000 1.035 428 V CB -0.912 30.172 31.823 -1.232 0.000 0.673 428 V HN 0.698 nan 8.190 nan 0.000 0.457 429 Y N 0.378 120.616 120.300 -0.102 0.000 2.478 429 Y HA 0.501 5.049 4.550 -0.003 0.000 0.261 429 Y C 1.612 177.495 175.900 -0.028 0.000 1.127 429 Y CA 0.329 58.402 58.100 -0.045 0.000 1.288 429 Y CB 0.131 38.583 38.460 -0.014 0.000 1.084 429 Y HN 0.367 nan 8.280 nan 0.000 0.530 430 G N 1.866 110.714 108.800 0.079 0.000 2.750 430 G HA2 -0.243 3.715 3.960 -0.005 0.000 0.228 430 G HA3 -0.243 3.715 3.960 -0.005 0.000 0.228 430 G C -0.794 174.149 174.900 0.073 0.000 1.367 430 G CA -0.205 44.927 45.100 0.053 0.000 0.871 430 G HN 0.384 nan 8.290 nan 0.000 0.560 431 K N -0.834 119.595 120.400 0.049 0.000 2.508 431 K HA 0.773 5.090 4.320 -0.005 0.000 0.260 431 K C 0.926 177.545 176.600 0.032 0.000 0.949 431 K CA 0.067 56.381 56.287 0.045 0.000 0.834 431 K CB 1.719 34.244 32.500 0.041 0.000 1.365 431 K HN 2.581 nan 8.250 nan 0.000 0.437 432 G N 1.316 110.132 108.800 0.026 0.000 2.565 432 G HA2 -0.450 3.507 3.960 -0.005 0.000 0.295 432 G HA3 -0.450 3.507 3.960 -0.005 0.000 0.295 432 G C 1.012 175.921 174.900 0.015 0.000 1.165 432 G CA 1.146 46.257 45.100 0.018 0.000 0.977 432 G HN 1.130 nan 8.290 nan 0.000 0.546 433 A N -0.690 122.138 122.820 0.013 0.000 1.933 433 A HA 0.109 4.426 4.320 -0.005 0.000 0.218 433 A C 2.150 179.742 177.584 0.014 0.000 1.175 433 A CA 2.646 54.690 52.037 0.011 0.000 0.628 433 A CB -0.371 18.635 19.000 0.009 0.000 0.814 433 A HN 0.645 nan 8.150 nan 0.000 0.444 434 K N -0.353 120.058 120.400 0.018 0.000 2.487 434 K HA 0.076 4.393 4.320 -0.005 0.000 0.192 434 K C 0.908 177.529 176.600 0.034 0.000 1.027 434 K CA 0.044 56.344 56.287 0.022 0.000 1.054 434 K CB -0.114 32.398 32.500 0.019 0.000 0.824 434 K HN 0.460 nan 8.250 nan 0.000 0.510 435 R N 1.192 121.714 120.500 0.037 0.000 2.404 435 R HA 0.308 4.645 4.340 -0.005 0.000 0.315 435 R C -0.905 175.423 176.300 0.047 0.000 1.032 435 R CA 0.147 56.280 56.100 0.054 0.000 0.992 435 R CB 0.122 30.447 30.300 0.042 0.000 0.959 435 R HN 0.146 nan 8.270 nan 0.000 0.428 436 A N 3.503 126.372 122.820 0.081 0.000 2.610 436 A HA 0.406 4.723 4.320 -0.005 0.000 0.291 436 A C -1.276 176.394 177.584 0.144 0.000 1.086 436 A CA -0.777 51.302 52.037 0.070 0.000 0.677 436 A CB 1.586 20.617 19.000 0.051 0.000 1.278 436 A HN 0.424 nan 8.150 nan 0.000 0.414 437 V N 2.579 122.560 119.914 0.110 0.000 2.488 437 V HA 0.327 4.444 4.120 -0.005 0.000 0.277 437 V C -1.752 174.431 176.094 0.148 0.000 1.046 437 V CA -0.609 61.801 62.300 0.183 0.000 0.986 437 V CB 0.472 32.359 31.823 0.106 0.000 0.989 437 V HN 0.835 nan 8.190 nan 0.000 0.475 438 P HA 0.213 nan 4.420 nan 0.000 0.275 438 P C -0.424 176.906 177.300 0.050 0.000 1.266 438 P CA -0.624 62.513 63.100 0.062 0.000 0.793 438 P CB 0.406 32.107 31.700 0.001 0.000 1.074 439 D N 0.082 120.494 120.400 0.019 0.000 2.368 439 D HA -0.052 4.585 4.640 -0.005 0.000 0.240 439 D C 1.282 177.580 176.300 -0.003 0.000 1.169 439 D CA 0.100 54.108 54.000 0.014 0.000 0.906 439 D CB 0.437 41.239 40.800 0.003 0.000 1.187 439 D HN 0.505 nan 8.370 nan 0.000 0.435 440 E N 1.099 121.298 120.200 -0.002 0.000 2.136 440 E HA -0.209 4.138 4.350 -0.005 0.000 0.202 440 E C -0.948 175.571 176.600 -0.136 0.000 1.019 440 E CA 1.394 57.762 56.400 -0.054 0.000 0.819 440 E CB -0.343 29.354 29.700 -0.005 0.000 0.739 440 E HN 0.273 nan 8.360 nan 0.000 0.458 441 P HA -0.150 nan 4.420 nan 0.000 0.215 441 P C 1.435 178.705 177.300 -0.050 0.000 1.153 441 P CA 1.129 64.201 63.100 -0.046 0.000 0.853 441 P CB 0.074 31.762 31.700 -0.021 0.000 0.788 442 V N -0.595 119.287 119.914 -0.053 0.000 2.323 442 V HA -0.180 3.937 4.120 -0.005 0.000 0.244 442 V C 2.377 178.429 176.094 -0.071 0.000 1.041 442 V CA 1.367 63.634 62.300 -0.056 0.000 1.025 442 V CB -1.242 30.544 31.823 -0.061 0.000 0.656 442 V HN 0.039 nan 8.190 nan 0.000 0.451 443 L N 1.178 122.360 121.223 -0.069 0.000 2.012 443 L HA -0.123 4.214 4.340 -0.005 0.000 0.210 443 L C 2.454 179.238 176.870 -0.143 0.000 1.073 443 L CA 2.526 57.355 54.840 -0.017 0.000 0.748 443 L CB -1.011 41.081 42.059 0.054 0.000 0.891 443 L HN 0.218 nan 8.230 nan 0.000 0.431 444 A N -0.841 121.692 122.820 -0.480 0.000 1.902 444 A HA -0.284 4.033 4.320 -0.005 0.000 0.217 444 A C 2.349 179.549 177.584 -0.640 0.000 1.181 444 A CA 1.872 53.345 52.037 -0.940 0.000 0.623 444 A CB -0.802 17.421 19.000 -1.295 0.000 0.818 444 A HN 0.653 nan 8.150 nan 0.000 0.443 445 E N -1.349 118.657 120.200 -0.323 0.000 2.106 445 E HA -0.274 4.073 4.350 -0.005 0.000 0.192 445 E C 1.899 178.427 176.600 -0.119 0.000 0.984 445 E CA 1.307 57.593 56.400 -0.190 0.000 0.806 445 E CB -0.233 29.518 29.700 0.085 0.000 0.750 445 E HN 0.781 nan 8.360 nan 0.000 0.458 446 H N 0.705 119.678 119.070 -0.161 0.000 2.321 446 H HA -0.079 4.473 4.556 -0.006 0.000 0.300 446 H C 1.983 177.262 175.328 -0.082 0.000 1.087 446 H CA 1.942 57.919 56.048 -0.118 0.000 1.319 446 H CB -0.299 29.371 29.762 -0.153 0.000 1.379 446 H HN 0.154 nan 8.280 nan 0.000 0.501 447 L N -0.573 120.555 121.223 -0.159 0.000 2.083 447 L HA -0.135 4.202 4.340 -0.005 0.000 0.209 447 L C 2.526 179.311 176.870 -0.142 0.000 1.083 447 L CA 1.040 55.797 54.840 -0.138 0.000 0.752 447 L CB -0.482 41.627 42.059 0.084 0.000 0.899 447 L HN 0.219 nan 8.230 nan 0.000 0.433 448 V N -0.156 119.629 119.914 -0.215 0.000 2.427 448 V HA -0.223 3.894 4.120 -0.005 0.000 0.248 448 V C 2.601 178.631 176.094 -0.108 0.000 1.051 448 V CA 1.540 63.710 62.300 -0.217 0.000 1.048 448 V CB -0.551 30.974 31.823 -0.496 0.000 0.666 448 V HN 0.401 nan 8.190 nan 0.000 0.456 449 R N -0.144 120.300 120.500 -0.095 0.000 2.115 449 R HA -0.104 4.233 4.340 -0.005 0.000 0.230 449 R C 2.402 178.692 176.300 -0.016 0.000 1.111 449 R CA 1.130 57.229 56.100 -0.002 0.000 0.976 449 R CB -0.198 30.123 30.300 0.035 0.000 0.870 449 R HN 0.491 nan 8.270 nan 0.000 0.445 450 K N 0.095 120.416 120.400 -0.131 0.000 2.057 450 K HA -0.034 4.283 4.320 -0.005 0.000 0.206 450 K C 2.132 178.701 176.600 -0.053 0.000 1.050 450 K CA 1.236 57.438 56.287 -0.143 0.000 0.935 450 K CB -0.081 32.261 32.500 -0.264 0.000 0.715 450 K HN 0.111 nan 8.250 nan 0.000 0.439 451 A N 1.643 124.449 122.820 -0.024 0.000 1.933 451 A HA -0.094 4.223 4.320 -0.005 0.000 0.218 451 A C 2.372 180.007 177.584 0.086 0.000 1.175 451 A CA 1.786 53.849 52.037 0.044 0.000 0.628 451 A CB -0.548 18.471 19.000 0.032 0.000 0.814 451 A HN 0.326 nan 8.150 nan 0.000 0.444 452 A N -0.083 122.774 122.820 0.062 0.000 1.902 452 A HA 0.172 4.489 4.320 -0.005 0.000 0.217 452 A C 2.504 180.158 177.584 0.116 0.000 1.181 452 A CA 2.035 54.148 52.037 0.127 0.000 0.623 452 A CB -0.998 18.083 19.000 0.134 0.000 0.818 452 A HN 1.018 nan 8.150 nan 0.000 0.443 453 A N 0.041 122.853 122.820 -0.013 0.000 1.877 453 A HA -0.092 4.225 4.320 -0.005 0.000 0.216 453 A C 2.118 179.577 177.584 -0.209 0.000 1.186 453 A CA 1.543 53.371 52.037 -0.348 0.000 0.620 453 A CB -0.644 18.179 19.000 -0.295 0.000 0.822 453 A HN 0.496 nan 8.150 nan 0.000 0.443 454 I N -1.743 118.812 120.570 -0.026 0.000 2.208 454 I HA -0.297 3.870 4.170 -0.005 0.000 0.245 454 I C 2.534 178.723 176.117 0.120 0.000 1.097 454 I CA 1.474 62.818 61.300 0.074 0.000 1.363 454 I CB -0.360 37.735 38.000 0.160 0.000 1.051 454 I HN 0.710 nan 8.210 nan 0.000 0.413 455 W N 2.126 123.404 121.300 -0.036 0.000 2.338 455 W HA -0.284 4.370 4.660 -0.010 0.000 0.304 455 W C 2.414 178.897 176.519 -0.060 0.000 1.212 455 W CA 2.080 59.409 57.345 -0.026 0.000 1.264 455 W CB 0.024 29.487 29.460 0.006 0.000 1.142 455 W HN 0.178 nan 8.180 nan 0.000 0.512 456 E N 0.602 120.810 120.200 0.013 0.000 2.112 456 E HA -0.145 4.202 4.350 -0.005 0.000 0.190 456 E C 2.153 178.674 176.600 -0.132 0.000 0.979 456 E CA 1.472 57.821 56.400 -0.085 0.000 0.814 456 E CB -0.862 28.832 29.700 -0.010 0.000 0.762 456 E HN 0.331 nan 8.360 nan 0.000 0.460 457 L N 0.539 121.677 121.223 -0.142 0.000 2.492 457 L HA 0.112 4.449 4.340 -0.005 0.000 0.223 457 L C 2.388 179.238 176.870 -0.033 0.000 1.132 457 L CA 0.612 55.439 54.840 -0.020 0.000 0.850 457 L CB -0.319 41.723 42.059 -0.028 0.000 0.966 457 L HN 0.242 nan 8.230 nan 0.000 0.454 458 E N 1.050 121.070 120.200 -0.300 0.000 2.033 458 E HA -0.323 4.024 4.350 -0.005 0.000 0.199 458 E C 2.291 178.585 176.600 -0.510 0.000 1.011 458 E CA 1.550 57.477 56.400 -0.790 0.000 0.815 458 E CB 0.081 29.249 29.700 -0.886 0.000 0.755 458 E HN 0.178 nan 8.360 nan 0.000 0.451 459 R N 0.638 120.940 120.500 -0.329 0.000 2.080 459 R HA -0.090 4.248 4.340 -0.005 0.000 0.236 459 R C -0.852 175.395 176.300 -0.089 0.000 1.137 459 R CA 2.102 58.078 56.100 -0.207 0.000 0.943 459 R CB -1.506 28.684 30.300 -0.183 0.000 0.846 459 R HN 0.259 nan 8.270 nan 0.000 0.431 460 P HA -0.097 nan 4.420 nan 0.000 0.215 460 P C 0.996 178.309 177.300 0.023 0.000 1.153 460 P CA 1.338 64.445 63.100 0.012 0.000 0.853 460 P CB -0.159 31.576 31.700 0.060 0.000 0.788 461 F N -1.122 118.814 119.950 -0.023 0.000 2.146 461 F HA -0.090 4.433 4.527 -0.007 0.000 0.298 461 F C 2.255 178.094 175.800 0.066 0.000 1.096 461 F CA 1.216 59.261 58.000 0.075 0.000 1.275 461 F CB -1.216 37.937 39.000 0.254 0.000 1.008 461 F HN -0.203 nan 8.300 nan 0.000 0.480 462 L N -0.564 120.757 121.223 0.163 0.000 2.083 462 L HA -0.215 4.122 4.340 -0.005 0.000 0.209 462 L C 2.004 178.893 176.870 0.032 0.000 1.083 462 L CA 1.081 55.975 54.840 0.091 0.000 0.752 462 L CB -0.620 41.422 42.059 -0.028 0.000 0.899 462 L HN 0.055 nan 8.230 nan 0.000 0.433 463 D N -0.165 120.232 120.400 -0.005 0.000 2.097 463 D HA -0.217 4.420 4.640 -0.005 0.000 0.195 463 D C 2.046 178.329 176.300 -0.029 0.000 0.989 463 D CA 1.171 55.156 54.000 -0.025 0.000 0.827 463 D CB 0.052 40.828 40.800 -0.040 0.000 0.966 463 D HN 0.347 nan 8.370 nan 0.000 0.456 464 E N 0.166 120.339 120.200 -0.046 0.000 2.072 464 E HA -0.102 4.245 4.350 -0.005 0.000 0.191 464 E C 2.328 178.907 176.600 -0.035 0.000 0.985 464 E CA 0.324 56.685 56.400 -0.065 0.000 0.801 464 E CB -0.042 29.577 29.700 -0.134 0.000 0.750 464 E HN 0.182 nan 8.360 nan 0.000 0.452 465 L N 0.474 121.701 121.223 0.008 0.000 2.042 465 L HA -0.219 4.118 4.340 -0.005 0.000 0.210 465 L C 2.829 179.700 176.870 0.002 0.000 1.076 465 L CA 1.389 56.246 54.840 0.028 0.000 0.749 465 L CB -0.394 41.722 42.059 0.095 0.000 0.893 465 L HN 0.100 nan 8.230 nan 0.000 0.432 466 R N 0.522 121.023 120.500 0.002 0.000 2.083 466 R HA -0.145 4.192 4.340 -0.005 0.000 0.237 466 R C 2.342 178.622 176.300 -0.033 0.000 1.137 466 R CA 1.578 57.669 56.100 -0.014 0.000 0.951 466 R CB -0.309 29.984 30.300 -0.012 0.000 0.851 466 R HN 0.188 nan 8.270 nan 0.000 0.434 467 R N -0.166 120.314 120.500 -0.034 0.000 2.105 467 R HA -0.049 4.289 4.340 -0.005 0.000 0.239 467 R C 1.285 177.555 176.300 -0.050 0.000 1.135 467 R CA 1.501 57.578 56.100 -0.038 0.000 0.967 467 R CB -0.329 29.950 30.300 -0.035 0.000 0.861 467 R HN 0.274 nan 8.270 nan 0.000 0.442 468 N N 0.762 119.426 118.700 -0.061 0.000 2.461 468 N HA -0.050 4.687 4.740 -0.005 0.000 0.188 468 N C -0.451 174.995 175.510 -0.107 0.000 1.134 468 N CA 0.411 53.408 53.050 -0.088 0.000 0.878 468 N CB 0.204 38.633 38.487 -0.097 0.000 0.972 468 N HN 0.193 nan 8.380 nan 0.000 0.456 469 E N -0.606 119.530 120.200 -0.108 0.000 2.513 469 E HA -0.258 4.089 4.350 -0.005 0.000 0.257 469 E C -0.313 176.221 176.600 -0.110 0.000 1.098 469 E CA 0.287 56.583 56.400 -0.173 0.000 0.752 469 E CB -1.592 27.881 29.700 -0.378 0.000 1.324 469 E HN 0.547 nan 8.360 nan 0.000 0.403 470 Q N -0.432 119.351 119.800 -0.028 0.000 2.159 470 Q HA -0.002 4.335 4.340 -0.005 0.000 0.217 470 Q C 1.338 177.365 176.000 0.045 0.000 0.818 470 Q CA 0.224 56.045 55.803 0.030 0.000 1.008 470 Q CB 0.477 29.226 28.738 0.019 0.000 1.148 470 Q HN 0.356 nan 8.270 nan 0.000 0.491 471 D N 1.064 121.484 120.400 0.034 0.000 2.117 471 D HA -0.209 4.428 4.640 -0.005 0.000 0.197 471 D C 1.521 177.853 176.300 0.053 0.000 0.987 471 D CA 0.993 55.023 54.000 0.049 0.000 0.829 471 D CB -0.062 40.757 40.800 0.032 0.000 0.961 471 D HN 0.172 nan 8.370 nan 0.000 0.460 472 R N -0.340 120.190 120.500 0.051 0.000 2.115 472 R HA 0.044 4.382 4.340 -0.005 0.000 0.226 472 R C 2.425 178.757 176.300 0.053 0.000 1.100 472 R CA 0.232 56.363 56.100 0.051 0.000 0.980 472 R CB -0.308 30.027 30.300 0.058 0.000 0.875 472 R HN 0.138 nan 8.270 nan 0.000 0.445 473 L N 1.023 122.286 121.223 0.067 0.000 2.046 473 L HA -0.142 4.195 4.340 -0.005 0.000 0.208 473 L C 1.955 178.852 176.870 0.045 0.000 1.077 473 L CA 1.525 56.399 54.840 0.057 0.000 0.747 473 L CB -0.397 41.701 42.059 0.066 0.000 0.896 473 L HN 0.131 nan 8.230 nan 0.000 0.432 474 L N -1.690 119.563 121.223 0.051 0.000 2.049 474 L HA -0.057 4.280 4.340 -0.005 0.000 0.203 474 L C 2.254 179.141 176.870 0.028 0.000 1.074 474 L CA 1.665 56.530 54.840 0.042 0.000 0.749 474 L CB -0.551 41.547 42.059 0.065 0.000 0.907 474 L HN 0.045 nan 8.230 nan 0.000 0.439 475 V N -0.263 119.676 119.914 0.042 0.000 2.453 475 V HA -0.176 3.941 4.120 -0.005 0.000 0.247 475 V C 2.156 178.260 176.094 0.016 0.000 1.048 475 V CA 1.985 64.305 62.300 0.032 0.000 1.049 475 V CB -0.604 31.244 31.823 0.043 0.000 0.672 475 V HN 0.514 nan 8.190 nan 0.000 0.457 476 E N -1.145 119.066 120.200 0.018 0.000 2.460 476 E HA 0.128 4.476 4.350 -0.005 0.000 0.200 476 E C 1.542 178.145 176.600 0.004 0.000 1.011 476 E CA 0.136 56.542 56.400 0.010 0.000 0.912 476 E CB 0.666 30.374 29.700 0.014 0.000 0.953 476 E HN 0.432 nan 8.360 nan 0.000 0.494 477 L N 0.267 121.495 121.223 0.008 0.000 2.919 477 L HA 0.113 4.450 4.340 -0.005 0.000 0.169 477 L C 1.818 178.688 176.870 0.001 0.000 1.228 477 L CA 0.570 55.412 54.840 0.004 0.000 0.862 477 L CB 0.245 42.311 42.059 0.011 0.000 1.313 477 L HN -0.217 nan 8.230 nan 0.000 0.526 478 E N 0.123 120.329 120.200 0.010 0.000 2.051 478 E HA -0.249 4.098 4.350 -0.005 0.000 0.192 478 E C 2.019 178.602 176.600 -0.027 0.000 0.991 478 E CA 1.554 57.956 56.400 0.003 0.000 0.799 478 E CB -0.270 29.447 29.700 0.028 0.000 0.748 478 E HN 0.607 nan 8.360 nan 0.000 0.449 479 Q N -0.240 119.540 119.800 -0.033 0.000 2.084 479 Q HA -0.096 4.241 4.340 -0.005 0.000 0.202 479 Q C -0.535 175.437 176.000 -0.047 0.000 0.978 479 Q CA 1.368 57.139 55.803 -0.054 0.000 0.844 479 Q CB -0.812 27.896 28.738 -0.050 0.000 0.898 479 Q HN 0.235 nan 8.270 nan 0.000 0.426 480 P HA -0.149 nan 4.420 nan 0.000 0.217 480 P C 1.242 178.521 177.300 -0.035 0.000 1.151 480 P CA 0.821 63.901 63.100 -0.034 0.000 0.828 480 P CB 0.019 31.704 31.700 -0.025 0.000 0.788 481 L N -0.540 120.664 121.223 -0.033 0.000 2.083 481 L HA -0.110 4.228 4.340 -0.005 0.000 0.209 481 L C 2.382 179.228 176.870 -0.040 0.000 1.083 481 L CA 1.880 56.698 54.840 -0.037 0.000 0.752 481 L CB -1.535 40.504 42.059 -0.033 0.000 0.899 481 L HN -0.098 nan 8.230 nan 0.000 0.433 482 S N -1.282 114.391 115.700 -0.045 0.000 2.374 482 S HA -0.220 4.247 4.470 -0.005 0.000 0.227 482 S C 2.098 176.675 174.600 -0.037 0.000 1.037 482 S CA 1.798 59.970 58.200 -0.047 0.000 1.024 482 S CB -0.385 62.769 63.200 -0.077 0.000 0.861 482 S HN 0.681 nan 8.310 nan 0.000 0.456 483 S N 1.120 116.793 115.700 -0.046 0.000 2.383 483 S HA 0.053 4.520 4.470 -0.005 0.000 0.227 483 S C 1.753 176.340 174.600 -0.021 0.000 1.026 483 S CA 1.335 59.509 58.200 -0.044 0.000 0.981 483 S CB -0.401 62.767 63.200 -0.053 0.000 0.818 483 S HN 0.543 nan 8.310 nan 0.000 0.472 484 I N 1.349 121.906 120.570 -0.021 0.000 2.252 484 I HA -0.161 4.006 4.170 -0.005 0.000 0.245 484 I C 2.026 178.149 176.117 0.010 0.000 1.102 484 I CA 1.053 62.345 61.300 -0.013 0.000 1.385 484 I CB -0.375 37.607 38.000 -0.030 0.000 1.064 484 I HN 0.229 nan 8.210 nan 0.000 0.414 485 L N 0.517 121.746 121.223 0.009 0.000 2.083 485 L HA -0.193 4.145 4.340 -0.005 0.000 0.209 485 L C 2.873 179.853 176.870 0.183 0.000 1.083 485 L CA 1.252 56.135 54.840 0.072 0.000 0.752 485 L CB -0.728 41.373 42.059 0.070 0.000 0.899 485 L HN 0.240 nan 8.230 nan 0.000 0.433 486 A N 0.048 122.941 122.820 0.121 0.000 1.902 486 A HA -0.229 4.088 4.320 -0.005 0.000 0.217 486 A C 2.164 179.857 177.584 0.181 0.000 1.181 486 A CA 1.732 53.853 52.037 0.141 0.000 0.623 486 A CB -0.422 18.591 19.000 0.020 0.000 0.818 486 A HN 0.464 nan 8.150 nan 0.000 0.443 487 E N -0.728 119.539 120.200 0.112 0.000 2.077 487 E HA -0.187 4.161 4.350 -0.005 0.000 0.193 487 E C 2.103 178.789 176.600 0.144 0.000 0.989 487 E CA 1.484 57.953 56.400 0.115 0.000 0.800 487 E CB -0.283 29.441 29.700 0.040 0.000 0.746 487 E HN 0.673 nan 8.360 nan 0.000 0.452 488 M N 0.585 120.272 119.600 0.145 0.000 2.086 488 M HA -0.187 4.290 4.480 -0.005 0.000 0.261 488 M C 2.087 178.540 176.300 0.255 0.000 1.067 488 M CA 1.575 56.976 55.300 0.168 0.000 1.116 488 M CB -0.166 32.549 32.600 0.192 0.000 1.348 488 M HN 0.045 nan 8.290 nan 0.000 0.407 489 E N -0.257 120.172 120.200 0.382 0.000 2.077 489 E HA -0.204 4.143 4.350 -0.005 0.000 0.193 489 E C 1.812 178.732 176.600 0.534 0.000 0.989 489 E CA 1.255 57.941 56.400 0.475 0.000 0.800 489 E CB -0.260 29.816 29.700 0.626 0.000 0.746 489 E HN 0.392 nan 8.360 nan 0.000 0.452 490 F N 1.582 121.711 119.950 0.298 0.000 2.134 490 F HA -0.119 4.405 4.527 -0.004 0.000 0.299 490 F C 2.171 177.985 175.800 0.023 0.000 1.097 490 F CA 1.250 59.304 58.000 0.090 0.000 1.264 490 F CB -0.426 38.513 39.000 -0.102 0.000 1.001 490 F HN -0.062 nan 8.300 nan 0.000 0.479 491 A N 0.304 123.066 122.820 -0.097 0.000 1.877 491 A HA 0.258 4.575 4.320 -0.005 0.000 0.216 491 A C 1.735 179.195 177.584 -0.208 0.000 1.186 491 A CA 1.431 53.312 52.037 -0.260 0.000 0.620 491 A CB -1.569 17.275 19.000 -0.261 0.000 0.822 491 A HN 1.051 nan 8.150 nan 0.000 0.443 492 G N -2.647 106.070 108.800 -0.138 0.000 2.855 492 G HA2 0.028 3.985 3.960 -0.005 0.000 0.352 492 G HA3 0.028 3.985 3.960 -0.005 0.000 0.352 492 G C -0.488 174.279 174.900 -0.221 0.000 1.415 492 G CA -0.326 44.542 45.100 -0.387 0.000 0.871 492 G HN 1.219 nan 8.290 nan 0.000 0.543 493 V N 0.755 120.547 119.914 -0.203 0.000 2.588 493 V HA 0.570 4.687 4.120 -0.005 0.000 0.304 493 V C 0.603 176.669 176.094 -0.046 0.000 1.042 493 V CA -0.745 61.532 62.300 -0.039 0.000 0.877 493 V CB 1.747 33.627 31.823 0.095 0.000 0.996 493 V HN 0.940 nan 8.190 nan 0.000 0.425 494 K N 2.724 123.109 120.400 -0.025 0.000 2.270 494 K HA 0.598 4.915 4.320 -0.005 0.000 0.276 494 K C -1.080 175.488 176.600 -0.054 0.000 1.023 494 K CA -0.218 56.038 56.287 -0.051 0.000 0.955 494 K CB 1.259 33.731 32.500 -0.048 0.000 0.975 494 K HN 0.508 nan 8.250 nan 0.000 0.471 495 V N 3.026 122.870 119.914 -0.116 0.000 2.680 495 V HA 0.085 4.202 4.120 -0.005 0.000 0.309 495 V C -0.504 175.505 176.094 -0.143 0.000 1.052 495 V CA -0.887 61.286 62.300 -0.212 0.000 0.908 495 V CB 1.757 33.409 31.823 -0.284 0.000 1.001 495 V HN 0.812 nan 8.190 nan 0.000 0.431 496 D N 2.800 123.114 120.400 -0.144 0.000 2.494 496 D HA 0.086 4.723 4.640 -0.005 0.000 0.217 496 D C 1.495 177.736 176.300 -0.099 0.000 1.153 496 D CA 0.300 54.246 54.000 -0.089 0.000 0.954 496 D CB 1.223 41.986 40.800 -0.061 0.000 1.034 496 D HN 0.782 nan 8.370 nan 0.000 0.518 497 T N 0.880 115.382 114.554 -0.087 0.000 2.759 497 T HA -0.196 4.151 4.350 -0.005 0.000 0.269 497 T C 1.706 176.372 174.700 -0.056 0.000 1.042 497 T CA 0.936 62.991 62.100 -0.075 0.000 1.140 497 T CB -0.001 68.832 68.868 -0.058 0.000 0.864 497 T HN 0.266 nan 8.240 nan 0.000 0.455 498 K N 0.550 120.922 120.400 -0.046 0.000 2.097 498 K HA -0.009 4.308 4.320 -0.005 0.000 0.206 498 K C 2.712 179.289 176.600 -0.039 0.000 1.049 498 K CA 1.088 57.353 56.287 -0.036 0.000 0.933 498 K CB -0.188 32.294 32.500 -0.029 0.000 0.717 498 K HN 0.323 nan 8.250 nan 0.000 0.442 499 R N 1.025 121.497 120.500 -0.047 0.000 2.075 499 R HA -0.047 4.290 4.340 -0.005 0.000 0.232 499 R C 2.224 178.494 176.300 -0.051 0.000 1.126 499 R CA 0.919 56.990 56.100 -0.049 0.000 0.963 499 R CB -0.106 30.161 30.300 -0.054 0.000 0.858 499 R HN 0.128 nan 8.270 nan 0.000 0.435 500 L N 0.459 121.646 121.223 -0.060 0.000 2.046 500 L HA -0.172 4.165 4.340 -0.005 0.000 0.208 500 L C 2.220 179.070 176.870 -0.034 0.000 1.077 500 L CA 1.570 56.380 54.840 -0.050 0.000 0.747 500 L CB -0.403 41.618 42.059 -0.064 0.000 0.896 500 L HN 0.292 nan 8.230 nan 0.000 0.432 501 E N -0.452 119.727 120.200 -0.034 0.000 2.110 501 E HA -0.297 4.050 4.350 -0.005 0.000 0.193 501 E C 2.111 178.697 176.600 -0.023 0.000 0.988 501 E CA 1.163 57.547 56.400 -0.026 0.000 0.804 501 E CB -0.048 29.636 29.700 -0.025 0.000 0.745 501 E HN 0.323 nan 8.360 nan 0.000 0.458 502 Q N 0.700 120.484 119.800 -0.026 0.000 2.119 502 Q HA -0.082 4.256 4.340 -0.005 0.000 0.201 502 Q C 1.937 177.922 176.000 -0.024 0.000 0.972 502 Q CA 1.472 57.261 55.803 -0.024 0.000 0.847 502 Q CB -0.042 28.679 28.738 -0.027 0.000 0.903 502 Q HN 0.269 nan 8.270 nan 0.000 0.433 503 M N -1.046 118.538 119.600 -0.027 0.000 2.159 503 M HA -0.054 4.423 4.480 -0.005 0.000 0.263 503 M C 2.019 178.309 176.300 -0.018 0.000 1.063 503 M CA 1.488 56.773 55.300 -0.025 0.000 1.110 503 M CB -0.553 32.032 32.600 -0.026 0.000 1.374 503 M HN 0.418 nan 8.290 nan 0.000 0.411 504 G N 0.693 109.484 108.800 -0.016 0.000 2.440 504 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.218 504 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.218 504 G C 1.622 176.513 174.900 -0.016 0.000 1.154 504 G CA 0.824 45.915 45.100 -0.014 0.000 0.767 504 G HN 0.399 nan 8.290 nan 0.000 0.552 505 K N 0.331 120.722 120.400 -0.015 0.000 2.026 505 K HA -0.061 4.256 4.320 -0.005 0.000 0.208 505 K C 2.458 179.050 176.600 -0.013 0.000 1.048 505 K CA 1.363 57.642 56.287 -0.013 0.000 0.929 505 K CB -0.159 32.333 32.500 -0.013 0.000 0.713 505 K HN 0.386 nan 8.250 nan 0.000 0.439 506 E N 0.813 121.004 120.200 -0.015 0.000 2.150 506 E HA -0.143 4.204 4.350 -0.005 0.000 0.193 506 E C 2.052 178.642 176.600 -0.017 0.000 0.985 506 E CA 0.766 57.158 56.400 -0.014 0.000 0.814 506 E CB -0.015 29.677 29.700 -0.014 0.000 0.752 506 E HN 0.230 nan 8.360 nan 0.000 0.466 507 L N 0.440 121.650 121.223 -0.022 0.000 2.072 507 L HA -0.107 4.231 4.340 -0.005 0.000 0.205 507 L C 2.604 179.451 176.870 -0.040 0.000 1.079 507 L CA 0.802 55.621 54.840 -0.035 0.000 0.752 507 L CB -0.435 41.603 42.059 -0.035 0.000 0.906 507 L HN 0.138 nan 8.230 nan 0.000 0.436 508 A N -0.221 122.582 122.820 -0.027 0.000 1.908 508 A HA -0.268 4.049 4.320 -0.005 0.000 0.218 508 A C 2.306 179.883 177.584 -0.013 0.000 1.181 508 A CA 1.981 54.006 52.037 -0.019 0.000 0.627 508 A CB -0.531 18.462 19.000 -0.012 0.000 0.818 508 A HN 0.441 nan 8.150 nan 0.000 0.445 509 E N 0.192 120.385 120.200 -0.012 0.000 2.031 509 E HA -0.241 4.106 4.350 -0.005 0.000 0.193 509 E C 2.102 178.696 176.600 -0.010 0.000 0.994 509 E CA 1.819 58.215 56.400 -0.006 0.000 0.800 509 E CB -0.415 29.283 29.700 -0.004 0.000 0.752 509 E HN 0.769 nan 8.360 nan 0.000 0.447 510 Q N 0.232 120.019 119.800 -0.021 0.000 2.096 510 Q HA -0.127 4.210 4.340 -0.005 0.000 0.204 510 Q C 2.608 178.572 176.000 -0.060 0.000 0.982 510 Q CA 1.449 57.229 55.803 -0.038 0.000 0.850 510 Q CB -0.116 28.591 28.738 -0.050 0.000 0.901 510 Q HN 0.310 nan 8.270 nan 0.000 0.422 511 L N -0.174 121.015 121.223 -0.056 0.000 1.994 511 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 511 L C 2.473 179.367 176.870 0.039 0.000 1.071 511 L CA 1.298 56.128 54.840 -0.017 0.000 0.745 511 L CB -1.003 41.035 42.059 -0.035 0.000 0.892 511 L HN 0.367 nan 8.230 nan 0.000 0.431 512 G N -0.896 107.917 108.800 0.023 0.000 2.476 512 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.218 512 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.218 512 G C 1.527 176.431 174.900 0.007 0.000 1.164 512 G CA 1.507 46.623 45.100 0.027 0.000 0.768 512 G HN 0.306 nan 8.290 nan 0.000 0.560 513 T N 0.750 115.304 114.554 -0.000 0.000 2.588 513 T HA -0.138 4.209 4.350 -0.005 0.000 0.261 513 T C 2.548 177.233 174.700 -0.026 0.000 1.069 513 T CA 1.585 63.683 62.100 -0.004 0.000 1.172 513 T CB -0.559 68.311 68.868 0.003 0.000 0.863 513 T HN 0.038 nan 8.240 nan 0.000 0.408 514 V N 1.664 121.559 119.914 -0.032 0.000 2.380 514 V HA -0.228 3.889 4.120 -0.005 0.000 0.251 514 V C 2.515 178.523 176.094 -0.143 0.000 1.063 514 V CA 2.124 64.396 62.300 -0.048 0.000 1.055 514 V CB -0.707 31.084 31.823 -0.054 0.000 0.657 514 V HN 0.579 nan 8.190 nan 0.000 0.455 515 E N -0.425 119.677 120.200 -0.162 0.000 2.085 515 E HA -0.277 4.071 4.350 -0.005 0.000 0.194 515 E C 2.325 178.570 176.600 -0.591 0.000 0.994 515 E CA 1.433 57.565 56.400 -0.448 0.000 0.801 515 E CB -0.031 29.536 29.700 -0.221 0.000 0.743 515 E HN 0.570 nan 8.360 nan 0.000 0.453 516 Q N 0.317 119.994 119.800 -0.205 0.000 2.020 516 Q HA -0.176 4.162 4.340 -0.005 0.000 0.202 516 Q C 2.273 178.233 176.000 -0.067 0.000 0.982 516 Q CA 1.333 57.116 55.803 -0.033 0.000 0.838 516 Q CB -0.567 28.197 28.738 0.043 0.000 0.899 516 Q HN 0.106 nan 8.270 nan 0.000 0.423 517 R N 1.161 121.616 120.500 -0.075 0.000 2.117 517 R HA -0.092 4.245 4.340 -0.005 0.000 0.243 517 R C 2.116 178.381 176.300 -0.059 0.000 1.143 517 R CA 1.284 57.363 56.100 -0.036 0.000 0.968 517 R CB -0.751 29.539 30.300 -0.017 0.000 0.863 517 R HN 0.324 nan 8.270 nan 0.000 0.444 518 I N -0.589 119.863 120.570 -0.197 0.000 2.226 518 I HA -0.283 3.884 4.170 -0.005 0.000 0.245 518 I C 1.584 177.662 176.117 -0.065 0.000 1.100 518 I CA 1.237 62.415 61.300 -0.203 0.000 1.374 518 I CB -0.366 37.366 38.000 -0.446 0.000 1.057 518 I HN 0.144 nan 8.210 nan 0.000 0.413 519 Y N 0.702 121.009 120.300 0.012 0.000 2.293 519 Y HA -0.201 4.346 4.550 -0.005 0.000 0.291 519 Y C 2.564 178.499 175.900 0.059 0.000 1.137 519 Y CA 0.994 59.132 58.100 0.062 0.000 1.202 519 Y CB -0.810 37.654 38.460 0.005 0.000 0.990 519 Y HN 0.251 nan 8.280 nan 0.000 0.537 520 E N 0.395 120.699 120.200 0.173 0.000 2.072 520 E HA -0.157 4.191 4.350 -0.005 0.000 0.191 520 E C 1.867 178.529 176.600 0.103 0.000 0.985 520 E CA 0.971 57.440 56.400 0.116 0.000 0.801 520 E CB -0.259 29.489 29.700 0.079 0.000 0.750 520 E HN 0.440 nan 8.360 nan 0.000 0.452 521 L N -0.057 121.227 121.223 0.102 0.000 2.291 521 L HA -0.007 4.330 4.340 -0.005 0.000 0.214 521 L C 2.154 179.086 176.870 0.103 0.000 1.120 521 L CA 0.745 55.663 54.840 0.130 0.000 0.799 521 L CB -0.036 42.111 42.059 0.147 0.000 0.925 521 L HN 0.171 nan 8.230 nan 0.000 0.446 522 A N -0.591 122.282 122.820 0.088 0.000 2.348 522 A HA 0.353 4.671 4.320 -0.005 0.000 0.224 522 A C 1.562 179.173 177.584 0.045 0.000 1.227 522 A CA 0.462 52.514 52.037 0.024 0.000 0.885 522 A CB -0.158 18.880 19.000 0.062 0.000 0.933 522 A HN 0.376 nan 8.150 nan 0.000 0.506 523 G N -0.219 108.631 108.800 0.084 0.000 2.395 523 G HA2 -0.172 3.785 3.960 -0.005 0.000 0.300 523 G HA3 -0.172 3.785 3.960 -0.005 0.000 0.300 523 G C -0.117 174.820 174.900 0.062 0.000 0.998 523 G CA 1.145 46.285 45.100 0.066 0.000 1.046 523 G HN 1.410 nan 8.290 nan 0.000 0.513 524 Q N -1.660 118.210 119.800 0.116 0.000 3.012 524 Q HA 0.248 4.585 4.340 -0.005 0.000 0.285 524 Q C -1.593 174.527 176.000 0.201 0.000 0.922 524 Q CA -0.701 55.161 55.803 0.098 0.000 0.813 524 Q CB 0.315 29.085 28.738 0.054 0.000 1.779 524 Q HN 0.377 nan 8.270 nan 0.000 0.500 525 E N 1.234 121.447 120.200 0.021 0.000 2.202 525 E HA 0.741 5.088 4.350 -0.005 0.000 0.272 525 E C -0.959 175.751 176.600 0.183 0.000 0.951 525 E CA -0.409 55.848 56.400 -0.238 0.000 0.813 525 E CB 1.340 30.634 29.700 -0.677 0.000 1.151 525 E HN 0.411 nan 8.360 nan 0.000 0.398 526 F N -1.344 118.598 119.950 -0.013 0.000 2.858 526 F HA 0.270 4.794 4.527 -0.005 0.000 0.319 526 F C -1.199 174.665 175.800 0.107 0.000 1.166 526 F CA -1.311 56.713 58.000 0.041 0.000 0.899 526 F CB 0.831 39.859 39.000 0.047 0.000 1.332 526 F HN 0.271 nan 8.300 nan 0.000 0.461 527 N N 1.671 120.417 118.700 0.077 0.000 2.448 527 N HA 0.280 5.017 4.740 -0.005 0.000 0.250 527 N C 0.730 176.196 175.510 -0.073 0.000 1.136 527 N CA -0.236 52.801 53.050 -0.023 0.000 0.953 527 N CB 0.447 38.974 38.487 0.067 0.000 1.251 527 N HN 0.701 nan 8.380 nan 0.000 0.502 528 I N 2.320 122.667 120.570 -0.371 0.000 2.423 528 I HA -0.244 3.923 4.170 -0.005 0.000 0.254 528 I C 1.455 177.594 176.117 0.037 0.000 1.151 528 I CA 0.703 61.814 61.300 -0.315 0.000 1.421 528 I CB -0.218 37.346 38.000 -0.726 0.000 1.079 528 I HN 0.552 nan 8.210 nan 0.000 0.431 529 N N 0.637 119.391 118.700 0.089 0.000 2.515 529 N HA -0.033 4.704 4.740 -0.005 0.000 0.191 529 N C 0.512 176.092 175.510 0.116 0.000 1.182 529 N CA 0.353 53.486 53.050 0.139 0.000 0.879 529 N CB 0.200 38.762 38.487 0.124 0.000 0.984 529 N HN 0.115 nan 8.380 nan 0.000 0.453 530 S N 1.032 116.809 115.700 0.128 0.000 2.532 530 S HA 0.362 4.830 4.470 -0.005 0.000 0.318 530 S C -1.849 172.844 174.600 0.156 0.000 1.083 530 S CA -1.712 56.566 58.200 0.132 0.000 1.131 530 S CB 1.348 64.627 63.200 0.133 0.000 0.973 530 S HN -0.129 nan 8.310 nan 0.000 0.468 531 P HA -0.147 nan 4.420 nan 0.000 0.220 531 P C 1.213 178.615 177.300 0.170 0.000 1.144 531 P CA 0.899 64.091 63.100 0.154 0.000 0.800 531 P CB 0.220 31.999 31.700 0.132 0.000 0.772 532 K N 0.060 120.547 120.400 0.146 0.000 1.980 532 K HA -0.152 4.166 4.320 -0.005 0.000 0.208 532 K C 2.094 178.784 176.600 0.151 0.000 1.043 532 K CA 1.355 57.727 56.287 0.141 0.000 0.938 532 K CB -0.363 32.198 32.500 0.102 0.000 0.724 532 K HN 0.040 nan 8.250 nan 0.000 0.438 533 Q N 0.542 120.433 119.800 0.151 0.000 2.124 533 Q HA -0.176 4.162 4.340 -0.005 0.000 0.202 533 Q C 2.167 178.220 176.000 0.088 0.000 0.977 533 Q CA 1.313 57.203 55.803 0.146 0.000 0.850 533 Q CB -0.128 28.755 28.738 0.242 0.000 0.901 533 Q HN 0.268 nan 8.270 nan 0.000 0.429 534 L N 0.380 121.709 121.223 0.176 0.000 2.017 534 L HA -0.052 4.285 4.340 -0.005 0.000 0.208 534 L C 2.127 178.971 176.870 -0.044 0.000 1.073 534 L CA 2.242 57.142 54.840 0.100 0.000 0.745 534 L CB -1.013 41.166 42.059 0.200 0.000 0.894 534 L HN 0.173 nan 8.230 nan 0.000 0.432 535 G N -1.277 107.594 108.800 0.118 0.000 2.462 535 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.220 535 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.220 535 G C 1.422 176.401 174.900 0.131 0.000 1.121 535 G CA 1.111 46.369 45.100 0.264 0.000 0.758 535 G HN 0.376 nan 8.290 nan 0.000 0.559 536 V N 1.156 121.104 119.914 0.058 0.000 2.446 536 V HA -0.024 4.093 4.120 -0.005 0.000 0.244 536 V C 2.707 178.689 176.094 -0.186 0.000 1.039 536 V CA 0.677 62.977 62.300 -0.000 0.000 1.045 536 V CB -0.230 31.600 31.823 0.011 0.000 0.681 536 V HN 0.232 nan 8.190 nan 0.000 0.459 537 I N 0.022 120.389 120.570 -0.338 0.000 2.226 537 I HA -0.199 3.968 4.170 -0.005 0.000 0.245 537 I C 2.293 178.139 176.117 -0.451 0.000 1.100 537 I CA 1.875 62.884 61.300 -0.485 0.000 1.374 537 I CB -0.882 36.583 38.000 -0.893 0.000 1.057 537 I HN 0.279 nan 8.210 nan 0.000 0.413 538 L N -0.824 120.075 121.223 -0.541 0.000 2.049 538 L HA -0.119 4.218 4.340 -0.005 0.000 0.203 538 L C 2.300 178.730 176.870 -0.735 0.000 1.074 538 L CA 1.225 55.626 54.840 -0.732 0.000 0.749 538 L CB -0.680 40.730 42.059 -1.082 0.000 0.907 538 L HN 0.057 nan 8.230 nan 0.000 0.439 539 F N -0.462 119.270 119.950 -0.364 0.000 2.789 539 F HA 0.056 4.580 4.527 -0.005 0.000 0.300 539 F C 2.119 177.724 175.800 -0.325 0.000 1.132 539 F CA 0.332 58.061 58.000 -0.452 0.000 1.404 539 F CB -0.178 38.267 39.000 -0.924 0.000 1.114 539 F HN 0.072 nan 8.300 nan 0.000 0.584 540 E N -0.304 119.818 120.200 -0.130 0.000 2.378 540 E HA 0.017 4.364 4.350 -0.005 0.000 0.200 540 E C 1.850 178.399 176.600 -0.085 0.000 0.882 540 E CA 0.006 56.369 56.400 -0.062 0.000 1.061 540 E CB 0.163 29.859 29.700 -0.007 0.000 1.049 540 E HN 0.127 nan 8.360 nan 0.000 0.494 541 K N 0.880 121.199 120.400 -0.135 0.000 2.116 541 K HA 0.059 4.376 4.320 -0.005 0.000 0.203 541 K C 1.670 178.192 176.600 -0.130 0.000 1.052 541 K CA 0.682 56.892 56.287 -0.129 0.000 0.952 541 K CB 0.312 32.711 32.500 -0.168 0.000 0.729 541 K HN 0.044 nan 8.250 nan 0.000 0.446 542 L N 0.555 121.666 121.223 -0.187 0.000 2.640 542 L HA 0.100 4.437 4.340 -0.005 0.000 0.230 542 L C 0.080 176.885 176.870 -0.107 0.000 1.123 542 L CA -0.051 54.686 54.840 -0.171 0.000 0.900 542 L CB 0.445 42.306 42.059 -0.329 0.000 1.146 542 L HN 0.208 nan 8.230 nan 0.000 0.484 543 Q N -0.187 119.550 119.800 -0.105 0.000 2.452 543 Q HA -0.201 4.136 4.340 -0.005 0.000 0.248 543 Q C 0.123 176.080 176.000 -0.072 0.000 0.874 543 Q CA 0.884 56.650 55.803 -0.063 0.000 1.208 543 Q CB -2.209 26.511 28.738 -0.030 0.000 1.569 543 Q HN 0.473 nan 8.270 nan 0.000 0.579 544 L N 1.329 122.482 121.223 -0.118 0.000 2.506 544 L HA 0.070 4.407 4.340 -0.005 0.000 0.281 544 L C -1.481 175.379 176.870 -0.017 0.000 1.228 544 L CA -1.268 53.493 54.840 -0.132 0.000 0.850 544 L CB -0.340 41.588 42.059 -0.219 0.000 1.110 544 L HN -0.156 nan 8.230 nan 0.000 0.496 545 P HA 0.017 nan 4.420 nan 0.000 0.268 545 P C -0.765 176.529 177.300 -0.010 0.000 1.205 545 P CA -0.166 62.847 63.100 -0.145 0.000 0.771 545 P CB 0.593 32.091 31.700 -0.337 0.000 0.858 546 V N 5.119 124.962 119.914 -0.118 0.000 2.288 546 V HA 0.107 4.224 4.120 -0.005 0.000 0.266 546 V C 1.354 177.363 176.094 -0.142 0.000 1.048 546 V CA 0.152 62.278 62.300 -0.290 0.000 0.842 546 V CB 0.087 31.721 31.823 -0.315 0.000 1.064 546 V HN 0.521 nan 8.190 nan 0.000 0.472 547 L N 2.783 123.953 121.223 -0.089 0.000 2.354 547 L HA 0.322 4.659 4.340 -0.005 0.000 0.212 547 L C 1.035 177.893 176.870 -0.020 0.000 1.091 547 L CA 0.716 55.541 54.840 -0.024 0.000 0.828 547 L CB 0.046 42.121 42.059 0.026 0.000 0.973 547 L HN 0.484 nan 8.230 nan 0.000 0.461 548 K N 0.448 120.823 120.400 -0.041 0.000 2.498 548 K HA 0.397 4.714 4.320 -0.005 0.000 0.254 548 K C -1.228 175.349 176.600 -0.039 0.000 0.933 548 K CA -0.709 55.571 56.287 -0.013 0.000 0.806 548 K CB 2.260 34.778 32.500 0.030 0.000 1.301 548 K HN -0.284 nan 8.250 nan 0.000 0.432 549 K N 1.224 121.613 120.400 -0.019 0.000 2.295 549 K HA 0.423 4.740 4.320 -0.005 0.000 0.239 549 K C -0.089 176.506 176.600 -0.008 0.000 0.991 549 K CA -0.573 55.697 56.287 -0.029 0.000 0.845 549 K CB 1.899 34.371 32.500 -0.047 0.000 1.197 549 K HN 0.939 nan 8.250 nan 0.000 0.441 550 T N -3.093 111.450 114.554 -0.017 0.000 2.844 550 T HA 0.311 4.658 4.350 -0.005 0.000 0.274 550 T C 1.153 175.840 174.700 -0.023 0.000 0.991 550 T CA -0.660 61.438 62.100 -0.003 0.000 0.983 550 T CB 1.331 70.209 68.868 0.017 0.000 1.310 550 T HN 0.533 nan 8.240 nan 0.000 0.596 551 K N -0.010 120.383 120.400 -0.013 0.000 2.155 551 K HA -0.064 4.253 4.320 -0.005 0.000 0.203 551 K C 1.603 178.183 176.600 -0.033 0.000 1.052 551 K CA 1.635 57.911 56.287 -0.019 0.000 0.948 551 K CB -0.440 32.057 32.500 -0.006 0.000 0.728 551 K HN 0.789 nan 8.250 nan 0.000 0.448 552 T N -3.210 111.322 114.554 -0.036 0.000 3.085 552 T HA 0.453 4.800 4.350 -0.005 0.000 0.264 552 T C 0.533 175.173 174.700 -0.101 0.000 1.019 552 T CA -0.121 61.949 62.100 -0.051 0.000 0.910 552 T CB 1.109 69.963 68.868 -0.024 0.000 1.059 552 T HN 0.347 nan 8.240 nan 0.000 0.542 553 G N 0.558 109.276 108.800 -0.137 0.000 2.564 553 G HA2 0.318 4.275 3.960 -0.005 0.000 0.139 553 G HA3 0.318 4.275 3.960 -0.005 0.000 0.139 553 G C -1.766 172.978 174.900 -0.260 0.000 1.147 553 G CA -1.002 43.922 45.100 -0.294 0.000 1.031 553 G HN 0.283 nan 8.290 nan 0.000 0.482 554 Y N 0.705 120.978 120.300 -0.044 0.000 2.307 554 Y HA 0.632 5.179 4.550 -0.005 0.000 0.324 554 Y C 1.056 176.948 175.900 -0.013 0.000 1.238 554 Y CA 0.090 58.108 58.100 -0.137 0.000 1.280 554 Y CB 1.688 40.000 38.460 -0.247 0.000 1.248 554 Y HN 0.423 nan 8.280 nan 0.000 0.508 555 S N 0.537 116.313 115.700 0.128 0.000 2.499 555 S HA 0.272 4.739 4.470 -0.005 0.000 0.279 555 S C 0.473 175.228 174.600 0.259 0.000 1.219 555 S CA -0.264 58.026 58.200 0.151 0.000 1.062 555 S CB 0.246 63.501 63.200 0.091 0.000 0.978 555 S HN 0.826 nan 8.310 nan 0.000 0.489 556 T N 0.415 115.110 114.554 0.236 0.000 3.231 556 T HA 0.277 4.624 4.350 -0.005 0.000 0.292 556 T C 0.430 175.229 174.700 0.165 0.000 1.001 556 T CA -0.144 62.098 62.100 0.237 0.000 0.920 556 T CB -0.573 68.426 68.868 0.219 0.000 1.140 556 T HN 0.642 nan 8.240 nan 0.000 0.525 557 S N 0.843 116.628 115.700 0.143 0.000 2.568 557 S HA 0.545 5.012 4.470 -0.005 0.000 0.282 557 S C 1.908 176.575 174.600 0.112 0.000 1.338 557 S CA -0.209 58.060 58.200 0.115 0.000 1.045 557 S CB 0.942 64.202 63.200 0.099 0.000 0.873 557 S HN 0.546 nan 8.310 nan 0.000 0.516 558 A N 1.820 124.700 122.820 0.100 0.000 1.958 558 A HA -0.231 4.086 4.320 -0.005 0.000 0.221 558 A C 1.804 179.442 177.584 0.089 0.000 1.178 558 A CA 2.343 54.436 52.037 0.093 0.000 0.642 558 A CB -1.511 17.540 19.000 0.084 0.000 0.816 558 A HN 1.051 nan 8.150 nan 0.000 0.453 559 D N -0.544 119.908 120.400 0.087 0.000 2.127 559 D HA -0.162 4.475 4.640 -0.005 0.000 0.190 559 D C 1.724 178.077 176.300 0.087 0.000 1.000 559 D CA 2.113 56.161 54.000 0.080 0.000 0.839 559 D CB -0.189 40.657 40.800 0.077 0.000 0.955 559 D HN 0.181 nan 8.370 nan 0.000 0.446 560 V N 0.350 120.326 119.914 0.103 0.000 2.379 560 V HA -0.162 3.955 4.120 -0.005 0.000 0.245 560 V C 2.641 178.816 176.094 0.135 0.000 1.044 560 V CA 1.178 63.551 62.300 0.121 0.000 1.036 560 V CB -0.536 31.376 31.823 0.148 0.000 0.664 560 V HN 0.333 nan 8.190 nan 0.000 0.453 561 L N -0.273 121.028 121.223 0.129 0.000 2.127 561 L HA -0.175 4.162 4.340 -0.005 0.000 0.211 561 L C 2.741 179.673 176.870 0.104 0.000 1.089 561 L CA 1.359 56.267 54.840 0.115 0.000 0.757 561 L CB -0.712 41.407 42.059 0.100 0.000 0.899 561 L HN 0.362 nan 8.230 nan 0.000 0.434 562 E N 0.687 120.943 120.200 0.093 0.000 2.085 562 E HA -0.215 4.132 4.350 -0.005 0.000 0.194 562 E C 2.121 178.773 176.600 0.086 0.000 0.994 562 E CA 1.256 57.702 56.400 0.077 0.000 0.801 562 E CB -0.109 29.630 29.700 0.064 0.000 0.743 562 E HN 0.529 nan 8.360 nan 0.000 0.453 563 K N 0.291 120.753 120.400 0.103 0.000 2.217 563 K HA 0.021 4.338 4.320 -0.005 0.000 0.202 563 K C 2.146 178.862 176.600 0.194 0.000 1.051 563 K CA 0.512 56.874 56.287 0.124 0.000 0.952 563 K CB 0.041 32.612 32.500 0.120 0.000 0.736 563 K HN 0.087 nan 8.250 nan 0.000 0.453 564 L N 0.142 121.485 121.223 0.200 0.000 2.509 564 L HA 0.079 4.417 4.340 -0.005 0.000 0.222 564 L C 2.329 179.351 176.870 0.255 0.000 1.123 564 L CA -0.023 54.986 54.840 0.281 0.000 0.856 564 L CB -0.357 41.809 42.059 0.178 0.000 0.985 564 L HN 0.116 nan 8.230 nan 0.000 0.456 565 A N 1.498 124.407 122.820 0.150 0.000 1.903 565 A HA -0.179 4.138 4.320 -0.005 0.000 0.219 565 A C -0.004 177.623 177.584 0.072 0.000 1.191 565 A CA 1.904 54.001 52.037 0.100 0.000 0.638 565 A CB -1.776 17.261 19.000 0.062 0.000 0.823 565 A HN 0.277 nan 8.150 nan 0.000 0.451 566 P HA -0.154 nan 4.420 nan 0.000 0.218 566 P C 0.763 177.960 177.300 -0.171 0.000 1.148 566 P CA 1.185 64.207 63.100 -0.130 0.000 0.822 566 P CB -0.178 31.369 31.700 -0.255 0.000 0.784 567 Y N -3.122 117.199 120.300 0.035 0.000 2.337 567 Y HA -0.006 4.541 4.550 -0.005 0.000 0.293 567 Y C 1.586 177.525 175.900 0.066 0.000 1.123 567 Y CA 1.017 59.144 58.100 0.044 0.000 1.201 567 Y CB -0.074 38.422 38.460 0.060 0.000 1.011 567 Y HN 0.041 nan 8.280 nan 0.000 0.545 568 H N -0.753 118.391 119.070 0.123 0.000 2.974 568 H HA 0.129 4.683 4.556 -0.005 0.000 0.366 568 H C 0.006 175.352 175.328 0.030 0.000 1.155 568 H CA -0.533 55.549 56.048 0.056 0.000 1.186 568 H CB 1.923 31.705 29.762 0.032 0.000 1.799 568 H HN 0.165 nan 8.280 nan 0.000 0.541 569 E N 3.555 123.788 120.200 0.056 0.000 2.418 569 E HA -0.063 4.284 4.350 -0.005 0.000 0.197 569 E C 1.578 178.287 176.600 0.182 0.000 1.026 569 E CA 0.337 56.791 56.400 0.090 0.000 0.862 569 E CB 0.313 30.014 29.700 0.002 0.000 0.799 569 E HN 0.597 nan 8.360 nan 0.000 0.518 570 I N -0.180 120.598 120.570 0.346 0.000 2.500 570 I HA -0.199 3.968 4.170 -0.005 0.000 0.252 570 I C 1.788 177.952 176.117 0.079 0.000 1.142 570 I CA 0.409 61.799 61.300 0.149 0.000 1.451 570 I CB 0.194 38.200 38.000 0.009 0.000 1.093 570 I HN 0.017 nan 8.210 nan 0.000 0.430 571 V N 2.412 122.379 119.914 0.088 0.000 2.255 571 V HA -0.330 3.787 4.120 -0.005 0.000 0.247 571 V C 2.462 178.603 176.094 0.079 0.000 1.051 571 V CA 2.476 64.815 62.300 0.065 0.000 1.018 571 V CB -1.171 30.700 31.823 0.079 0.000 0.641 571 V HN 0.624 nan 8.190 nan 0.000 0.445 572 E N 0.620 120.868 120.200 0.081 0.000 2.097 572 E HA -0.285 4.062 4.350 -0.005 0.000 0.196 572 E C 1.912 178.578 176.600 0.110 0.000 1.000 572 E CA 1.859 58.306 56.400 0.077 0.000 0.804 572 E CB -0.568 29.165 29.700 0.054 0.000 0.740 572 E HN 0.632 nan 8.360 nan 0.000 0.454 573 N N 0.877 119.641 118.700 0.106 0.000 2.166 573 N HA -0.099 4.638 4.740 -0.005 0.000 0.186 573 N C 2.071 177.657 175.510 0.128 0.000 1.019 573 N CA 1.379 54.502 53.050 0.122 0.000 0.856 573 N CB -0.134 38.391 38.487 0.063 0.000 0.993 573 N HN 0.316 nan 8.380 nan 0.000 0.426 574 I N 1.261 121.889 120.570 0.096 0.000 2.252 574 I HA -0.223 3.944 4.170 -0.005 0.000 0.245 574 I C 2.224 178.445 176.117 0.172 0.000 1.102 574 I CA 0.750 62.116 61.300 0.110 0.000 1.385 574 I CB -0.197 37.849 38.000 0.078 0.000 1.064 574 I HN 0.052 nan 8.210 nan 0.000 0.414 575 L N -0.200 121.112 121.223 0.147 0.000 2.017 575 L HA -0.292 4.045 4.340 -0.005 0.000 0.208 575 L C 2.724 179.706 176.870 0.187 0.000 1.073 575 L CA 1.737 56.663 54.840 0.144 0.000 0.745 575 L CB -0.941 41.185 42.059 0.112 0.000 0.894 575 L HN 0.371 nan 8.230 nan 0.000 0.432 576 H N -1.230 117.885 119.070 0.075 0.000 2.352 576 H HA -0.287 4.266 4.556 -0.005 0.000 0.299 576 H C 2.350 177.719 175.328 0.068 0.000 1.097 576 H CA 1.948 58.032 56.048 0.059 0.000 1.311 576 H CB 0.029 29.822 29.762 0.053 0.000 1.377 576 H HN 0.318 nan 8.280 nan 0.000 0.504 577 Y N 1.626 121.905 120.300 -0.034 0.000 2.165 577 Y HA -0.212 4.335 4.550 -0.005 0.000 0.286 577 Y C 2.603 178.469 175.900 -0.058 0.000 1.155 577 Y CA 1.645 59.669 58.100 -0.126 0.000 1.164 577 Y CB -0.214 38.175 38.460 -0.118 0.000 0.978 577 Y HN 0.064 nan 8.280 nan 0.000 0.513 578 R N -0.058 120.458 120.500 0.027 0.000 2.092 578 R HA -0.197 4.140 4.340 -0.005 0.000 0.231 578 R C 2.449 178.716 176.300 -0.056 0.000 1.119 578 R CA 1.525 57.604 56.100 -0.034 0.000 0.970 578 R CB -0.386 29.968 30.300 0.090 0.000 0.864 578 R HN 0.543 nan 8.270 nan 0.000 0.440 579 Q N 1.158 120.965 119.800 0.012 0.000 2.030 579 Q HA -0.189 4.148 4.340 -0.005 0.000 0.204 579 Q C 2.061 178.051 176.000 -0.016 0.000 0.986 579 Q CA 1.574 57.400 55.803 0.039 0.000 0.843 579 Q CB -0.115 28.694 28.738 0.118 0.000 0.904 579 Q HN 0.335 nan 8.270 nan 0.000 0.420 580 L N 0.011 121.182 121.223 -0.086 0.000 2.046 580 L HA -0.093 4.244 4.340 -0.005 0.000 0.208 580 L C 2.574 179.335 176.870 -0.182 0.000 1.077 580 L CA 1.073 55.831 54.840 -0.137 0.000 0.747 580 L CB -0.887 41.032 42.059 -0.232 0.000 0.896 580 L HN 0.453 nan 8.230 nan 0.000 0.432 581 G N 0.140 108.741 108.800 -0.331 0.000 2.432 581 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.219 581 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.219 581 G C 1.671 176.485 174.900 -0.143 0.000 1.135 581 G CA 0.920 45.821 45.100 -0.332 0.000 0.767 581 G HN 0.200 nan 8.290 nan 0.000 0.550 582 K N -0.098 120.259 120.400 -0.071 0.000 2.057 582 K HA 0.067 4.385 4.320 -0.005 0.000 0.206 582 K C 2.302 178.970 176.600 0.112 0.000 1.050 582 K CA 0.638 56.938 56.287 0.022 0.000 0.935 582 K CB -0.559 31.991 32.500 0.083 0.000 0.715 582 K HN 0.188 nan 8.250 nan 0.000 0.439 583 L N 0.994 122.294 121.223 0.130 0.000 2.017 583 L HA -0.119 4.218 4.340 -0.005 0.000 0.208 583 L C 2.519 179.469 176.870 0.134 0.000 1.073 583 L CA 1.791 56.755 54.840 0.207 0.000 0.745 583 L CB -1.044 41.063 42.059 0.081 0.000 0.894 583 L HN 0.343 nan 8.230 nan 0.000 0.432 584 Q N -0.917 118.898 119.800 0.025 0.000 1.993 584 Q HA -0.139 4.198 4.340 -0.005 0.000 0.202 584 Q C 2.333 178.324 176.000 -0.015 0.000 0.984 584 Q CA 2.358 58.157 55.803 -0.006 0.000 0.837 584 Q CB -0.278 28.429 28.738 -0.052 0.000 0.902 584 Q HN 0.432 nan 8.270 nan 0.000 0.423 585 S N -0.514 115.160 115.700 -0.043 0.000 2.344 585 S HA -0.127 4.340 4.470 -0.005 0.000 0.217 585 S C 2.020 176.560 174.600 -0.100 0.000 1.033 585 S CA 1.670 59.834 58.200 -0.061 0.000 1.017 585 S CB -0.803 62.357 63.200 -0.066 0.000 0.941 585 S HN 0.534 nan 8.310 nan 0.000 0.430 586 T N 0.905 115.352 114.554 -0.178 0.000 2.737 586 T HA -0.014 4.333 4.350 -0.005 0.000 0.265 586 T C 1.570 175.981 174.700 -0.481 0.000 1.038 586 T CA 1.388 63.253 62.100 -0.391 0.000 1.144 586 T CB -0.370 68.108 68.868 -0.651 0.000 0.866 586 T HN 0.432 nan 8.240 nan 0.000 0.434 587 Y N 0.375 120.689 120.300 0.024 0.000 2.205 587 Y HA 0.157 4.704 4.550 -0.005 0.000 0.292 587 Y C 2.452 178.370 175.900 0.029 0.000 1.119 587 Y CA 0.051 58.179 58.100 0.046 0.000 1.117 587 Y CB -0.280 38.214 38.460 0.056 0.000 1.037 587 Y HN 0.016 nan 8.280 nan 0.000 0.510 588 I N 0.966 121.624 120.570 0.147 0.000 2.072 588 I HA -0.252 3.915 4.170 -0.005 0.000 0.235 588 I C 2.104 178.234 176.117 0.023 0.000 1.058 588 I CA 1.736 63.076 61.300 0.066 0.000 1.320 588 I CB -1.407 36.615 38.000 0.037 0.000 1.047 588 I HN 0.363 nan 8.210 nan 0.000 0.397 589 E N 0.831 121.033 120.200 0.002 0.000 2.058 589 E HA -0.171 4.176 4.350 -0.005 0.000 0.194 589 E C 2.274 178.863 176.600 -0.018 0.000 0.997 589 E CA 1.299 57.691 56.400 -0.014 0.000 0.801 589 E CB -0.492 29.194 29.700 -0.023 0.000 0.746 589 E HN 0.611 nan 8.360 nan 0.000 0.450 590 G N 1.830 110.610 108.800 -0.033 0.000 2.491 590 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.218 590 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.218 590 G C 1.632 176.529 174.900 -0.005 0.000 1.180 590 G CA 0.764 45.840 45.100 -0.040 0.000 0.774 590 G HN 0.070 nan 8.290 nan 0.000 0.562 591 L N -0.061 121.180 121.223 0.030 0.000 2.017 591 L HA -0.039 4.298 4.340 -0.005 0.000 0.208 591 L C 2.970 179.843 176.870 0.004 0.000 1.073 591 L CA 0.673 55.541 54.840 0.046 0.000 0.745 591 L CB -0.476 41.627 42.059 0.073 0.000 0.894 591 L HN 0.181 nan 8.230 nan 0.000 0.432 592 L N -0.337 120.881 121.223 -0.008 0.000 2.129 592 L HA -0.267 4.070 4.340 -0.005 0.000 0.212 592 L C 2.625 179.486 176.870 -0.016 0.000 1.087 592 L CA 1.405 56.233 54.840 -0.019 0.000 0.757 592 L CB -0.482 41.566 42.059 -0.019 0.000 0.896 592 L HN 0.271 nan 8.230 nan 0.000 0.434 593 K N -0.400 119.992 120.400 -0.013 0.000 2.097 593 K HA -0.113 4.204 4.320 -0.005 0.000 0.205 593 K C 1.776 178.369 176.600 -0.011 0.000 1.050 593 K CA 1.589 57.868 56.287 -0.014 0.000 0.938 593 K CB -0.007 32.484 32.500 -0.016 0.000 0.718 593 K HN 0.360 nan 8.250 nan 0.000 0.442 594 V N -2.016 117.895 119.914 -0.005 0.000 3.650 594 V HA 0.119 4.236 4.120 -0.005 0.000 0.271 594 V C 0.743 176.841 176.094 0.006 0.000 1.281 594 V CA -0.395 61.905 62.300 -0.000 0.000 1.120 594 V CB 0.043 31.870 31.823 0.006 0.000 0.856 594 V HN -0.194 nan 8.190 nan 0.000 0.443 595 V N 3.160 123.072 119.914 -0.003 0.000 2.655 595 V HA 0.229 4.346 4.120 -0.005 0.000 0.300 595 V C 0.814 176.913 176.094 0.008 0.000 1.044 595 V CA -0.262 62.034 62.300 -0.007 0.000 1.095 595 V CB 0.415 32.218 31.823 -0.033 0.000 0.952 595 V HN 0.501 nan 8.190 nan 0.000 0.485 596 R N 7.085 127.607 120.500 0.037 0.000 2.316 596 R HA 0.175 4.513 4.340 -0.005 0.000 0.314 596 R C -1.493 174.822 176.300 0.026 0.000 1.069 596 R CA -1.603 54.526 56.100 0.049 0.000 0.959 596 R CB 0.676 31.052 30.300 0.127 0.000 0.987 596 R HN 0.529 nan 8.270 nan 0.000 0.446 597 P HA -0.198 nan 4.420 nan 0.000 0.218 597 P C 0.467 177.772 177.300 0.009 0.000 1.149 597 P CA 1.304 64.406 63.100 0.003 0.000 0.817 597 P CB 0.258 31.957 31.700 -0.001 0.000 0.785 598 D N 0.208 120.621 120.400 0.023 0.000 2.103 598 D HA -0.116 4.521 4.640 -0.005 0.000 0.199 598 D C 1.620 177.935 176.300 0.025 0.000 0.978 598 D CA 2.177 56.193 54.000 0.027 0.000 0.829 598 D CB -1.413 39.412 40.800 0.043 0.000 0.981 598 D HN 0.272 nan 8.370 nan 0.000 0.464 599 T N -3.422 111.157 114.554 0.041 0.000 3.022 599 T HA 0.203 4.550 4.350 -0.005 0.000 0.250 599 T C 0.822 175.519 174.700 -0.006 0.000 1.060 599 T CA -0.133 61.981 62.100 0.022 0.000 1.013 599 T CB 0.047 68.948 68.868 0.055 0.000 0.982 599 T HN 0.158 nan 8.240 nan 0.000 0.508 600 K N 0.659 121.057 120.400 -0.003 0.000 3.160 600 K HA -0.146 4.172 4.320 -0.005 0.000 0.280 600 K C -0.478 176.089 176.600 -0.055 0.000 1.154 600 K CA 0.651 56.919 56.287 -0.031 0.000 0.822 600 K CB -1.340 31.134 32.500 -0.042 0.000 1.239 600 K HN 0.508 nan 8.250 nan 0.000 0.489 601 K N 0.690 121.062 120.400 -0.046 0.000 2.156 601 K HA 0.524 4.841 4.320 -0.005 0.000 0.250 601 K C 0.027 176.533 176.600 -0.156 0.000 0.955 601 K CA -0.818 55.385 56.287 -0.141 0.000 0.855 601 K CB 2.107 34.465 32.500 -0.237 0.000 1.101 601 K HN 0.041 nan 8.250 nan 0.000 0.434 602 V N -0.886 118.892 119.914 -0.226 0.000 2.513 602 V HA 0.427 4.544 4.120 -0.005 0.000 0.299 602 V C -0.590 175.294 176.094 -0.350 0.000 1.035 602 V CA -0.700 61.514 62.300 -0.143 0.000 0.889 602 V CB 1.501 33.325 31.823 0.001 0.000 0.988 602 V HN 0.722 nan 8.190 nan 0.000 0.440 603 H N 2.331 121.327 119.070 -0.122 0.000 2.736 603 H HA 0.378 4.931 4.556 -0.005 0.000 0.271 603 H C 0.247 175.466 175.328 -0.182 0.000 1.184 603 H CA -0.190 55.695 56.048 -0.271 0.000 1.378 603 H CB 1.667 31.007 29.762 -0.703 0.000 1.428 603 H HN 0.881 nan 8.280 nan 0.000 0.500 604 T N 2.549 117.076 114.554 -0.045 0.000 2.766 604 T HA 0.349 4.696 4.350 -0.005 0.000 0.295 604 T C 0.545 175.225 174.700 -0.032 0.000 1.024 604 T CA -0.260 61.771 62.100 -0.116 0.000 1.018 604 T CB 0.332 68.987 68.868 -0.355 0.000 1.002 604 T HN 0.419 nan 8.240 nan 0.000 0.532 605 I N 2.539 123.019 120.570 -0.150 0.000 2.447 605 I HA 0.320 4.487 4.170 -0.005 0.000 0.287 605 I C -0.955 175.070 176.117 -0.154 0.000 1.023 605 I CA -0.715 60.540 61.300 -0.075 0.000 1.083 605 I CB 1.526 39.427 38.000 -0.166 0.000 1.245 605 I HN 0.572 nan 8.210 nan 0.000 0.434 606 F N 4.974 124.994 119.950 0.117 0.000 2.413 606 F HA 0.220 4.744 4.527 -0.005 0.000 0.359 606 F C 0.953 176.783 175.800 0.051 0.000 1.122 606 F CA -0.378 57.667 58.000 0.075 0.000 1.160 606 F CB 0.408 39.448 39.000 0.067 0.000 1.146 606 F HN 0.443 nan 8.300 nan 0.000 0.514 607 N N 3.949 122.755 118.700 0.176 0.000 2.405 607 N HA -0.034 4.703 4.740 -0.005 0.000 0.260 607 N C 0.631 176.156 175.510 0.025 0.000 1.152 607 N CA 0.349 53.445 53.050 0.077 0.000 0.948 607 N CB 0.851 39.364 38.487 0.042 0.000 1.111 607 N HN 0.748 nan 8.380 nan 0.000 0.485 608 Q N 2.723 122.492 119.800 -0.053 0.000 2.392 608 Q HA 0.174 4.511 4.340 -0.005 0.000 0.203 608 Q C -0.253 175.433 176.000 -0.523 0.000 0.917 608 Q CA 0.184 55.893 55.803 -0.158 0.000 0.939 608 Q CB 0.356 29.032 28.738 -0.103 0.000 1.063 608 Q HN 0.634 nan 8.270 nan 0.000 0.516 609 A N 0.573 123.027 122.820 -0.611 0.000 3.129 609 A HA 0.323 4.640 4.320 -0.005 0.000 0.282 609 A C 0.025 177.243 177.584 -0.610 0.000 0.948 609 A CA -0.365 50.952 52.037 -1.201 0.000 1.027 609 A CB 0.145 18.771 19.000 -0.623 0.000 1.123 609 A HN 0.443 nan 8.150 nan 0.000 0.485 610 L N -0.501 120.516 121.223 -0.344 0.000 2.664 610 L HA 0.247 4.584 4.340 -0.005 0.000 0.198 610 L C 1.269 178.254 176.870 0.192 0.000 1.057 610 L CA 1.025 55.877 54.840 0.020 0.000 0.871 610 L CB 0.439 42.511 42.059 0.021 0.000 1.364 610 L HN 0.441 nan 8.230 nan 0.000 0.483 611 T N -1.636 113.036 114.554 0.198 0.000 2.926 611 T HA 0.028 4.375 4.350 -0.005 0.000 0.307 611 T C 0.787 175.639 174.700 0.252 0.000 1.059 611 T CA -0.420 61.802 62.100 0.203 0.000 1.122 611 T CB 0.998 69.960 68.868 0.156 0.000 0.972 611 T HN 0.233 nan 8.240 nan 0.000 0.545 612 Q N 1.671 121.550 119.800 0.131 0.000 2.436 612 Q HA 0.005 4.342 4.340 -0.005 0.000 0.209 612 Q C 2.202 178.215 176.000 0.021 0.000 0.965 612 Q CA 1.526 57.367 55.803 0.064 0.000 0.910 612 Q CB -0.383 28.369 28.738 0.024 0.000 0.980 612 Q HN 1.036 nan 8.270 nan 0.000 0.491 613 T N -4.925 109.658 114.554 0.048 0.000 3.040 613 T HA 0.394 4.741 4.350 -0.005 0.000 0.250 613 T C 1.292 176.019 174.700 0.045 0.000 1.058 613 T CA 0.622 62.738 62.100 0.026 0.000 0.988 613 T CB 0.728 69.609 68.868 0.021 0.000 0.993 613 T HN 0.305 nan 8.240 nan 0.000 0.519 614 G N 1.443 110.317 108.800 0.124 0.000 2.179 614 G HA2 -0.194 3.764 3.960 -0.005 0.000 0.220 614 G HA3 -0.194 3.764 3.960 -0.005 0.000 0.220 614 G C 0.224 175.231 174.900 0.178 0.000 0.990 614 G CA -0.359 44.845 45.100 0.174 0.000 0.646 614 G HN 0.618 nan 8.290 nan 0.000 0.517 615 R N -0.323 120.268 120.500 0.151 0.000 2.726 615 R HA 0.649 4.986 4.340 -0.005 0.000 0.272 615 R C 0.792 177.199 176.300 0.177 0.000 1.097 615 R CA -0.182 56.012 56.100 0.157 0.000 1.198 615 R CB 0.362 30.735 30.300 0.121 0.000 1.114 615 R HN 0.267 nan 8.270 nan 0.000 0.550 616 L N -0.046 121.298 121.223 0.202 0.000 2.400 616 L HA 0.413 4.750 4.340 -0.005 0.000 0.264 616 L C 0.379 177.407 176.870 0.264 0.000 1.061 616 L CA -0.483 54.468 54.840 0.185 0.000 0.799 616 L CB 1.542 43.692 42.059 0.152 0.000 1.240 616 L HN 0.725 nan 8.230 nan 0.000 0.461 617 S N -0.784 115.063 115.700 0.245 0.000 2.632 617 S HA 0.702 5.169 4.470 -0.005 0.000 0.289 617 S C -0.864 173.867 174.600 0.217 0.000 1.115 617 S CA -0.708 57.630 58.200 0.229 0.000 0.889 617 S CB 1.994 65.284 63.200 0.150 0.000 1.116 617 S HN 0.534 nan 8.310 nan 0.000 0.486 618 S N 0.625 116.400 115.700 0.125 0.000 2.538 618 S HA 0.830 5.297 4.470 -0.005 0.000 0.288 618 S C -0.844 173.733 174.600 -0.039 0.000 1.108 618 S CA -0.188 57.989 58.200 -0.038 0.000 0.971 618 S CB 1.204 64.355 63.200 -0.082 0.000 1.041 618 S HN 1.418 nan 8.310 nan 0.000 0.483 619 T N 0.384 114.884 114.554 -0.091 0.000 2.883 619 T HA 0.602 4.949 4.350 -0.005 0.000 0.301 619 T C -0.367 174.298 174.700 -0.058 0.000 1.158 619 T CA -0.643 61.428 62.100 -0.049 0.000 1.007 619 T CB 1.302 70.153 68.868 -0.029 0.000 1.186 619 T HN 0.817 nan 8.240 nan 0.000 0.499 620 E N 1.604 121.786 120.200 -0.031 0.000 2.197 620 E HA -0.142 4.205 4.350 -0.005 0.000 0.184 620 E C -2.319 174.274 176.600 -0.011 0.000 1.439 620 E CA -0.002 56.385 56.400 -0.022 0.000 0.688 620 E CB -0.492 29.189 29.700 -0.031 0.000 1.090 620 E HN 0.568 nan 8.360 nan 0.000 0.341 621 P HA 0.147 nan 4.420 nan 0.000 0.285 621 P C -0.771 176.534 177.300 0.008 0.000 1.280 621 P CA -0.698 62.416 63.100 0.022 0.000 0.862 621 P CB 0.880 32.628 31.700 0.080 0.000 1.153 622 N N 1.465 120.185 118.700 0.033 0.000 2.420 622 N HA 0.084 4.821 4.740 -0.005 0.000 0.262 622 N C 0.334 175.903 175.510 0.098 0.000 1.144 622 N CA 0.051 53.127 53.050 0.043 0.000 0.952 622 N CB -0.430 38.099 38.487 0.070 0.000 1.081 622 N HN 0.331 nan 8.380 nan 0.000 0.480 623 L N 2.731 123.989 121.223 0.058 0.000 2.700 623 L HA 0.186 4.523 4.340 -0.005 0.000 0.234 623 L C 1.046 178.016 176.870 0.167 0.000 1.156 623 L CA 0.132 55.039 54.840 0.111 0.000 0.946 623 L CB 0.098 42.178 42.059 0.034 0.000 1.216 623 L HN 0.530 nan 8.230 nan 0.000 0.493 624 Q N 0.672 120.556 119.800 0.141 0.000 2.219 624 Q HA 0.091 4.428 4.340 -0.005 0.000 0.209 624 Q C 0.375 176.467 176.000 0.153 0.000 0.854 624 Q CA -0.010 55.867 55.803 0.124 0.000 0.960 624 Q CB 0.411 29.178 28.738 0.048 0.000 1.116 624 Q HN 0.431 nan 8.270 nan 0.000 0.500 625 N N -0.401 118.399 118.700 0.167 0.000 2.466 625 N HA 0.065 4.802 4.740 -0.005 0.000 0.272 625 N C -0.567 175.024 175.510 0.135 0.000 1.455 625 N CA -0.229 52.921 53.050 0.167 0.000 0.875 625 N CB 0.362 38.974 38.487 0.209 0.000 1.372 625 N HN -0.068 nan 8.380 nan 0.000 0.492 626 I N 1.670 122.244 120.570 0.006 0.000 2.556 626 I HA 0.254 4.421 4.170 -0.005 0.000 0.284 626 I C -1.778 174.110 176.117 -0.381 0.000 1.114 626 I CA -1.890 59.268 61.300 -0.236 0.000 1.418 626 I CB -0.105 37.675 38.000 -0.366 0.000 1.394 626 I HN -0.066 nan 8.210 nan 0.000 0.552 627 P HA 0.091 nan 4.420 nan 0.000 0.266 627 P C 0.618 177.745 177.300 -0.288 0.000 1.186 627 P CA 0.475 63.346 63.100 -0.381 0.000 0.767 627 P CB 1.023 32.461 31.700 -0.437 0.000 0.820 628 I N 0.738 121.193 120.570 -0.191 0.000 5.362 628 I HA 0.071 4.238 4.170 -0.005 0.000 0.359 628 I C 1.909 177.964 176.117 -0.103 0.000 1.172 628 I CA -0.077 61.121 61.300 -0.170 0.000 1.577 628 I CB 0.172 38.051 38.000 -0.202 0.000 1.845 628 I HN 0.111 nan 8.210 nan 0.000 0.632 629 R N 1.260 121.719 120.500 -0.069 0.000 2.073 629 R HA 0.034 4.371 4.340 -0.005 0.000 0.234 629 R C 0.322 176.604 176.300 -0.030 0.000 1.134 629 R CA 1.105 57.183 56.100 -0.036 0.000 0.952 629 R CB 0.008 30.303 30.300 -0.009 0.000 0.850 629 R HN 0.236 nan 8.270 nan 0.000 0.433 630 L N 1.239 122.444 121.223 -0.029 0.000 2.275 630 L HA 0.135 4.472 4.340 -0.005 0.000 0.288 630 L C 1.076 177.937 176.870 -0.015 0.000 1.046 630 L CA -0.553 54.277 54.840 -0.017 0.000 0.805 630 L CB 1.661 43.716 42.059 -0.007 0.000 1.193 630 L HN 0.096 nan 8.230 nan 0.000 0.426 631 E N 2.385 122.584 120.200 -0.001 0.000 2.086 631 E HA -0.268 4.079 4.350 -0.005 0.000 0.200 631 E C 1.520 178.134 176.600 0.023 0.000 1.012 631 E CA 2.068 58.485 56.400 0.027 0.000 0.812 631 E CB 0.247 29.964 29.700 0.028 0.000 0.743 631 E HN 0.681 nan 8.360 nan 0.000 0.453 632 E N -0.801 119.402 120.200 0.006 0.000 2.049 632 E HA -0.122 4.225 4.350 -0.005 0.000 0.198 632 E C 2.112 178.700 176.600 -0.020 0.000 1.007 632 E CA 1.502 57.901 56.400 -0.001 0.000 0.809 632 E CB -0.780 28.931 29.700 0.018 0.000 0.749 632 E HN 0.431 nan 8.360 nan 0.000 0.450 633 G N 0.340 109.121 108.800 -0.033 0.000 2.421 633 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.217 633 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.217 633 G C 1.527 176.366 174.900 -0.102 0.000 1.143 633 G CA 0.534 45.586 45.100 -0.081 0.000 0.784 633 G HN 0.103 nan 8.290 nan 0.000 0.541 634 R N 0.722 121.190 120.500 -0.053 0.000 2.127 634 R HA -0.048 4.290 4.340 -0.005 0.000 0.238 634 R C 2.219 178.570 176.300 0.085 0.000 1.134 634 R CA 1.352 57.448 56.100 -0.007 0.000 0.975 634 R CB -0.187 30.148 30.300 0.059 0.000 0.865 634 R HN 0.256 nan 8.270 nan 0.000 0.447 635 K N 0.198 120.595 120.400 -0.005 0.000 2.360 635 K HA -0.108 4.209 4.320 -0.005 0.000 0.201 635 K C 1.819 178.353 176.600 -0.109 0.000 1.046 635 K CA 1.000 57.173 56.287 -0.190 0.000 0.945 635 K CB -0.070 32.304 32.500 -0.209 0.000 0.750 635 K HN 0.315 nan 8.250 nan 0.000 0.464 636 I N 0.935 121.479 120.570 -0.043 0.000 2.454 636 I HA -0.269 3.898 4.170 -0.005 0.000 0.254 636 I C 1.998 178.206 176.117 0.151 0.000 1.156 636 I CA 1.184 62.496 61.300 0.020 0.000 1.433 636 I CB -0.201 37.797 38.000 -0.004 0.000 1.082 636 I HN 0.148 nan 8.210 nan 0.000 0.432 637 R N 0.468 121.043 120.500 0.125 0.000 2.285 637 R HA -0.124 4.214 4.340 -0.005 0.000 0.213 637 R C 1.961 178.478 176.300 0.362 0.000 1.068 637 R CA 0.650 56.904 56.100 0.257 0.000 1.004 637 R CB -0.185 30.039 30.300 -0.126 0.000 0.873 637 R HN 0.531 nan 8.270 nan 0.000 0.467 638 Q N -0.130 119.764 119.800 0.156 0.000 2.369 638 Q HA -0.008 4.329 4.340 -0.005 0.000 0.206 638 Q C 1.705 177.765 176.000 0.100 0.000 0.963 638 Q CA 1.051 56.907 55.803 0.087 0.000 0.894 638 Q CB 0.204 28.851 28.738 -0.152 0.000 0.965 638 Q HN 0.320 nan 8.270 nan 0.000 0.475 639 A N -0.050 122.820 122.820 0.084 0.000 2.208 639 A HA 0.067 4.384 4.320 -0.005 0.000 0.209 639 A C 0.089 177.588 177.584 -0.141 0.000 1.161 639 A CA 0.059 52.057 52.037 -0.065 0.000 0.782 639 A CB 0.121 19.014 19.000 -0.178 0.000 0.816 639 A HN 0.158 nan 8.150 nan 0.000 0.477 640 F N 0.643 120.705 119.950 0.187 0.000 2.371 640 F HA 0.455 4.979 4.527 -0.005 0.000 0.363 640 F C 0.329 176.240 175.800 0.185 0.000 1.122 640 F CA -0.564 57.567 58.000 0.220 0.000 1.129 640 F CB 1.464 40.722 39.000 0.430 0.000 1.173 640 F HN 0.059 nan 8.300 nan 0.000 0.489 641 V N 1.803 121.846 119.914 0.215 0.000 3.113 641 V HA 0.756 4.873 4.120 -0.005 0.000 0.316 641 V C -2.830 173.340 176.094 0.127 0.000 1.125 641 V CA -3.259 59.139 62.300 0.162 0.000 1.026 641 V CB 1.850 33.728 31.823 0.091 0.000 1.080 641 V HN 0.319 nan 8.190 nan 0.000 0.444 642 P HA 0.201 nan 4.420 nan 0.000 0.269 642 P C 0.720 178.026 177.300 0.011 0.000 1.215 642 P CA 0.306 63.480 63.100 0.122 0.000 0.780 642 P CB 0.741 32.564 31.700 0.205 0.000 0.898 643 S N -0.182 115.475 115.700 -0.073 0.000 2.562 643 S HA 0.049 4.516 4.470 -0.005 0.000 0.221 643 S C 0.376 174.783 174.600 -0.322 0.000 0.975 643 S CA 0.400 58.492 58.200 -0.180 0.000 0.918 643 S CB -0.367 62.722 63.200 -0.185 0.000 0.772 643 S HN 0.468 nan 8.310 nan 0.000 0.531 644 E N 0.676 120.595 120.200 -0.469 0.000 2.393 644 E HA 0.476 4.823 4.350 -0.005 0.000 0.273 644 E C -1.142 175.301 176.600 -0.262 0.000 0.918 644 E CA -0.810 55.253 56.400 -0.562 0.000 0.773 644 E CB 2.045 31.000 29.700 -1.241 0.000 1.275 644 E HN 0.088 nan 8.360 nan 0.000 0.451 645 S N 1.730 117.351 115.700 -0.133 0.000 2.562 645 S HA 0.020 4.487 4.470 -0.005 0.000 0.281 645 S C -0.104 174.598 174.600 0.169 0.000 1.333 645 S CA 0.034 58.247 58.200 0.021 0.000 1.052 645 S CB 0.110 63.320 63.200 0.016 0.000 0.884 645 S HN 0.648 nan 8.310 nan 0.000 0.506 646 D N -0.405 120.106 120.400 0.185 0.000 3.041 646 D HA -0.136 4.501 4.640 -0.005 0.000 0.220 646 D C -0.909 175.590 176.300 0.331 0.000 1.157 646 D CA 1.004 55.135 54.000 0.218 0.000 0.876 646 D CB -1.036 39.868 40.800 0.173 0.000 1.107 646 D HN 0.502 nan 8.370 nan 0.000 0.422 647 W N 0.062 121.364 121.300 0.003 0.000 2.576 647 W HA 0.734 5.391 4.660 -0.005 0.000 0.360 647 W C 0.535 177.067 176.519 0.021 0.000 1.109 647 W CA -0.429 56.909 57.345 -0.012 0.000 1.237 647 W CB 0.771 30.213 29.460 -0.030 0.000 1.369 647 W HN -0.180 nan 8.180 nan 0.000 0.609 648 L N 2.760 124.105 121.223 0.203 0.000 2.359 648 L HA 0.500 4.837 4.340 -0.005 0.000 0.256 648 L C -0.700 176.288 176.870 0.196 0.000 1.026 648 L CA -1.348 53.608 54.840 0.194 0.000 0.828 648 L CB 1.762 43.927 42.059 0.176 0.000 1.406 648 L HN 0.002 nan 8.230 nan 0.000 0.413 649 I N 1.501 122.209 120.570 0.230 0.000 2.365 649 I HA 0.291 4.458 4.170 -0.005 0.000 0.291 649 I C -0.669 175.621 176.117 0.289 0.000 1.004 649 I CA 0.040 61.466 61.300 0.211 0.000 1.311 649 I CB 1.011 39.127 38.000 0.192 0.000 1.401 649 I HN 0.361 nan 8.210 nan 0.000 0.491 650 F N 5.696 125.695 119.950 0.082 0.000 2.493 650 F HA 0.722 5.246 4.527 -0.005 0.000 0.329 650 F C -0.413 175.439 175.800 0.087 0.000 1.126 650 F CA -0.487 57.583 58.000 0.117 0.000 0.937 650 F CB 1.500 40.505 39.000 0.008 0.000 1.146 650 F HN 0.506 nan 8.300 nan 0.000 0.442 651 A N 4.651 127.341 122.820 -0.217 0.000 2.356 651 A HA 0.910 5.227 4.320 -0.005 0.000 0.310 651 A C -1.477 175.986 177.584 -0.202 0.000 1.075 651 A CA -0.338 51.656 52.037 -0.073 0.000 0.746 651 A CB 1.041 20.096 19.000 0.092 0.000 1.221 651 A HN 1.194 nan 8.150 nan 0.000 0.443 652 A N 2.892 125.685 122.820 -0.044 0.000 2.356 652 A HA 0.785 5.103 4.320 -0.005 0.000 0.310 652 A C -1.143 176.416 177.584 -0.041 0.000 1.075 652 A CA -0.491 51.524 52.037 -0.036 0.000 0.746 652 A CB 1.015 20.052 19.000 0.061 0.000 1.221 652 A HN 0.925 nan 8.150 nan 0.000 0.443 653 D N 1.290 121.660 120.400 -0.049 0.000 2.738 653 D HA 0.388 5.025 4.640 -0.005 0.000 0.237 653 D C -1.264 175.005 176.300 -0.051 0.000 1.123 653 D CA -0.318 53.667 54.000 -0.026 0.000 0.856 653 D CB 0.919 41.757 40.800 0.063 0.000 1.552 653 D HN 0.415 nan 8.370 nan 0.000 0.480 654 Y N 0.424 120.744 120.300 0.034 0.000 2.411 654 Y HA 0.177 4.724 4.550 -0.005 0.000 0.333 654 Y C 1.408 177.313 175.900 0.008 0.000 1.186 654 Y CA 0.131 58.236 58.100 0.009 0.000 1.381 654 Y CB 1.239 39.692 38.460 -0.012 0.000 1.273 654 Y HN 0.306 nan 8.280 nan 0.000 0.546 655 S N 4.224 120.023 115.700 0.164 0.000 2.422 655 S HA 0.124 4.591 4.470 -0.005 0.000 0.298 655 S C -0.464 174.170 174.600 0.056 0.000 1.118 655 S CA -0.736 57.525 58.200 0.101 0.000 1.083 655 S CB 0.061 63.310 63.200 0.082 0.000 0.971 655 S HN 0.718 nan 8.310 nan 0.000 0.478 656 Q N 2.865 122.701 119.800 0.060 0.000 2.452 656 Q HA -0.216 4.121 4.340 -0.005 0.000 0.318 656 Q C 0.638 176.571 176.000 -0.112 0.000 1.386 656 Q CA 0.712 56.525 55.803 0.018 0.000 0.872 656 Q CB -2.192 26.599 28.738 0.088 0.000 1.151 656 Q HN 0.911 nan 8.270 nan 0.000 0.417 657 I N -0.753 119.766 120.570 -0.085 0.000 2.286 657 I HA -0.271 3.896 4.170 -0.005 0.000 0.248 657 I C 2.049 178.055 176.117 -0.185 0.000 1.115 657 I CA 1.488 62.672 61.300 -0.193 0.000 1.392 657 I CB 0.246 38.091 38.000 -0.259 0.000 1.065 657 I HN 0.368 nan 8.210 nan 0.000 0.418 658 E N 0.555 120.691 120.200 -0.106 0.000 2.051 658 E HA -0.236 4.111 4.350 -0.005 0.000 0.192 658 E C 2.253 178.816 176.600 -0.062 0.000 0.991 658 E CA 1.444 57.801 56.400 -0.072 0.000 0.799 658 E CB -0.152 29.527 29.700 -0.035 0.000 0.748 658 E HN 0.510 nan 8.360 nan 0.000 0.449 659 L N 0.402 121.610 121.223 -0.025 0.000 2.141 659 L HA -0.150 4.187 4.340 -0.005 0.000 0.209 659 L C 2.531 179.380 176.870 -0.033 0.000 1.094 659 L CA 0.947 55.832 54.840 0.075 0.000 0.763 659 L CB -0.216 42.021 42.059 0.297 0.000 0.908 659 L HN 0.050 nan 8.230 nan 0.000 0.437 660 R N -0.885 119.362 120.500 -0.422 0.000 2.090 660 R HA -0.087 4.250 4.340 -0.005 0.000 0.228 660 R C 2.258 178.419 176.300 -0.231 0.000 1.110 660 R CA 0.881 56.612 56.100 -0.615 0.000 0.973 660 R CB -0.298 29.554 30.300 -0.747 0.000 0.869 660 R HN 0.137 nan 8.270 nan 0.000 0.440 661 V N 1.393 121.193 119.914 -0.190 0.000 2.343 661 V HA -0.222 3.895 4.120 -0.005 0.000 0.247 661 V C 2.150 178.202 176.094 -0.069 0.000 1.051 661 V CA 1.437 63.663 62.300 -0.122 0.000 1.036 661 V CB -0.393 31.348 31.823 -0.137 0.000 0.654 661 V HN 0.245 nan 8.190 nan 0.000 0.451 662 L N 1.030 122.204 121.223 -0.082 0.000 2.042 662 L HA -0.108 4.229 4.340 -0.005 0.000 0.210 662 L C 2.454 179.280 176.870 -0.074 0.000 1.076 662 L CA 2.456 57.225 54.840 -0.118 0.000 0.749 662 L CB -1.032 41.002 42.059 -0.042 0.000 0.893 662 L HN 0.224 nan 8.230 nan 0.000 0.432 663 A N -1.306 121.536 122.820 0.037 0.000 1.908 663 A HA -0.321 3.996 4.320 -0.005 0.000 0.218 663 A C 2.287 179.901 177.584 0.051 0.000 1.181 663 A CA 1.927 54.022 52.037 0.097 0.000 0.627 663 A CB -1.093 18.055 19.000 0.246 0.000 0.818 663 A HN 0.764 nan 8.150 nan 0.000 0.445 664 H N -0.168 118.871 119.070 -0.052 0.000 2.293 664 H HA -0.038 4.515 4.556 -0.005 0.000 0.300 664 H C 1.761 177.042 175.328 -0.078 0.000 1.082 664 H CA 2.133 58.145 56.048 -0.059 0.000 1.308 664 H CB -0.260 29.451 29.762 -0.084 0.000 1.375 664 H HN 0.409 nan 8.280 nan 0.000 0.495 665 I N 0.194 120.681 120.570 -0.139 0.000 2.226 665 I HA -0.213 3.954 4.170 -0.005 0.000 0.245 665 I C 2.588 178.562 176.117 -0.238 0.000 1.100 665 I CA 1.170 62.331 61.300 -0.231 0.000 1.374 665 I CB -0.405 37.416 38.000 -0.298 0.000 1.057 665 I HN 0.443 nan 8.210 nan 0.000 0.413 666 A N -0.398 122.273 122.820 -0.249 0.000 2.119 666 A HA -0.076 4.241 4.320 -0.005 0.000 0.216 666 A C 1.054 178.630 177.584 -0.013 0.000 1.152 666 A CA 0.309 52.301 52.037 -0.076 0.000 0.708 666 A CB -0.343 18.646 19.000 -0.018 0.000 0.805 666 A HN 0.513 nan 8.150 nan 0.000 0.460 667 E N 0.450 120.615 120.200 -0.059 0.000 2.297 667 E HA -0.183 4.164 4.350 -0.005 0.000 0.228 667 E C -0.650 175.966 176.600 0.027 0.000 1.213 667 E CA 0.634 57.014 56.400 -0.035 0.000 0.712 667 E CB -1.301 28.367 29.700 -0.053 0.000 1.202 667 E HN 0.724 nan 8.360 nan 0.000 0.376 668 D N 0.590 121.028 120.400 0.064 0.000 2.316 668 D HA 0.004 4.641 4.640 -0.005 0.000 0.245 668 D C 0.777 177.140 176.300 0.104 0.000 1.171 668 D CA -0.311 53.755 54.000 0.110 0.000 0.856 668 D CB 0.769 41.677 40.800 0.181 0.000 1.090 668 D HN 0.029 nan 8.370 nan 0.000 0.476 669 D N 3.383 123.825 120.400 0.070 0.000 2.116 669 D HA -0.216 4.421 4.640 -0.005 0.000 0.193 669 D C 1.498 177.831 176.300 0.055 0.000 0.998 669 D CA 1.070 55.099 54.000 0.048 0.000 0.836 669 D CB 0.022 40.833 40.800 0.019 0.000 0.951 669 D HN 0.487 nan 8.370 nan 0.000 0.449 670 N N 0.277 119.007 118.700 0.051 0.000 2.084 670 N HA -0.129 4.608 4.740 -0.005 0.000 0.190 670 N C 1.727 177.335 175.510 0.163 0.000 1.030 670 N CA 0.549 53.614 53.050 0.025 0.000 0.849 670 N CB -0.398 37.981 38.487 -0.180 0.000 1.012 670 N HN 0.055 nan 8.380 nan 0.000 0.423 671 L N 0.427 121.839 121.223 0.315 0.000 2.056 671 L HA 0.059 4.396 4.340 -0.005 0.000 0.207 671 L C 2.182 179.133 176.870 0.134 0.000 1.078 671 L CA 1.455 56.419 54.840 0.207 0.000 0.749 671 L CB -0.519 41.613 42.059 0.121 0.000 0.901 671 L HN 0.273 nan 8.230 nan 0.000 0.433 672 M N -1.174 118.522 119.600 0.160 0.000 2.132 672 M HA -0.196 4.281 4.480 -0.005 0.000 0.263 672 M C 2.151 178.530 176.300 0.132 0.000 1.065 672 M CA 1.787 57.193 55.300 0.176 0.000 1.122 672 M CB -0.372 32.301 32.600 0.121 0.000 1.365 672 M HN 0.234 nan 8.290 nan 0.000 0.411 673 E N 0.939 121.184 120.200 0.075 0.000 2.077 673 E HA -0.144 4.203 4.350 -0.005 0.000 0.193 673 E C 1.827 178.435 176.600 0.013 0.000 0.989 673 E CA 1.853 58.278 56.400 0.041 0.000 0.800 673 E CB -0.174 29.536 29.700 0.016 0.000 0.746 673 E HN 0.385 nan 8.360 nan 0.000 0.452 674 A N -0.157 122.639 122.820 -0.040 0.000 1.892 674 A HA -0.170 4.147 4.320 -0.005 0.000 0.218 674 A C 2.200 179.677 177.584 -0.177 0.000 1.188 674 A CA 1.689 53.630 52.037 -0.160 0.000 0.631 674 A CB -1.091 17.730 19.000 -0.299 0.000 0.822 674 A HN 0.428 nan 8.150 nan 0.000 0.447 675 F N -0.803 119.164 119.950 0.028 0.000 2.325 675 F HA -0.045 4.480 4.527 -0.005 0.000 0.299 675 F C 2.575 178.386 175.800 0.019 0.000 1.090 675 F CA 0.991 59.001 58.000 0.017 0.000 1.392 675 F CB -0.078 38.930 39.000 0.013 0.000 1.053 675 F HN 0.090 nan 8.300 nan 0.000 0.521 676 R N 0.158 120.767 120.500 0.181 0.000 2.152 676 R HA -0.071 4.266 4.340 -0.005 0.000 0.232 676 R C 1.743 178.090 176.300 0.079 0.000 1.117 676 R CA 0.957 57.126 56.100 0.114 0.000 0.981 676 R CB -0.170 30.180 30.300 0.083 0.000 0.870 676 R HN 0.251 nan 8.270 nan 0.000 0.451 677 R N 0.121 120.656 120.500 0.058 0.000 2.317 677 R HA -0.004 4.333 4.340 -0.005 0.000 0.208 677 R C -0.116 176.208 176.300 0.041 0.000 0.914 677 R CA 0.177 56.297 56.100 0.033 0.000 1.060 677 R CB 0.156 30.460 30.300 0.006 0.000 1.015 677 R HN 0.045 nan 8.270 nan 0.000 0.498 678 D N 1.129 121.576 120.400 0.079 0.000 2.708 678 D HA -0.165 4.472 4.640 -0.005 0.000 0.236 678 D C -0.746 175.583 176.300 0.048 0.000 1.146 678 D CA 0.533 54.595 54.000 0.103 0.000 0.662 678 D CB -0.993 39.859 40.800 0.087 0.000 1.059 678 D HN 0.187 nan 8.370 nan 0.000 0.428 679 L N -0.053 121.164 121.223 -0.011 0.000 2.464 679 L HA 0.216 4.553 4.340 -0.005 0.000 0.264 679 L C 1.144 177.979 176.870 -0.058 0.000 1.199 679 L CA -0.469 54.344 54.840 -0.046 0.000 0.818 679 L CB 0.314 42.321 42.059 -0.086 0.000 1.102 679 L HN 0.108 nan 8.230 nan 0.000 0.473 680 D N 1.434 121.808 120.400 -0.044 0.000 2.346 680 D HA -0.027 4.610 4.640 -0.005 0.000 0.260 680 D C 0.708 176.940 176.300 -0.113 0.000 1.252 680 D CA -0.072 53.900 54.000 -0.047 0.000 0.895 680 D CB 0.882 41.677 40.800 -0.008 0.000 1.097 680 D HN 0.393 nan 8.370 nan 0.000 0.489 681 I N 5.060 125.503 120.570 -0.211 0.000 2.361 681 I HA -0.250 3.917 4.170 -0.005 0.000 0.251 681 I C 1.699 177.687 176.117 -0.215 0.000 1.133 681 I CA 1.476 62.594 61.300 -0.302 0.000 1.413 681 I CB -0.212 37.570 38.000 -0.363 0.000 1.073 681 I HN 0.506 nan 8.210 nan 0.000 0.424 682 H N -0.790 118.272 119.070 -0.014 0.000 2.403 682 H HA 0.025 4.578 4.556 -0.005 0.000 0.298 682 H C 2.196 177.511 175.328 -0.022 0.000 1.059 682 H CA 1.711 57.738 56.048 -0.034 0.000 1.363 682 H CB -0.880 28.851 29.762 -0.052 0.000 1.410 682 H HN 0.281 nan 8.280 nan 0.000 0.528 683 T N 1.221 115.826 114.554 0.085 0.000 2.777 683 T HA -0.125 4.222 4.350 -0.005 0.000 0.266 683 T C 2.111 176.829 174.700 0.029 0.000 1.040 683 T CA 1.637 63.768 62.100 0.053 0.000 1.141 683 T CB 0.097 68.983 68.868 0.030 0.000 0.868 683 T HN 0.182 nan 8.240 nan 0.000 0.444 684 K N 1.333 121.733 120.400 -0.001 0.000 2.057 684 K HA -0.072 4.245 4.320 -0.005 0.000 0.207 684 K C 2.197 178.816 176.600 0.032 0.000 1.049 684 K CA 1.788 58.071 56.287 -0.007 0.000 0.931 684 K CB -0.959 31.514 32.500 -0.045 0.000 0.714 684 K HN 0.214 nan 8.250 nan 0.000 0.440 685 T N 0.434 115.029 114.554 0.068 0.000 2.777 685 T HA -0.057 4.290 4.350 -0.005 0.000 0.266 685 T C 1.822 176.499 174.700 -0.038 0.000 1.040 685 T CA 1.341 63.508 62.100 0.111 0.000 1.141 685 T CB -0.520 68.432 68.868 0.140 0.000 0.868 685 T HN 0.404 nan 8.240 nan 0.000 0.444 686 A N 1.519 124.328 122.820 -0.020 0.000 1.877 686 A HA -0.091 4.226 4.320 -0.005 0.000 0.216 686 A C 2.343 179.950 177.584 0.039 0.000 1.186 686 A CA 1.644 53.688 52.037 0.013 0.000 0.620 686 A CB -0.746 18.368 19.000 0.190 0.000 0.822 686 A HN 0.450 nan 8.150 nan 0.000 0.443 687 M N -0.581 119.038 119.600 0.031 0.000 2.108 687 M HA -0.200 4.277 4.480 -0.005 0.000 0.261 687 M C 1.570 177.846 176.300 -0.040 0.000 1.066 687 M CA 1.905 57.214 55.300 0.014 0.000 1.107 687 M CB -0.546 32.049 32.600 -0.007 0.000 1.356 687 M HN 0.345 nan 8.290 nan 0.000 0.406 688 D N 0.427 120.767 120.400 -0.100 0.000 2.091 688 D HA -0.075 4.562 4.640 -0.005 0.000 0.199 688 D C 1.838 178.020 176.300 -0.197 0.000 0.980 688 D CA 1.358 55.255 54.000 -0.172 0.000 0.831 688 D CB -0.407 40.227 40.800 -0.277 0.000 0.987 688 D HN 0.545 nan 8.370 nan 0.000 0.460 689 I N -2.893 117.502 120.570 -0.291 0.000 2.928 689 I HA -0.026 4.141 4.170 -0.005 0.000 0.266 689 I C 0.907 176.758 176.117 -0.444 0.000 1.234 689 I CA 0.977 62.026 61.300 -0.417 0.000 1.483 689 I CB -0.160 37.471 38.000 -0.616 0.000 1.097 689 I HN -0.230 nan 8.210 nan 0.000 0.455 690 F N 1.530 121.428 119.950 -0.086 0.000 2.682 690 F HA 0.330 4.854 4.527 -0.005 0.000 0.308 690 F C 0.468 176.241 175.800 -0.045 0.000 1.093 690 F CA -0.933 57.024 58.000 -0.072 0.000 1.244 690 F CB -0.469 38.475 39.000 -0.093 0.000 1.052 690 F HN 0.116 nan 8.300 nan 0.000 0.573 691 Q N 0.979 120.824 119.800 0.076 0.000 2.443 691 Q HA -0.079 4.258 4.340 -0.005 0.000 0.362 691 Q C -0.778 175.251 176.000 0.048 0.000 1.423 691 Q CA 0.477 56.301 55.803 0.035 0.000 1.037 691 Q CB -1.576 27.179 28.738 0.029 0.000 1.208 691 Q HN 0.295 nan 8.270 nan 0.000 0.334 692 V N -2.909 117.030 119.914 0.042 0.000 3.216 692 V HA 0.842 4.959 4.120 -0.005 0.000 0.302 692 V C 0.243 176.346 176.094 0.014 0.000 1.286 692 V CA -0.520 61.799 62.300 0.031 0.000 1.048 692 V CB 2.139 33.989 31.823 0.044 0.000 1.081 692 V HN 0.501 nan 8.190 nan 0.000 0.442 693 S N -0.262 115.441 115.700 0.006 0.000 2.624 693 S HA 0.330 4.797 4.470 -0.005 0.000 0.263 693 S C 0.951 175.553 174.600 0.003 0.000 1.287 693 S CA 0.583 58.782 58.200 -0.001 0.000 0.990 693 S CB 1.120 64.317 63.200 -0.004 0.000 0.950 693 S HN 1.129 nan 8.310 nan 0.000 0.561 694 E N 0.406 120.606 120.200 -0.001 0.000 2.085 694 E HA -0.239 4.108 4.350 -0.005 0.000 0.194 694 E C 0.821 177.422 176.600 0.002 0.000 0.994 694 E CA 1.672 58.073 56.400 0.002 0.000 0.801 694 E CB -0.244 29.454 29.700 -0.003 0.000 0.743 694 E HN 0.710 nan 8.360 nan 0.000 0.453 695 D N 0.352 120.751 120.400 -0.002 0.000 2.264 695 D HA -0.124 4.513 4.640 -0.005 0.000 0.208 695 D C 1.159 177.456 176.300 -0.006 0.000 0.966 695 D CA 0.878 54.875 54.000 -0.004 0.000 0.864 695 D CB -0.048 40.748 40.800 -0.006 0.000 0.933 695 D HN 0.407 nan 8.370 nan 0.000 0.499 696 E N 0.041 120.239 120.200 -0.004 0.000 2.489 696 E HA 0.043 4.390 4.350 -0.005 0.000 0.193 696 E C 0.148 176.742 176.600 -0.010 0.000 1.057 696 E CA -0.089 56.306 56.400 -0.008 0.000 0.866 696 E CB 0.791 30.488 29.700 -0.004 0.000 0.916 696 E HN -0.013 nan 8.360 nan 0.000 0.500 697 V N 3.242 123.157 119.914 0.001 0.000 2.415 697 V HA 0.007 4.125 4.120 -0.005 0.000 0.267 697 V C 0.729 176.814 176.094 -0.015 0.000 1.042 697 V CA -0.050 62.254 62.300 0.006 0.000 1.000 697 V CB 0.317 32.159 31.823 0.031 0.000 1.015 697 V HN 0.225 nan 8.190 nan 0.000 0.478 698 T N 3.701 118.228 114.554 -0.044 0.000 2.874 698 T HA 0.347 4.694 4.350 -0.005 0.000 0.281 698 T C -1.675 172.998 174.700 -0.045 0.000 0.994 698 T CA -1.861 60.208 62.100 -0.051 0.000 1.015 698 T CB 1.489 70.311 68.868 -0.077 0.000 1.028 698 T HN 0.351 nan 8.240 nan 0.000 0.523 699 P HA -0.088 nan 4.420 nan 0.000 0.216 699 P C 1.430 178.703 177.300 -0.044 0.000 1.153 699 P CA 0.979 64.060 63.100 -0.033 0.000 0.858 699 P CB -0.036 31.646 31.700 -0.030 0.000 0.789 700 N N -1.388 117.275 118.700 -0.061 0.000 2.188 700 N HA -0.100 4.637 4.740 -0.005 0.000 0.184 700 N C 1.648 177.104 175.510 -0.090 0.000 1.018 700 N CA 1.188 54.195 53.050 -0.070 0.000 0.858 700 N CB -0.557 37.882 38.487 -0.080 0.000 0.989 700 N HN 0.017 nan 8.380 nan 0.000 0.426 701 M N -0.430 119.089 119.600 -0.135 0.000 2.117 701 M HA -0.123 4.354 4.480 -0.005 0.000 0.262 701 M C 2.276 178.628 176.300 0.086 0.000 1.065 701 M CA 1.227 56.433 55.300 -0.157 0.000 1.114 701 M CB -0.118 32.348 32.600 -0.223 0.000 1.361 701 M HN 0.149 nan 8.290 nan 0.000 0.408 702 R N 0.292 120.810 120.500 0.029 0.000 2.075 702 R HA -0.136 4.202 4.340 -0.005 0.000 0.232 702 R C 2.296 178.569 176.300 -0.044 0.000 1.126 702 R CA 1.444 57.562 56.100 0.029 0.000 0.963 702 R CB -0.189 30.122 30.300 0.019 0.000 0.858 702 R HN 0.249 nan 8.270 nan 0.000 0.435 703 R N 0.386 120.848 120.500 -0.062 0.000 2.105 703 R HA -0.171 4.166 4.340 -0.005 0.000 0.239 703 R C 2.058 178.283 176.300 -0.124 0.000 1.135 703 R CA 2.008 58.042 56.100 -0.111 0.000 0.967 703 R CB -0.035 30.222 30.300 -0.070 0.000 0.861 703 R HN 0.420 nan 8.270 nan 0.000 0.442 704 Q N -0.740 119.037 119.800 -0.039 0.000 2.137 704 Q HA -0.011 4.326 4.340 -0.005 0.000 0.198 704 Q C 2.127 178.080 176.000 -0.079 0.000 0.960 704 Q CA 1.097 56.898 55.803 -0.003 0.000 0.847 704 Q CB 0.066 28.872 28.738 0.115 0.000 0.915 704 Q HN 0.419 nan 8.270 nan 0.000 0.448 705 A N 1.757 124.547 122.820 -0.049 0.000 1.972 705 A HA -0.218 4.099 4.320 -0.005 0.000 0.219 705 A C 2.026 179.494 177.584 -0.193 0.000 1.169 705 A CA 1.548 53.508 52.037 -0.129 0.000 0.635 705 A CB -0.363 18.613 19.000 -0.039 0.000 0.810 705 A HN 0.200 nan 8.150 nan 0.000 0.446 706 K N -0.230 119.964 120.400 -0.343 0.000 2.026 706 K HA -0.077 4.240 4.320 -0.005 0.000 0.208 706 K C 2.141 178.207 176.600 -0.891 0.000 1.048 706 K CA 1.222 57.012 56.287 -0.828 0.000 0.929 706 K CB -0.349 31.523 32.500 -1.047 0.000 0.713 706 K HN 0.343 nan 8.250 nan 0.000 0.439 707 A N 0.613 123.103 122.820 -0.549 0.000 1.972 707 A HA -0.101 4.216 4.320 -0.005 0.000 0.219 707 A C 2.170 179.606 177.584 -0.246 0.000 1.169 707 A CA 1.580 53.395 52.037 -0.369 0.000 0.635 707 A CB -0.483 18.425 19.000 -0.152 0.000 0.810 707 A HN 0.197 nan 8.150 nan 0.000 0.446 708 V N 0.678 120.457 119.914 -0.225 0.000 2.453 708 V HA -0.201 3.916 4.120 -0.005 0.000 0.247 708 V C 2.250 178.173 176.094 -0.285 0.000 1.048 708 V CA 1.888 64.060 62.300 -0.213 0.000 1.049 708 V CB -0.887 30.810 31.823 -0.209 0.000 0.672 708 V HN 0.533 nan 8.190 nan 0.000 0.457 709 N N 0.293 118.858 118.700 -0.224 0.000 2.120 709 N HA -0.094 4.643 4.740 -0.005 0.000 0.188 709 N C 1.823 177.357 175.510 0.040 0.000 1.024 709 N CA 1.640 54.634 53.050 -0.094 0.000 0.852 709 N CB -0.390 38.173 38.487 0.128 0.000 1.003 709 N HN 0.535 nan 8.380 nan 0.000 0.424 710 F N 0.511 120.313 119.950 -0.246 0.000 2.186 710 F HA -0.044 4.480 4.527 -0.005 0.000 0.299 710 F C 2.545 177.998 175.800 -0.577 0.000 1.090 710 F CA 0.371 58.100 58.000 -0.451 0.000 1.307 710 F CB -0.356 38.410 39.000 -0.390 0.000 1.019 710 F HN 0.132 nan 8.300 nan 0.000 0.489 711 G N 0.977 109.705 108.800 -0.120 0.000 2.418 711 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.217 711 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.217 711 G C 1.551 176.410 174.900 -0.069 0.000 1.158 711 G CA 0.527 45.587 45.100 -0.068 0.000 0.771 711 G HN 0.124 nan 8.290 nan 0.000 0.545 712 I N 1.086 121.548 120.570 -0.181 0.000 2.163 712 I HA -0.137 4.030 4.170 -0.005 0.000 0.243 712 I C 2.958 179.077 176.117 0.003 0.000 1.085 712 I CA 0.851 62.053 61.300 -0.164 0.000 1.347 712 I CB -1.168 36.565 38.000 -0.445 0.000 1.044 712 I HN 0.036 nan 8.210 nan 0.000 0.408 713 V N -0.068 119.822 119.914 -0.039 0.000 2.490 713 V HA -0.270 3.847 4.120 -0.005 0.000 0.250 713 V C 2.077 178.317 176.094 0.243 0.000 1.061 713 V CA 1.557 63.888 62.300 0.052 0.000 1.064 713 V CB -0.829 30.961 31.823 -0.055 0.000 0.670 713 V HN 0.408 nan 8.190 nan 0.000 0.461 714 Y N -0.232 120.115 120.300 0.079 0.000 2.466 714 Y HA 0.340 4.887 4.550 -0.005 0.000 0.272 714 Y C 1.917 177.875 175.900 0.096 0.000 1.169 714 Y CA -0.013 58.138 58.100 0.084 0.000 1.285 714 Y CB 0.318 38.825 38.460 0.079 0.000 1.078 714 Y HN 0.402 nan 8.280 nan 0.000 0.523 715 G N 2.246 111.189 108.800 0.239 0.000 2.176 715 G HA2 -0.341 3.616 3.960 -0.005 0.000 0.252 715 G HA3 -0.341 3.616 3.960 -0.005 0.000 0.252 715 G C 0.189 175.190 174.900 0.170 0.000 1.024 715 G CA 0.138 45.351 45.100 0.188 0.000 0.755 715 G HN 0.475 nan 8.290 nan 0.000 0.507 716 I N 1.432 122.102 120.570 0.166 0.000 3.017 716 I HA 0.201 4.369 4.170 -0.005 0.000 0.310 716 I C 1.221 177.415 176.117 0.129 0.000 1.220 716 I CA 0.958 62.344 61.300 0.143 0.000 1.450 716 I CB 0.487 38.551 38.000 0.106 0.000 1.317 716 I HN 0.546 nan 8.210 nan 0.000 0.570 717 S N 3.350 119.132 115.700 0.136 0.000 2.690 717 S HA 0.268 4.735 4.470 -0.005 0.000 0.291 717 S C 0.588 175.275 174.600 0.146 0.000 1.138 717 S CA -0.240 58.051 58.200 0.151 0.000 1.013 717 S CB 1.613 64.914 63.200 0.168 0.000 1.053 717 S HN 0.719 nan 8.310 nan 0.000 0.539 718 D N 0.055 120.543 120.400 0.147 0.000 2.221 718 D HA -0.215 4.422 4.640 -0.005 0.000 0.204 718 D C 1.314 177.675 176.300 0.102 0.000 0.982 718 D CA 1.360 55.423 54.000 0.106 0.000 0.857 718 D CB -0.502 40.358 40.800 0.101 0.000 0.934 718 D HN 0.673 nan 8.370 nan 0.000 0.475 719 Y N 1.156 121.484 120.300 0.047 0.000 2.206 719 Y HA 0.121 4.669 4.550 -0.005 0.000 0.292 719 Y C 2.673 178.595 175.900 0.035 0.000 1.123 719 Y CA 1.736 59.857 58.100 0.035 0.000 1.142 719 Y CB -0.341 38.145 38.460 0.044 0.000 1.006 719 Y HN 0.039 nan 8.280 nan 0.000 0.518 720 G N 0.009 108.967 108.800 0.262 0.000 2.498 720 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.219 720 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.219 720 G C 1.404 176.350 174.900 0.077 0.000 1.119 720 G CA 0.926 46.130 45.100 0.174 0.000 0.766 720 G HN 0.416 nan 8.290 nan 0.000 0.552 721 L N 0.720 121.974 121.223 0.051 0.000 2.270 721 L HA 0.415 4.752 4.340 -0.005 0.000 0.210 721 L C 2.800 179.661 176.870 -0.016 0.000 1.104 721 L CA 1.569 56.429 54.840 0.034 0.000 0.804 721 L CB -0.398 41.687 42.059 0.044 0.000 0.937 721 L HN 0.162 nan 8.230 nan 0.000 0.450 722 A N -1.241 121.520 122.820 -0.097 0.000 1.898 722 A HA -0.149 4.168 4.320 -0.005 0.000 0.214 722 A C 2.213 179.706 177.584 -0.151 0.000 1.183 722 A CA 1.149 53.089 52.037 -0.163 0.000 0.622 722 A CB -0.591 18.235 19.000 -0.289 0.000 0.824 722 A HN 0.487 nan 8.150 nan 0.000 0.444 723 Q N 0.446 120.141 119.800 -0.174 0.000 2.135 723 Q HA -0.230 4.107 4.340 -0.005 0.000 0.204 723 Q C 1.842 177.835 176.000 -0.013 0.000 0.981 723 Q CA 2.222 57.971 55.803 -0.090 0.000 0.856 723 Q CB -0.392 28.337 28.738 -0.015 0.000 0.902 723 Q HN 0.715 nan 8.270 nan 0.000 0.425 724 N N -0.381 118.326 118.700 0.011 0.000 2.135 724 N HA -0.057 4.681 4.740 -0.005 0.000 0.186 724 N C 1.607 177.132 175.510 0.026 0.000 1.027 724 N CA 0.950 54.023 53.050 0.038 0.000 0.849 724 N CB -0.096 38.429 38.487 0.062 0.000 1.002 724 N HN 0.218 nan 8.380 nan 0.000 0.425 725 L N -0.156 121.077 121.223 0.018 0.000 2.591 725 L HA 0.149 4.486 4.340 -0.005 0.000 0.228 725 L C 0.223 177.097 176.870 0.008 0.000 1.133 725 L CA -0.063 54.793 54.840 0.028 0.000 0.880 725 L CB -0.588 41.513 42.059 0.071 0.000 1.033 725 L HN 0.281 nan 8.230 nan 0.000 0.450 726 N N 0.981 119.672 118.700 -0.015 0.000 2.714 726 N HA -0.206 4.531 4.740 -0.005 0.000 0.253 726 N C -0.589 174.898 175.510 -0.039 0.000 1.024 726 N CA 0.490 53.524 53.050 -0.026 0.000 0.726 726 N CB -0.597 37.889 38.487 -0.001 0.000 0.908 726 N HN 0.164 nan 8.380 nan 0.000 0.542 727 I N -1.751 118.777 120.570 -0.071 0.000 3.516 727 I HA 0.451 4.618 4.170 -0.005 0.000 0.297 727 I C 1.235 177.274 176.117 -0.131 0.000 1.139 727 I CA -0.750 60.497 61.300 -0.089 0.000 1.020 727 I CB 0.605 38.546 38.000 -0.099 0.000 1.341 727 I HN 0.192 nan 8.210 nan 0.000 0.490 728 S N 0.103 115.719 115.700 -0.140 0.000 2.640 728 S HA 0.226 4.693 4.470 -0.005 0.000 0.262 728 S C 1.023 175.528 174.600 -0.158 0.000 1.232 728 S CA -0.048 58.072 58.200 -0.135 0.000 0.988 728 S CB 0.828 63.964 63.200 -0.107 0.000 1.034 728 S HN 0.545 nan 8.310 nan 0.000 0.569 729 R N 1.259 121.692 120.500 -0.112 0.000 2.087 729 R HA 0.338 4.675 4.340 -0.005 0.000 0.216 729 R C 1.935 178.203 176.300 -0.054 0.000 1.114 729 R CA 0.821 56.879 56.100 -0.069 0.000 1.002 729 R CB -1.142 29.169 30.300 0.019 0.000 0.903 729 R HN 0.493 nan 8.270 nan 0.000 0.445 730 K N 1.648 122.019 120.400 -0.048 0.000 2.283 730 K HA -0.047 4.270 4.320 -0.005 0.000 0.202 730 K C 1.505 178.047 176.600 -0.096 0.000 1.048 730 K CA 1.439 57.701 56.287 -0.041 0.000 0.948 730 K CB 0.055 32.540 32.500 -0.024 0.000 0.742 730 K HN 0.434 nan 8.250 nan 0.000 0.458 731 E N -0.510 119.587 120.200 -0.172 0.000 2.028 731 E HA -0.074 4.273 4.350 -0.005 0.000 0.190 731 E C 1.973 178.254 176.600 -0.532 0.000 0.984 731 E CA 0.955 57.156 56.400 -0.332 0.000 0.800 731 E CB -0.213 29.277 29.700 -0.351 0.000 0.758 731 E HN 0.380 nan 8.360 nan 0.000 0.448 732 A N 1.570 124.154 122.820 -0.393 0.000 1.972 732 A HA -0.117 4.201 4.320 -0.005 0.000 0.219 732 A C 2.352 179.879 177.584 -0.095 0.000 1.169 732 A CA 1.664 53.532 52.037 -0.281 0.000 0.635 732 A CB -0.537 18.387 19.000 -0.128 0.000 0.810 732 A HN 0.282 nan 8.150 nan 0.000 0.446 733 A N -0.591 122.192 122.820 -0.062 0.000 1.929 733 A HA -0.116 4.201 4.320 -0.005 0.000 0.216 733 A C 1.992 179.609 177.584 0.055 0.000 1.176 733 A CA 1.590 53.644 52.037 0.028 0.000 0.628 733 A CB -0.423 18.601 19.000 0.041 0.000 0.816 733 A HN 0.638 nan 8.150 nan 0.000 0.444 734 E N -0.865 119.342 120.200 0.011 0.000 2.150 734 E HA -0.120 4.227 4.350 -0.005 0.000 0.193 734 E C 1.662 178.391 176.600 0.216 0.000 0.985 734 E CA 0.698 57.149 56.400 0.084 0.000 0.814 734 E CB -0.209 29.520 29.700 0.049 0.000 0.752 734 E HN 0.745 nan 8.360 nan 0.000 0.466 735 F N 0.582 120.544 119.950 0.019 0.000 2.051 735 F HA -0.223 4.301 4.527 -0.005 0.000 0.296 735 F C 2.382 178.148 175.800 -0.057 0.000 1.122 735 F CA 0.549 58.536 58.000 -0.022 0.000 1.201 735 F CB -0.165 38.822 39.000 -0.021 0.000 0.978 735 F HN 0.050 nan 8.300 nan 0.000 0.472 736 I N 0.144 120.798 120.570 0.140 0.000 2.194 736 I HA -0.323 3.844 4.170 -0.005 0.000 0.246 736 I C 2.320 178.390 176.117 -0.078 0.000 1.093 736 I CA 1.399 62.650 61.300 -0.081 0.000 1.355 736 I CB -0.440 37.534 38.000 -0.044 0.000 1.046 736 I HN 0.129 nan 8.210 nan 0.000 0.413 737 E N 0.938 121.206 120.200 0.113 0.000 2.077 737 E HA -0.194 4.153 4.350 -0.005 0.000 0.193 737 E C 2.265 178.960 176.600 0.159 0.000 0.989 737 E CA 1.262 57.784 56.400 0.202 0.000 0.800 737 E CB -0.001 29.803 29.700 0.174 0.000 0.746 737 E HN 0.164 nan 8.360 nan 0.000 0.452 738 R N -0.622 119.943 120.500 0.109 0.000 2.096 738 R HA -0.143 4.194 4.340 -0.005 0.000 0.235 738 R C 2.284 178.597 176.300 0.020 0.000 1.127 738 R CA 1.293 57.423 56.100 0.050 0.000 0.968 738 R CB -1.107 29.201 30.300 0.013 0.000 0.861 738 R HN 0.392 nan 8.270 nan 0.000 0.440 739 Y N 0.517 120.754 120.300 -0.105 0.000 2.145 739 Y HA -0.227 4.320 4.550 -0.005 0.000 0.286 739 Y C 1.887 177.833 175.900 0.076 0.000 1.145 739 Y CA 1.531 59.589 58.100 -0.069 0.000 1.148 739 Y CB -0.339 37.971 38.460 -0.250 0.000 0.981 739 Y HN -0.143 nan 8.280 nan 0.000 0.507 740 F N 0.957 121.087 119.950 0.300 0.000 2.269 740 F HA -0.143 4.382 4.527 -0.005 0.000 0.301 740 F C 2.236 178.061 175.800 0.041 0.000 1.082 740 F CA 1.503 59.623 58.000 0.201 0.000 1.360 740 F CB -0.820 38.303 39.000 0.205 0.000 1.041 740 F HN 0.201 nan 8.300 nan 0.000 0.512 741 E N -0.590 119.708 120.200 0.163 0.000 2.106 741 E HA -0.124 4.224 4.350 -0.005 0.000 0.192 741 E C 2.254 178.788 176.600 -0.110 0.000 0.984 741 E CA 1.373 57.794 56.400 0.035 0.000 0.806 741 E CB -0.205 29.504 29.700 0.016 0.000 0.750 741 E HN 0.233 nan 8.360 nan 0.000 0.458 742 S N 0.073 115.619 115.700 -0.257 0.000 2.414 742 S HA 0.010 4.477 4.470 -0.005 0.000 0.227 742 S C 0.449 174.519 174.600 -0.883 0.000 1.022 742 S CA 0.662 58.497 58.200 -0.609 0.000 0.958 742 S CB 0.120 62.833 63.200 -0.812 0.000 0.797 742 S HN 0.129 nan 8.310 nan 0.000 0.493 743 F N 1.499 121.295 119.950 -0.257 0.000 2.523 743 F HA 0.342 4.867 4.527 -0.005 0.000 0.322 743 F C -1.865 173.951 175.800 0.026 0.000 1.361 743 F CA -2.107 55.785 58.000 -0.181 0.000 1.151 743 F CB 1.189 39.951 39.000 -0.396 0.000 1.391 743 F HN -0.014 nan 8.300 nan 0.000 0.566 744 P HA -0.158 nan 4.420 nan 0.000 0.219 744 P C 1.718 179.099 177.300 0.135 0.000 1.146 744 P CA 1.508 64.682 63.100 0.123 0.000 0.808 744 P CB 0.303 32.033 31.700 0.049 0.000 0.779 745 G N 0.255 109.144 108.800 0.148 0.000 2.408 745 G HA2 -0.173 3.784 3.960 -0.005 0.000 0.217 745 G HA3 -0.173 3.784 3.960 -0.005 0.000 0.217 745 G C 1.712 176.735 174.900 0.204 0.000 1.150 745 G CA 0.535 45.720 45.100 0.142 0.000 0.776 745 G HN 0.188 nan 8.290 nan 0.000 0.542 746 V N 0.690 120.777 119.914 0.288 0.000 2.358 746 V HA -0.109 4.008 4.120 -0.005 0.000 0.246 746 V C 2.650 178.963 176.094 0.366 0.000 1.047 746 V CA 2.115 64.648 62.300 0.387 0.000 1.035 746 V CB -0.312 31.815 31.823 0.506 0.000 0.658 746 V HN 0.421 nan 8.190 nan 0.000 0.452 747 K N 0.345 120.902 120.400 0.262 0.000 2.057 747 K HA -0.244 4.073 4.320 -0.005 0.000 0.207 747 K C 2.391 178.912 176.600 -0.131 0.000 1.049 747 K CA 1.835 57.993 56.287 -0.215 0.000 0.931 747 K CB -0.157 32.135 32.500 -0.347 0.000 0.714 747 K HN 0.299 nan 8.250 nan 0.000 0.440 748 R N -0.444 120.056 120.500 -0.001 0.000 2.081 748 R HA -0.209 4.128 4.340 -0.005 0.000 0.235 748 R C 2.386 178.701 176.300 0.026 0.000 1.131 748 R CA 1.776 57.877 56.100 0.002 0.000 0.960 748 R CB -0.493 29.830 30.300 0.038 0.000 0.856 748 R HN 0.352 nan 8.270 nan 0.000 0.436 749 Y N 0.597 120.901 120.300 0.007 0.000 2.145 749 Y HA -0.232 4.315 4.550 -0.005 0.000 0.286 749 Y C 1.979 177.885 175.900 0.009 0.000 1.145 749 Y CA 1.748 59.858 58.100 0.017 0.000 1.148 749 Y CB -0.159 38.330 38.460 0.048 0.000 0.981 749 Y HN 0.018 nan 8.280 nan 0.000 0.507 750 M N 0.529 119.990 119.600 -0.230 0.000 2.159 750 M HA -0.194 4.283 4.480 -0.005 0.000 0.263 750 M C 1.964 178.103 176.300 -0.268 0.000 1.063 750 M CA 1.721 56.840 55.300 -0.301 0.000 1.110 750 M CB -1.141 31.430 32.600 -0.048 0.000 1.374 750 M HN 0.444 nan 8.290 nan 0.000 0.411 751 E N -0.017 120.060 120.200 -0.205 0.000 2.046 751 E HA -0.138 4.209 4.350 -0.005 0.000 0.190 751 E C 1.854 178.361 176.600 -0.154 0.000 0.982 751 E CA 0.831 57.136 56.400 -0.158 0.000 0.800 751 E CB -0.089 29.533 29.700 -0.131 0.000 0.756 751 E HN 0.487 nan 8.360 nan 0.000 0.449 752 N N 0.990 119.597 118.700 -0.156 0.000 2.188 752 N HA -0.136 4.601 4.740 -0.005 0.000 0.184 752 N C 1.831 177.239 175.510 -0.171 0.000 1.018 752 N CA 0.674 53.648 53.050 -0.128 0.000 0.858 752 N CB -0.170 38.275 38.487 -0.070 0.000 0.989 752 N HN 0.106 nan 8.380 nan 0.000 0.426 753 I N 0.680 121.067 120.570 -0.306 0.000 2.394 753 I HA -0.129 4.038 4.170 -0.005 0.000 0.251 753 I C 1.838 177.832 176.117 -0.206 0.000 1.136 753 I CA 0.712 61.831 61.300 -0.301 0.000 1.425 753 I CB -0.099 37.553 38.000 -0.580 0.000 1.079 753 I HN -0.162 nan 8.210 nan 0.000 0.425 754 V N 0.226 120.023 119.914 -0.194 0.000 2.453 754 V HA -0.217 3.900 4.120 -0.005 0.000 0.247 754 V C 2.482 178.513 176.094 -0.105 0.000 1.048 754 V CA 1.417 63.639 62.300 -0.129 0.000 1.049 754 V CB -0.685 31.073 31.823 -0.108 0.000 0.672 754 V HN 0.413 nan 8.190 nan 0.000 0.457 755 Q N -0.219 119.519 119.800 -0.105 0.000 2.119 755 Q HA -0.188 4.149 4.340 -0.005 0.000 0.201 755 Q C 2.222 178.166 176.000 -0.092 0.000 0.972 755 Q CA 1.532 57.285 55.803 -0.083 0.000 0.847 755 Q CB -0.274 28.421 28.738 -0.072 0.000 0.903 755 Q HN 0.761 nan 8.270 nan 0.000 0.433 756 E N 0.167 120.301 120.200 -0.110 0.000 2.110 756 E HA -0.138 4.209 4.350 -0.005 0.000 0.193 756 E C 1.780 178.278 176.600 -0.169 0.000 0.988 756 E CA 0.908 57.229 56.400 -0.131 0.000 0.804 756 E CB 0.080 29.704 29.700 -0.126 0.000 0.745 756 E HN 0.277 nan 8.360 nan 0.000 0.458 757 A N 1.494 124.224 122.820 -0.150 0.000 1.933 757 A HA -0.214 4.104 4.320 -0.005 0.000 0.218 757 A C 2.100 179.619 177.584 -0.109 0.000 1.175 757 A CA 1.723 53.672 52.037 -0.145 0.000 0.628 757 A CB -0.436 18.505 19.000 -0.100 0.000 0.814 757 A HN 0.198 nan 8.150 nan 0.000 0.444 758 K N -0.813 119.536 120.400 -0.084 0.000 2.057 758 K HA -0.169 4.148 4.320 -0.005 0.000 0.206 758 K C 2.334 178.902 176.600 -0.055 0.000 1.050 758 K CA 1.379 57.634 56.287 -0.054 0.000 0.935 758 K CB -0.165 32.307 32.500 -0.046 0.000 0.715 758 K HN 0.536 nan 8.250 nan 0.000 0.439 759 Q N 1.136 120.890 119.800 -0.077 0.000 2.016 759 Q HA -0.151 4.186 4.340 -0.005 0.000 0.200 759 Q C 1.534 177.484 176.000 -0.084 0.000 0.978 759 Q CA 1.684 57.445 55.803 -0.070 0.000 0.833 759 Q CB 0.126 28.819 28.738 -0.075 0.000 0.895 759 Q HN 0.282 nan 8.270 nan 0.000 0.427 760 K N -1.387 118.908 120.400 -0.174 0.000 2.243 760 K HA 0.055 4.372 4.320 -0.005 0.000 0.201 760 K C 1.173 177.689 176.600 -0.139 0.000 1.051 760 K CA 0.703 56.833 56.287 -0.261 0.000 0.970 760 K CB 0.303 32.404 32.500 -0.666 0.000 0.755 760 K HN 0.475 nan 8.250 nan 0.000 0.465 761 G N 0.925 109.665 108.800 -0.101 0.000 2.176 761 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.232 761 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.232 761 G C -0.169 174.849 174.900 0.196 0.000 0.986 761 G CA 0.488 45.655 45.100 0.111 0.000 0.643 761 G HN 0.396 nan 8.290 nan 0.000 0.522 762 Y N -2.111 118.162 120.300 -0.044 0.000 2.713 762 Y HA 0.731 5.279 4.550 -0.004 0.000 0.335 762 Y C -0.368 175.450 175.900 -0.138 0.000 1.222 762 Y CA -1.247 56.746 58.100 -0.179 0.000 1.061 762 Y CB 0.860 39.004 38.460 -0.528 0.000 1.314 762 Y HN 1.001 nan 8.280 nan 0.000 0.453 763 V N -0.810 119.116 119.914 0.020 0.000 2.960 763 V HA 1.004 5.121 4.120 -0.005 0.000 0.315 763 V C -0.445 175.715 176.094 0.110 0.000 1.087 763 V CA -0.234 62.067 62.300 0.001 0.000 0.982 763 V CB 1.326 33.144 31.823 -0.008 0.000 1.039 763 V HN 1.371 nan 8.190 nan 0.000 0.437 764 T N -0.784 113.830 114.554 0.099 0.000 2.916 764 T HA 0.809 5.156 4.350 -0.005 0.000 0.292 764 T C -0.003 174.733 174.700 0.061 0.000 1.064 764 T CA -0.007 62.154 62.100 0.100 0.000 1.011 764 T CB 1.694 70.664 68.868 0.169 0.000 1.152 764 T HN 1.450 nan 8.240 nan 0.000 0.510 765 T N -0.550 114.019 114.554 0.025 0.000 2.910 765 T HA 0.480 4.828 4.350 -0.005 0.000 0.279 765 T C 1.269 175.931 174.700 -0.063 0.000 0.989 765 T CA -0.818 61.276 62.100 -0.010 0.000 0.968 765 T CB 0.899 69.749 68.868 -0.029 0.000 1.135 765 T HN 0.508 nan 8.240 nan 0.000 0.562 766 L N 0.158 121.329 121.223 -0.087 0.000 2.043 766 L HA 0.075 4.412 4.340 -0.005 0.000 0.212 766 L C 1.800 178.483 176.870 -0.311 0.000 1.075 766 L CA 1.780 56.532 54.840 -0.146 0.000 0.752 766 L CB -0.799 41.183 42.059 -0.128 0.000 0.891 766 L HN 0.694 nan 8.230 nan 0.000 0.432 767 L N -0.609 120.459 121.223 -0.258 0.000 2.728 767 L HA 0.130 4.467 4.340 -0.005 0.000 0.235 767 L C 0.147 176.861 176.870 -0.259 0.000 1.197 767 L CA -0.135 54.522 54.840 -0.304 0.000 0.992 767 L CB -0.620 41.365 42.059 -0.122 0.000 1.263 767 L HN 0.436 nan 8.230 nan 0.000 0.484 768 H N -1.366 117.704 119.070 -0.001 0.000 3.049 768 H HA -0.156 4.397 4.556 -0.005 0.000 0.250 768 H C 0.900 176.208 175.328 -0.034 0.000 1.219 768 H CA 0.419 56.463 56.048 -0.006 0.000 1.117 768 H CB -1.208 28.551 29.762 -0.005 0.000 1.251 768 H HN 0.447 nan 8.280 nan 0.000 0.338 769 R N 1.637 122.150 120.500 0.022 0.000 2.641 769 R HA 0.361 4.698 4.340 -0.005 0.000 0.269 769 R C 0.714 176.983 176.300 -0.051 0.000 1.074 769 R CA -0.117 55.964 56.100 -0.031 0.000 1.133 769 R CB 0.780 31.052 30.300 -0.046 0.000 1.029 769 R HN 0.470 nan 8.270 nan 0.000 0.488 770 R N 1.925 122.348 120.500 -0.128 0.000 2.808 770 R HA 0.499 4.836 4.340 -0.005 0.000 0.272 770 R C -1.329 174.839 176.300 -0.221 0.000 0.995 770 R CA -1.110 54.883 56.100 -0.179 0.000 0.917 770 R CB 1.671 31.751 30.300 -0.368 0.000 1.217 770 R HN 0.550 nan 8.270 nan 0.000 0.471 771 R N 2.312 122.691 120.500 -0.202 0.000 2.510 771 R HA 0.262 4.599 4.340 -0.005 0.000 0.294 771 R C -1.499 174.713 176.300 -0.148 0.000 1.056 771 R CA -0.645 55.369 56.100 -0.144 0.000 0.918 771 R CB 1.202 31.463 30.300 -0.065 0.000 1.187 771 R HN 0.693 nan 8.270 nan 0.000 0.437 772 Y N 4.066 124.386 120.300 0.033 0.000 2.346 772 Y HA 0.212 4.759 4.550 -0.004 0.000 0.330 772 Y C 0.525 176.439 175.900 0.023 0.000 1.178 772 Y CA -0.098 58.043 58.100 0.068 0.000 1.331 772 Y CB 1.010 39.489 38.460 0.032 0.000 1.253 772 Y HN 0.398 nan 8.280 nan 0.000 0.529 773 L N 6.234 127.553 121.223 0.159 0.000 2.637 773 L HA 0.235 4.572 4.340 -0.005 0.000 0.241 773 L C -1.695 175.208 176.870 0.055 0.000 1.398 773 L CA -1.359 53.515 54.840 0.057 0.000 0.895 773 L CB 0.970 43.030 42.059 0.002 0.000 1.183 773 L HN 0.521 nan 8.230 nan 0.000 0.497 774 P HA -0.175 nan 4.420 nan 0.000 0.218 774 P C 0.493 177.803 177.300 0.017 0.000 1.148 774 P CA 1.188 64.315 63.100 0.044 0.000 0.822 774 P CB 0.426 32.146 31.700 0.034 0.000 0.784 775 D N -0.492 119.908 120.400 0.000 0.000 2.378 775 D HA -0.068 4.570 4.640 -0.005 0.000 0.222 775 D C 1.737 178.030 176.300 -0.013 0.000 0.980 775 D CA 0.256 54.251 54.000 -0.007 0.000 0.907 775 D CB -0.771 40.017 40.800 -0.020 0.000 0.899 775 D HN 0.155 nan 8.370 nan 0.000 0.527 776 I N 0.784 121.345 120.570 -0.014 0.000 2.530 776 I HA -0.195 3.972 4.170 -0.005 0.000 0.257 776 I C 1.622 177.729 176.117 -0.018 0.000 1.179 776 I CA 1.247 62.533 61.300 -0.023 0.000 1.440 776 I CB -0.117 37.867 38.000 -0.025 0.000 1.087 776 I HN -0.022 nan 8.210 nan 0.000 0.440 777 T N -3.340 111.210 114.554 -0.005 0.000 3.174 777 T HA 0.234 4.581 4.350 -0.005 0.000 0.269 777 T C 0.767 175.471 174.700 0.007 0.000 1.017 777 T CA -0.020 62.080 62.100 0.000 0.000 0.899 777 T CB -0.491 68.380 68.868 0.004 0.000 1.077 777 T HN 0.189 nan 8.240 nan 0.000 0.552 778 S N 0.880 116.584 115.700 0.006 0.000 2.564 778 S HA 0.297 4.764 4.470 -0.005 0.000 0.278 778 S C 1.025 175.641 174.600 0.026 0.000 1.333 778 S CA -0.625 57.585 58.200 0.016 0.000 1.048 778 S CB 0.647 63.857 63.200 0.017 0.000 0.900 778 S HN 0.358 nan 8.310 nan 0.000 0.505 779 R N 2.548 123.070 120.500 0.035 0.000 2.310 779 R HA 0.227 4.564 4.340 -0.005 0.000 0.202 779 R C 0.377 176.721 176.300 0.073 0.000 0.933 779 R CA 0.042 56.172 56.100 0.050 0.000 1.054 779 R CB -0.258 30.067 30.300 0.041 0.000 0.985 779 R HN 0.544 nan 8.270 nan 0.000 0.489 780 N N 0.537 119.278 118.700 0.069 0.000 2.420 780 N HA -0.059 4.679 4.740 -0.005 0.000 0.249 780 N C 0.424 176.007 175.510 0.122 0.000 1.033 780 N CA -0.091 53.016 53.050 0.095 0.000 0.944 780 N CB 0.434 38.964 38.487 0.072 0.000 1.113 780 N HN 0.003 nan 8.380 nan 0.000 0.502 781 F N 5.611 125.573 119.950 0.019 0.000 2.087 781 F HA -0.259 4.265 4.527 -0.005 0.000 0.299 781 F C 1.646 177.464 175.800 0.030 0.000 1.100 781 F CA 1.718 59.730 58.000 0.021 0.000 1.226 781 F CB 0.025 39.031 39.000 0.010 0.000 0.983 781 F HN 0.530 nan 8.300 nan 0.000 0.479 782 N N 0.394 119.194 118.700 0.167 0.000 2.106 782 N HA -0.150 4.587 4.740 -0.005 0.000 0.188 782 N C 2.057 177.570 175.510 0.005 0.000 1.029 782 N CA 1.792 54.874 53.050 0.053 0.000 0.848 782 N CB -0.745 37.812 38.487 0.117 0.000 1.007 782 N HN 0.274 nan 8.380 nan 0.000 0.423 783 V N 1.601 121.543 119.914 0.047 0.000 2.343 783 V HA -0.175 3.942 4.120 -0.005 0.000 0.247 783 V C 2.567 178.682 176.094 0.034 0.000 1.051 783 V CA 1.430 63.775 62.300 0.075 0.000 1.036 783 V CB -0.463 31.397 31.823 0.061 0.000 0.654 783 V HN 0.284 nan 8.190 nan 0.000 0.451 784 R N -0.050 120.427 120.500 -0.039 0.000 2.092 784 R HA -0.134 4.203 4.340 -0.005 0.000 0.231 784 R C 2.481 178.711 176.300 -0.116 0.000 1.119 784 R CA 1.724 57.778 56.100 -0.076 0.000 0.970 784 R CB -0.254 29.988 30.300 -0.095 0.000 0.864 784 R HN 0.485 nan 8.270 nan 0.000 0.440 785 S N 0.303 115.860 115.700 -0.239 0.000 2.382 785 S HA -0.141 4.326 4.470 -0.005 0.000 0.228 785 S C 1.436 176.048 174.600 0.020 0.000 1.027 785 S CA 1.204 59.265 58.200 -0.231 0.000 0.991 785 S CB -0.330 62.601 63.200 -0.447 0.000 0.823 785 S HN 0.403 nan 8.310 nan 0.000 0.469 786 F N 1.895 121.778 119.950 -0.112 0.000 2.134 786 F HA -0.177 4.348 4.527 -0.004 0.000 0.299 786 F C 2.470 178.245 175.800 -0.041 0.000 1.097 786 F CA 0.658 58.626 58.000 -0.054 0.000 1.264 786 F CB -0.220 38.759 39.000 -0.035 0.000 1.001 786 F HN 0.265 nan 8.300 nan 0.000 0.479 787 A N 0.345 123.195 122.820 0.050 0.000 1.933 787 A HA -0.225 4.092 4.320 -0.005 0.000 0.218 787 A C 1.902 179.473 177.584 -0.023 0.000 1.175 787 A CA 1.832 53.832 52.037 -0.061 0.000 0.628 787 A CB -0.777 18.191 19.000 -0.054 0.000 0.814 787 A HN 0.529 nan 8.150 nan 0.000 0.444 788 E N -0.528 119.668 120.200 -0.005 0.000 2.110 788 E HA -0.167 4.180 4.350 -0.005 0.000 0.193 788 E C 2.300 178.916 176.600 0.027 0.000 0.988 788 E CA 0.955 57.347 56.400 -0.013 0.000 0.804 788 E CB -0.160 29.518 29.700 -0.037 0.000 0.745 788 E HN 0.529 nan 8.360 nan 0.000 0.458 789 R N 0.114 120.667 120.500 0.089 0.000 2.092 789 R HA -0.031 4.306 4.340 -0.005 0.000 0.231 789 R C 2.325 178.695 176.300 0.117 0.000 1.119 789 R CA 1.108 57.289 56.100 0.135 0.000 0.970 789 R CB -0.162 30.264 30.300 0.210 0.000 0.864 789 R HN 0.221 nan 8.270 nan 0.000 0.440 790 M N -0.042 119.602 119.600 0.072 0.000 2.175 790 M HA -0.082 4.395 4.480 -0.005 0.000 0.264 790 M C 2.498 178.807 176.300 0.015 0.000 1.063 790 M CA 1.557 56.865 55.300 0.012 0.000 1.119 790 M CB -0.250 32.289 32.600 -0.101 0.000 1.377 790 M HN 0.199 nan 8.290 nan 0.000 0.415 791 A N 0.357 123.176 122.820 -0.003 0.000 1.933 791 A HA -0.157 4.161 4.320 -0.005 0.000 0.218 791 A C 2.107 179.691 177.584 0.000 0.000 1.175 791 A CA 1.599 53.624 52.037 -0.020 0.000 0.628 791 A CB -0.552 18.413 19.000 -0.057 0.000 0.814 791 A HN 0.470 nan 8.150 nan 0.000 0.444 792 M N -0.891 118.722 119.600 0.022 0.000 2.193 792 M HA -0.071 4.406 4.480 -0.005 0.000 0.265 792 M C 2.194 178.621 176.300 0.211 0.000 1.071 792 M CA 1.483 56.830 55.300 0.077 0.000 1.140 792 M CB -0.348 32.306 32.600 0.090 0.000 1.369 792 M HN 0.611 nan 8.290 nan 0.000 0.423 793 N N -0.260 118.537 118.700 0.163 0.000 2.251 793 N HA -0.091 4.646 4.740 -0.005 0.000 0.181 793 N C 1.387 176.968 175.510 0.120 0.000 1.019 793 N CA 1.420 54.571 53.050 0.167 0.000 0.862 793 N CB 0.100 38.687 38.487 0.166 0.000 0.992 793 N HN 0.178 nan 8.380 nan 0.000 0.429 794 T N 1.784 116.387 114.554 0.082 0.000 2.699 794 T HA -0.065 4.282 4.350 -0.005 0.000 0.268 794 T C -1.003 173.732 174.700 0.058 0.000 1.036 794 T CA 1.336 63.466 62.100 0.051 0.000 1.147 794 T CB -1.012 67.868 68.868 0.021 0.000 0.862 794 T HN 0.385 nan 8.240 nan 0.000 0.446 795 P HA 0.057 nan 4.420 nan 0.000 0.218 795 P C 1.285 178.615 177.300 0.051 0.000 1.149 795 P CA 0.813 63.967 63.100 0.089 0.000 0.817 795 P CB -0.115 31.690 31.700 0.175 0.000 0.785 796 I N -0.994 119.616 120.570 0.067 0.000 2.188 796 I HA -0.209 3.958 4.170 -0.005 0.000 0.237 796 I C 2.684 178.805 176.117 0.006 0.000 1.073 796 I CA 1.318 62.631 61.300 0.022 0.000 1.359 796 I CB -0.723 37.309 38.000 0.053 0.000 1.083 796 I HN -0.073 nan 8.210 nan 0.000 0.412 797 Q N 1.084 120.903 119.800 0.031 0.000 2.084 797 Q HA -0.168 4.169 4.340 -0.005 0.000 0.202 797 Q C 2.179 178.179 176.000 -0.000 0.000 0.978 797 Q CA 1.934 57.745 55.803 0.014 0.000 0.844 797 Q CB -0.249 28.501 28.738 0.020 0.000 0.898 797 Q HN 0.572 nan 8.270 nan 0.000 0.426 798 G N -0.352 108.451 108.800 0.005 0.000 2.402 798 G HA2 -0.217 3.741 3.960 -0.005 0.000 0.216 798 G HA3 -0.217 3.741 3.960 -0.005 0.000 0.216 798 G C 1.478 176.365 174.900 -0.022 0.000 1.162 798 G CA 0.863 45.962 45.100 -0.001 0.000 0.777 798 G HN 0.347 nan 8.290 nan 0.000 0.539 799 S N 1.004 116.682 115.700 -0.036 0.000 2.383 799 S HA 0.034 4.501 4.470 -0.005 0.000 0.227 799 S C 2.737 177.276 174.600 -0.100 0.000 1.026 799 S CA 1.056 59.214 58.200 -0.070 0.000 0.981 799 S CB -0.282 62.873 63.200 -0.074 0.000 0.818 799 S HN 0.567 nan 8.310 nan 0.000 0.472 800 A N 1.392 124.153 122.820 -0.097 0.000 1.969 800 A HA 0.161 4.479 4.320 -0.005 0.000 0.218 800 A C 2.286 179.816 177.584 -0.090 0.000 1.169 800 A CA 1.547 53.501 52.037 -0.137 0.000 0.635 800 A CB -0.841 18.093 19.000 -0.110 0.000 0.810 800 A HN 0.501 nan 8.150 nan 0.000 0.445 801 A N 0.135 122.935 122.820 -0.033 0.000 1.898 801 A HA -0.127 4.190 4.320 -0.005 0.000 0.216 801 A C 1.771 179.351 177.584 -0.006 0.000 1.181 801 A CA 1.723 53.766 52.037 0.010 0.000 0.620 801 A CB -0.529 18.494 19.000 0.038 0.000 0.819 801 A HN 0.425 nan 8.150 nan 0.000 0.442 802 D N 0.324 120.706 120.400 -0.030 0.000 2.104 802 D HA -0.157 4.480 4.640 -0.005 0.000 0.194 802 D C 1.861 178.131 176.300 -0.050 0.000 0.994 802 D CA 1.386 55.363 54.000 -0.038 0.000 0.830 802 D CB -0.414 40.348 40.800 -0.063 0.000 0.959 802 D HN 0.527 nan 8.370 nan 0.000 0.452 803 I N 0.643 121.158 120.570 -0.091 0.000 2.127 803 I HA -0.230 3.937 4.170 -0.005 0.000 0.241 803 I C 2.578 178.678 176.117 -0.030 0.000 1.075 803 I CA 0.791 62.025 61.300 -0.111 0.000 1.334 803 I CB -0.168 37.684 38.000 -0.246 0.000 1.040 803 I HN -0.030 nan 8.210 nan 0.000 0.405 804 I N 0.701 121.270 120.570 -0.001 0.000 2.493 804 I HA -0.267 3.900 4.170 -0.005 0.000 0.254 804 I C 2.431 178.587 176.117 0.064 0.000 1.160 804 I CA 1.439 62.818 61.300 0.133 0.000 1.445 804 I CB -0.100 38.011 38.000 0.186 0.000 1.086 804 I HN 0.149 nan 8.210 nan 0.000 0.433 805 K N 0.539 120.952 120.400 0.023 0.000 2.057 805 K HA -0.238 4.079 4.320 -0.005 0.000 0.206 805 K C 2.156 178.756 176.600 0.001 0.000 1.050 805 K CA 1.429 57.717 56.287 0.002 0.000 0.935 805 K CB -0.121 32.380 32.500 0.002 0.000 0.715 805 K HN 0.236 nan 8.250 nan 0.000 0.439 806 K N 0.824 121.226 120.400 0.002 0.000 2.097 806 K HA -0.083 4.234 4.320 -0.005 0.000 0.205 806 K C 2.057 178.663 176.600 0.010 0.000 1.050 806 K CA 1.036 57.322 56.287 -0.001 0.000 0.938 806 K CB -0.034 32.459 32.500 -0.011 0.000 0.718 806 K HN 0.105 nan 8.250 nan 0.000 0.442 807 A N 1.224 124.067 122.820 0.038 0.000 1.902 807 A HA -0.186 4.131 4.320 -0.005 0.000 0.217 807 A C 2.108 179.701 177.584 0.014 0.000 1.181 807 A CA 1.761 53.828 52.037 0.050 0.000 0.623 807 A CB -0.482 18.594 19.000 0.127 0.000 0.818 807 A HN 0.346 nan 8.150 nan 0.000 0.443 808 M N -0.767 118.838 119.600 0.007 0.000 2.117 808 M HA -0.102 4.375 4.480 -0.005 0.000 0.262 808 M C 2.088 178.375 176.300 -0.021 0.000 1.065 808 M CA 1.556 56.847 55.300 -0.017 0.000 1.114 808 M CB -0.518 32.061 32.600 -0.035 0.000 1.361 808 M HN 0.400 nan 8.290 nan 0.000 0.408 809 I N 0.134 120.694 120.570 -0.018 0.000 2.179 809 I HA -0.297 3.870 4.170 -0.005 0.000 0.242 809 I C 1.869 177.974 176.117 -0.020 0.000 1.088 809 I CA 1.174 62.462 61.300 -0.020 0.000 1.357 809 I CB -0.605 37.385 38.000 -0.017 0.000 1.051 809 I HN 0.248 nan 8.210 nan 0.000 0.409 810 D N 0.737 121.127 120.400 -0.017 0.000 2.117 810 D HA -0.178 4.459 4.640 -0.005 0.000 0.197 810 D C 1.999 178.281 176.300 -0.030 0.000 0.987 810 D CA 1.110 55.098 54.000 -0.020 0.000 0.829 810 D CB -0.339 40.452 40.800 -0.014 0.000 0.961 810 D HN 0.172 nan 8.370 nan 0.000 0.460 811 L N 1.151 122.356 121.223 -0.031 0.000 2.017 811 L HA -0.143 4.194 4.340 -0.005 0.000 0.208 811 L C 1.550 178.392 176.870 -0.047 0.000 1.073 811 L CA 1.737 56.549 54.840 -0.046 0.000 0.745 811 L CB -0.736 41.296 42.059 -0.045 0.000 0.894 811 L HN -0.135 nan 8.230 nan 0.000 0.432 812 N N -0.084 118.596 118.700 -0.034 0.000 2.223 812 N HA -0.098 4.639 4.740 -0.005 0.000 0.185 812 N C 1.798 177.289 175.510 -0.032 0.000 1.016 812 N CA 1.394 54.426 53.050 -0.029 0.000 0.863 812 N CB -0.412 38.063 38.487 -0.020 0.000 0.983 812 N HN 0.548 nan 8.380 nan 0.000 0.429 813 A N 0.884 123.685 122.820 -0.033 0.000 1.930 813 A HA -0.081 4.236 4.320 -0.005 0.000 0.217 813 A C 2.169 179.729 177.584 -0.040 0.000 1.175 813 A CA 1.022 53.040 52.037 -0.033 0.000 0.627 813 A CB -0.204 18.779 19.000 -0.029 0.000 0.815 813 A HN 0.133 nan 8.150 nan 0.000 0.443 814 R N -0.492 119.979 120.500 -0.048 0.000 2.075 814 R HA 0.002 4.339 4.340 -0.005 0.000 0.232 814 R C 2.080 178.338 176.300 -0.070 0.000 1.126 814 R CA 1.158 57.223 56.100 -0.059 0.000 0.963 814 R CB -0.718 29.540 30.300 -0.069 0.000 0.858 814 R HN 0.553 nan 8.270 nan 0.000 0.435 815 L N 0.769 121.949 121.223 -0.072 0.000 2.046 815 L HA -0.187 4.150 4.340 -0.005 0.000 0.208 815 L C 2.715 179.549 176.870 -0.060 0.000 1.077 815 L CA 1.438 56.230 54.840 -0.079 0.000 0.747 815 L CB -0.423 41.594 42.059 -0.070 0.000 0.896 815 L HN 0.173 nan 8.230 nan 0.000 0.432 816 K N 0.510 120.884 120.400 -0.044 0.000 2.025 816 K HA -0.183 4.134 4.320 -0.005 0.000 0.207 816 K C 1.932 178.508 176.600 -0.039 0.000 1.049 816 K CA 1.410 57.676 56.287 -0.034 0.000 0.933 816 K CB 0.030 32.513 32.500 -0.027 0.000 0.714 816 K HN 0.309 nan 8.250 nan 0.000 0.438 817 E N 0.314 120.488 120.200 -0.042 0.000 2.118 817 E HA -0.187 4.160 4.350 -0.005 0.000 0.195 817 E C 1.632 178.203 176.600 -0.048 0.000 0.992 817 E CA 1.046 57.421 56.400 -0.042 0.000 0.804 817 E CB 0.049 29.724 29.700 -0.042 0.000 0.741 817 E HN 0.331 nan 8.360 nan 0.000 0.458 818 E N 0.328 120.492 120.200 -0.060 0.000 2.478 818 E HA 0.008 4.356 4.350 -0.005 0.000 0.194 818 E C 0.037 176.596 176.600 -0.070 0.000 1.045 818 E CA 0.060 56.417 56.400 -0.070 0.000 0.868 818 E CB 0.170 29.815 29.700 -0.091 0.000 0.885 818 E HN 0.074 nan 8.360 nan 0.000 0.505 819 R N 0.065 120.530 120.500 -0.059 0.000 3.416 819 R HA -0.171 4.166 4.340 -0.005 0.000 0.263 819 R C -0.360 175.899 176.300 -0.068 0.000 1.053 819 R CA 0.259 56.329 56.100 -0.050 0.000 0.705 819 R CB -2.465 27.811 30.300 -0.040 0.000 1.124 819 R HN 0.146 nan 8.270 nan 0.000 0.444 820 L N 0.097 121.266 121.223 -0.091 0.000 2.418 820 L HA 0.114 4.451 4.340 -0.005 0.000 0.265 820 L C 1.744 178.545 176.870 -0.115 0.000 1.143 820 L CA -0.170 54.589 54.840 -0.135 0.000 0.809 820 L CB 0.844 42.795 42.059 -0.180 0.000 1.124 820 L HN 0.285 nan 8.230 nan 0.000 0.456 821 Q N 1.549 121.250 119.800 -0.165 0.000 2.424 821 Q HA 0.140 4.477 4.340 -0.005 0.000 0.204 821 Q C 0.567 176.456 176.000 -0.185 0.000 0.933 821 Q CA -0.045 55.698 55.803 -0.100 0.000 0.929 821 Q CB 0.286 28.967 28.738 -0.094 0.000 1.037 821 Q HN 0.766 nan 8.270 nan 0.000 0.511 822 A N 2.438 125.056 122.820 -0.337 0.000 2.555 822 A HA 0.057 4.374 4.320 -0.005 0.000 0.233 822 A C -0.098 177.392 177.584 -0.157 0.000 1.060 822 A CA 0.341 52.149 52.037 -0.382 0.000 0.759 822 A CB -0.138 18.640 19.000 -0.371 0.000 0.995 822 A HN 0.447 nan 8.150 nan 0.000 0.506 823 H N -0.260 118.800 119.070 -0.018 0.000 3.046 823 H HA 0.515 5.069 4.556 -0.005 0.000 0.361 823 H C -1.468 173.871 175.328 0.018 0.000 1.235 823 H CA -1.198 54.858 56.048 0.014 0.000 1.146 823 H CB 0.595 30.398 29.762 0.068 0.000 1.859 823 H HN 0.495 nan 8.280 nan 0.000 0.548 824 L N 1.987 123.334 121.223 0.207 0.000 2.456 824 L HA 0.037 4.374 4.340 -0.005 0.000 0.272 824 L C 0.920 177.890 176.870 0.166 0.000 1.189 824 L CA -0.133 54.781 54.840 0.123 0.000 0.846 824 L CB 0.618 42.702 42.059 0.042 0.000 1.111 824 L HN 0.579 nan 8.230 nan 0.000 0.475 825 L N 3.137 124.422 121.223 0.104 0.000 2.586 825 L HA 0.347 4.684 4.340 -0.005 0.000 0.204 825 L C -0.003 176.914 176.870 0.080 0.000 1.053 825 L CA 0.206 55.098 54.840 0.086 0.000 0.856 825 L CB 0.433 42.508 42.059 0.027 0.000 1.192 825 L HN 0.420 nan 8.230 nan 0.000 0.484 826 L N -0.790 120.436 121.223 0.005 0.000 2.409 826 L HA 0.491 4.828 4.340 -0.005 0.000 0.255 826 L C -1.122 175.721 176.870 -0.046 0.000 1.027 826 L CA -0.565 54.311 54.840 0.060 0.000 0.834 826 L CB 2.276 44.308 42.059 -0.044 0.000 1.426 826 L HN -0.095 nan 8.230 nan 0.000 0.411 827 Q N 1.223 120.979 119.800 -0.074 0.000 2.305 827 Q HA 0.481 4.818 4.340 -0.005 0.000 0.271 827 Q C -1.920 174.037 176.000 -0.072 0.000 1.046 827 Q CA -0.413 55.317 55.803 -0.123 0.000 0.798 827 Q CB 2.734 31.313 28.738 -0.266 0.000 1.286 827 Q HN 0.498 nan 8.270 nan 0.000 0.435 828 V N 6.327 126.203 119.914 -0.063 0.000 2.454 828 V HA 0.238 4.355 4.120 -0.005 0.000 0.255 828 V C 0.237 176.243 176.094 -0.146 0.000 1.009 828 V CA -0.322 61.872 62.300 -0.177 0.000 1.149 828 V CB -0.178 31.655 31.823 0.017 0.000 1.418 828 V HN 0.934 nan 8.190 nan 0.000 0.567 829 H N 1.703 120.833 119.070 0.100 0.000 4.988 829 H HA -0.214 4.339 4.556 -0.005 0.000 0.062 829 H C 1.239 176.626 175.328 0.098 0.000 0.573 829 H CA 2.258 58.357 56.048 0.086 0.000 0.989 829 H CB -0.888 28.924 29.762 0.083 0.000 0.461 829 H HN 0.829 nan 8.280 nan 0.000 0.781 830 D N 1.691 122.236 120.400 0.241 0.000 2.582 830 D HA 0.178 4.815 4.640 -0.005 0.000 0.246 830 D C 0.237 176.683 176.300 0.244 0.000 1.334 830 D CA 0.432 54.593 54.000 0.269 0.000 0.805 830 D CB 0.457 41.392 40.800 0.225 0.000 1.087 830 D HN 0.744 nan 8.370 nan 0.000 0.499 831 E N 0.051 120.340 120.200 0.148 0.000 2.383 831 E HA 0.601 4.948 4.350 -0.005 0.000 0.275 831 E C -1.231 175.396 176.600 0.046 0.000 0.918 831 E CA -1.078 55.371 56.400 0.082 0.000 0.764 831 E CB 2.035 31.796 29.700 0.102 0.000 1.252 831 E HN -0.051 nan 8.360 nan 0.000 0.449 832 L N 2.390 123.626 121.223 0.022 0.000 2.362 832 L HA 0.553 4.890 4.340 -0.005 0.000 0.275 832 L C -0.938 175.949 176.870 0.029 0.000 0.998 832 L CA -1.062 53.784 54.840 0.011 0.000 0.820 832 L CB 1.482 43.545 42.059 0.006 0.000 1.270 832 L HN 0.552 nan 8.230 nan 0.000 0.415 833 I N 3.948 124.507 120.570 -0.018 0.000 2.406 833 I HA 0.485 4.652 4.170 -0.005 0.000 0.290 833 I C -0.545 175.564 176.117 -0.015 0.000 0.999 833 I CA -0.077 61.188 61.300 -0.058 0.000 1.124 833 I CB 1.708 39.524 38.000 -0.307 0.000 1.289 833 I HN 0.312 nan 8.210 nan 0.000 0.441 834 L N 5.588 126.852 121.223 0.068 0.000 2.257 834 L HA 0.707 5.044 4.340 -0.005 0.000 0.257 834 L C -0.423 176.485 176.870 0.064 0.000 1.033 834 L CA -0.636 54.243 54.840 0.065 0.000 0.835 834 L CB 1.640 43.718 42.059 0.032 0.000 1.398 834 L HN 0.663 nan 8.230 nan 0.000 0.429 835 E N 0.205 120.409 120.200 0.007 0.000 2.340 835 E HA 0.924 5.271 4.350 -0.005 0.000 0.273 835 E C -1.532 174.972 176.600 -0.159 0.000 0.891 835 E CA -1.097 55.333 56.400 0.049 0.000 0.757 835 E CB 2.592 32.410 29.700 0.197 0.000 1.231 835 E HN 0.729 nan 8.360 nan 0.000 0.439 836 A N 2.280 124.938 122.820 -0.270 0.000 2.586 836 A HA 0.627 4.944 4.320 -0.005 0.000 0.290 836 A C -2.979 173.923 177.584 -1.138 0.000 1.086 836 A CA -1.449 50.029 52.037 -0.931 0.000 0.665 836 A CB 1.218 19.826 19.000 -0.654 0.000 1.279 836 A HN 0.502 nan 8.150 nan 0.000 0.423 837 P HA 0.110 nan 4.420 nan 0.000 0.269 837 P C 0.455 177.455 177.300 -0.500 0.000 1.209 837 P CA 0.036 62.487 63.100 -1.082 0.000 0.776 837 P CB 0.547 31.784 31.700 -0.772 0.000 0.876 838 K N 1.846 122.094 120.400 -0.253 0.000 2.211 838 K HA -0.200 4.117 4.320 -0.005 0.000 0.204 838 K C 0.799 177.285 176.600 -0.190 0.000 1.047 838 K CA 1.713 57.905 56.287 -0.159 0.000 0.935 838 K CB -0.420 32.057 32.500 -0.038 0.000 0.728 838 K HN 0.245 nan 8.250 nan 0.000 0.452 839 E N 1.308 121.393 120.200 -0.192 0.000 2.409 839 E HA -0.082 4.265 4.350 -0.005 0.000 0.198 839 E C 0.939 177.411 176.600 -0.214 0.000 1.024 839 E CA 0.867 57.167 56.400 -0.167 0.000 0.861 839 E CB 0.127 29.746 29.700 -0.135 0.000 0.788 839 E HN 0.507 nan 8.360 nan 0.000 0.521 840 E N -0.585 119.436 120.200 -0.298 0.000 2.481 840 E HA 0.063 4.410 4.350 -0.005 0.000 0.198 840 E C 1.278 177.657 176.600 -0.368 0.000 1.027 840 E CA -0.158 56.045 56.400 -0.327 0.000 0.900 840 E CB 0.185 29.648 29.700 -0.396 0.000 0.993 840 E HN 0.194 nan 8.360 nan 0.000 0.482 841 M N 0.885 120.254 119.600 -0.384 0.000 2.065 841 M HA -0.192 4.285 4.480 -0.005 0.000 0.259 841 M C 1.862 177.954 176.300 -0.346 0.000 1.069 841 M CA 1.695 56.704 55.300 -0.485 0.000 1.110 841 M CB -0.907 31.258 32.600 -0.724 0.000 1.328 841 M HN 0.136 nan 8.290 nan 0.000 0.405 842 E N -0.510 119.555 120.200 -0.224 0.000 2.085 842 E HA -0.194 4.154 4.350 -0.005 0.000 0.194 842 E C 2.241 178.742 176.600 -0.164 0.000 0.994 842 E CA 0.937 57.260 56.400 -0.128 0.000 0.801 842 E CB -0.170 29.484 29.700 -0.077 0.000 0.743 842 E HN 0.479 nan 8.360 nan 0.000 0.453 843 R N 0.168 120.543 120.500 -0.208 0.000 2.092 843 R HA -0.102 4.235 4.340 -0.005 0.000 0.231 843 R C 2.316 178.439 176.300 -0.295 0.000 1.119 843 R CA 0.659 56.629 56.100 -0.216 0.000 0.970 843 R CB -0.243 29.932 30.300 -0.208 0.000 0.864 843 R HN 0.113 nan 8.270 nan 0.000 0.440 844 L N 0.361 121.329 121.223 -0.425 0.000 2.093 844 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 844 L C 2.351 178.867 176.870 -0.590 0.000 1.085 844 L CA 1.370 55.810 54.840 -0.667 0.000 0.755 844 L CB -0.715 40.676 42.059 -1.113 0.000 0.904 844 L HN 0.217 nan 8.230 nan 0.000 0.435 845 C N -0.901 118.185 119.300 -0.358 0.000 2.411 845 C HA -0.166 4.291 4.460 -0.005 0.000 0.279 845 C C 2.820 177.536 174.990 -0.457 0.000 1.288 845 C CA 0.793 59.593 59.018 -0.364 0.000 1.764 845 C CB -0.916 26.772 27.740 -0.087 0.000 1.974 845 C HN 0.473 nan 8.230 nan 0.000 0.498 846 R N -0.852 119.484 120.500 -0.273 0.000 2.128 846 R HA 0.091 4.428 4.340 -0.005 0.000 0.211 846 R C 2.029 178.217 176.300 -0.185 0.000 1.067 846 R CA 0.418 56.403 56.100 -0.193 0.000 1.010 846 R CB -0.444 29.782 30.300 -0.124 0.000 0.922 846 R HN 0.328 nan 8.270 nan 0.000 0.457 847 L N 0.908 122.003 121.223 -0.215 0.000 2.023 847 L HA -0.086 4.251 4.340 -0.005 0.000 0.205 847 L C 2.013 178.777 176.870 -0.177 0.000 1.073 847 L CA 1.596 56.324 54.840 -0.187 0.000 0.745 847 L CB -0.370 41.565 42.059 -0.207 0.000 0.900 847 L HN -0.121 nan 8.230 nan 0.000 0.435 848 V N 0.572 120.351 119.914 -0.225 0.000 2.255 848 V HA -0.206 3.912 4.120 -0.005 0.000 0.247 848 V C -0.039 176.001 176.094 -0.090 0.000 1.051 848 V CA 2.364 64.580 62.300 -0.140 0.000 1.018 848 V CB -2.002 29.776 31.823 -0.075 0.000 0.641 848 V HN 0.354 nan 8.190 nan 0.000 0.445 849 P HA -0.163 nan 4.420 nan 0.000 0.215 849 P C 1.650 178.915 177.300 -0.059 0.000 1.153 849 P CA 1.523 64.581 63.100 -0.070 0.000 0.853 849 P CB 0.071 31.738 31.700 -0.055 0.000 0.788 850 E N -0.154 120.008 120.200 -0.065 0.000 2.051 850 E HA -0.149 4.198 4.350 -0.005 0.000 0.192 850 E C 1.863 178.444 176.600 -0.033 0.000 0.991 850 E CA 1.340 57.715 56.400 -0.042 0.000 0.799 850 E CB -1.274 28.395 29.700 -0.052 0.000 0.748 850 E HN -0.103 nan 8.360 nan 0.000 0.449 851 V N 0.602 120.486 119.914 -0.049 0.000 2.287 851 V HA -0.309 3.808 4.120 -0.005 0.000 0.248 851 V C 2.494 178.584 176.094 -0.006 0.000 1.053 851 V CA 2.267 64.547 62.300 -0.034 0.000 1.027 851 V CB -0.515 31.278 31.823 -0.050 0.000 0.646 851 V HN 0.369 nan 8.190 nan 0.000 0.447 852 M N -0.788 118.795 119.600 -0.029 0.000 2.175 852 M HA -0.181 4.296 4.480 -0.005 0.000 0.264 852 M C 2.167 178.550 176.300 0.137 0.000 1.063 852 M CA 1.788 57.085 55.300 -0.005 0.000 1.119 852 M CB -0.460 31.968 32.600 -0.286 0.000 1.377 852 M HN 0.354 nan 8.290 nan 0.000 0.415 853 E N -0.212 120.028 120.200 0.068 0.000 2.152 853 E HA -0.146 4.201 4.350 -0.005 0.000 0.192 853 E C 1.741 178.383 176.600 0.071 0.000 0.983 853 E CA 0.688 57.153 56.400 0.108 0.000 0.818 853 E CB 0.125 29.857 29.700 0.053 0.000 0.758 853 E HN 0.431 nan 8.360 nan 0.000 0.467 854 Q N -0.595 119.228 119.800 0.039 0.000 2.319 854 Q HA 0.193 4.530 4.340 -0.005 0.000 0.202 854 Q C 1.692 177.698 176.000 0.011 0.000 0.896 854 Q CA 0.279 56.091 55.803 0.016 0.000 0.942 854 Q CB 0.706 29.445 28.738 0.002 0.000 1.083 854 Q HN 0.194 nan 8.270 nan 0.000 0.510 855 A N 1.045 123.884 122.820 0.032 0.000 1.903 855 A HA -0.080 4.237 4.320 -0.005 0.000 0.219 855 A C 1.319 178.893 177.584 -0.017 0.000 1.191 855 A CA 1.931 53.979 52.037 0.018 0.000 0.638 855 A CB -0.245 18.788 19.000 0.055 0.000 0.823 855 A HN 0.241 nan 8.150 nan 0.000 0.451 856 V N -5.343 114.547 119.914 -0.039 0.000 3.130 856 V HA 0.721 4.838 4.120 -0.005 0.000 0.310 856 V C -0.663 175.382 176.094 -0.081 0.000 1.158 856 V CA -0.537 61.719 62.300 -0.074 0.000 1.029 856 V CB 1.698 33.446 31.823 -0.125 0.000 1.057 856 V HN 0.048 nan 8.190 nan 0.000 0.436 857 T N 4.090 118.593 114.554 -0.085 0.000 2.772 857 T HA 0.722 5.069 4.350 -0.005 0.000 0.288 857 T C -0.278 174.350 174.700 -0.119 0.000 0.994 857 T CA -0.205 61.853 62.100 -0.070 0.000 0.951 857 T CB 0.699 69.552 68.868 -0.027 0.000 0.933 857 T HN 0.634 nan 8.240 nan 0.000 0.447 858 L N 2.189 123.327 121.223 -0.142 0.000 2.299 858 L HA 0.565 4.902 4.340 -0.005 0.000 0.268 858 L C 1.655 178.573 176.870 0.081 0.000 1.012 858 L CA -1.214 53.501 54.840 -0.207 0.000 0.816 858 L CB 1.191 43.033 42.059 -0.361 0.000 1.355 858 L HN 0.516 nan 8.230 nan 0.000 0.457 859 R N -0.154 120.557 120.500 0.351 0.000 2.316 859 R HA 0.030 4.367 4.340 -0.005 0.000 0.202 859 R C -0.139 176.233 176.300 0.121 0.000 1.029 859 R CA 0.363 56.584 56.100 0.201 0.000 1.018 859 R CB -0.117 30.277 30.300 0.157 0.000 0.888 859 R HN 0.502 nan 8.270 nan 0.000 0.471 860 V N -2.785 117.186 119.914 0.095 0.000 3.040 860 V HA 0.595 4.712 4.120 -0.005 0.000 0.312 860 V C -2.818 173.282 176.094 0.010 0.000 1.115 860 V CA -3.206 59.134 62.300 0.066 0.000 0.998 860 V CB 2.214 34.086 31.823 0.082 0.000 1.042 860 V HN -0.204 nan 8.190 nan 0.000 0.433 861 P HA 0.487 nan 4.420 nan 0.000 0.274 861 P C -0.954 176.324 177.300 -0.037 0.000 1.246 861 P CA -0.379 62.724 63.100 0.004 0.000 0.795 861 P CB 0.537 32.257 31.700 0.034 0.000 1.006 862 L N 1.445 122.661 121.223 -0.012 0.000 2.317 862 L HA 0.490 4.827 4.340 -0.005 0.000 0.281 862 L C 0.471 177.383 176.870 0.070 0.000 1.024 862 L CA -0.607 54.240 54.840 0.012 0.000 0.810 862 L CB 1.331 43.426 42.059 0.060 0.000 1.240 862 L HN 0.297 nan 8.230 nan 0.000 0.427 863 K N 2.647 123.100 120.400 0.089 0.000 2.345 863 K HA 0.666 4.983 4.320 -0.005 0.000 0.255 863 K C -1.718 174.939 176.600 0.095 0.000 0.934 863 K CA -0.548 55.788 56.287 0.081 0.000 0.801 863 K CB 2.174 34.711 32.500 0.063 0.000 1.137 863 K HN 0.335 nan 8.250 nan 0.000 0.424 864 V N 3.792 123.732 119.914 0.043 0.000 2.531 864 V HA 0.283 4.400 4.120 -0.005 0.000 0.301 864 V C -0.712 175.401 176.094 0.032 0.000 1.034 864 V CA -0.952 61.333 62.300 -0.025 0.000 0.865 864 V CB 1.831 33.570 31.823 -0.140 0.000 0.995 864 V HN 0.831 nan 8.190 nan 0.000 0.424 865 D N 2.893 123.284 120.400 -0.016 0.000 2.326 865 D HA 0.651 5.288 4.640 -0.005 0.000 0.251 865 D C -0.941 175.267 176.300 -0.152 0.000 1.023 865 D CA 0.130 54.055 54.000 -0.126 0.000 0.966 865 D CB 2.256 42.975 40.800 -0.134 0.000 1.156 865 D HN 0.604 nan 8.370 nan 0.000 0.494 866 Y N -2.315 117.679 120.300 -0.511 0.000 2.581 866 Y HA 0.602 5.149 4.550 -0.005 0.000 0.337 866 Y C -1.040 174.257 175.900 -1.005 0.000 1.108 866 Y CA -0.948 56.775 58.100 -0.629 0.000 1.033 866 Y CB 1.569 39.767 38.460 -0.436 0.000 1.318 866 Y HN 0.284 nan 8.280 nan 0.000 0.459 867 H N 0.999 119.901 119.070 -0.280 0.000 3.037 867 H HA 0.471 5.025 4.556 -0.005 0.000 0.355 867 H C -1.805 173.416 175.328 -0.179 0.000 1.263 867 H CA -0.937 54.968 56.048 -0.239 0.000 1.129 867 H CB 2.694 32.329 29.762 -0.212 0.000 1.861 867 H HN 0.892 nan 8.280 nan 0.000 0.546 868 Y N -1.265 119.049 120.300 0.022 0.000 2.581 868 Y HA 0.725 5.273 4.550 -0.005 0.000 0.337 868 Y C -0.472 175.494 175.900 0.110 0.000 1.108 868 Y CA -0.767 57.377 58.100 0.073 0.000 1.033 868 Y CB 1.671 40.249 38.460 0.196 0.000 1.318 868 Y HN 0.943 nan 8.280 nan 0.000 0.459 869 G N -0.077 108.915 108.800 0.320 0.000 2.488 869 G HA2 0.381 4.338 3.960 -0.005 0.000 0.301 869 G HA3 0.381 4.338 3.960 -0.005 0.000 0.301 869 G C -0.327 174.719 174.900 0.244 0.000 1.339 869 G CA -0.517 44.717 45.100 0.224 0.000 0.803 869 G HN 1.198 nan 8.290 nan 0.000 0.482 870 S N -1.594 114.225 115.700 0.198 0.000 2.515 870 S HA 0.252 4.719 4.470 -0.005 0.000 0.231 870 S C 1.120 175.839 174.600 0.197 0.000 0.987 870 S CA 1.601 59.912 58.200 0.185 0.000 0.936 870 S CB -0.438 62.849 63.200 0.145 0.000 0.766 870 S HN 1.783 nan 8.310 nan 0.000 0.528 871 T N -4.720 109.973 114.554 0.233 0.000 2.816 871 T HA 0.386 4.733 4.350 -0.005 0.000 0.299 871 T C -0.153 174.773 174.700 0.377 0.000 1.230 871 T CA -0.715 61.557 62.100 0.287 0.000 1.007 871 T CB 0.434 69.464 68.868 0.271 0.000 1.289 871 T HN 0.132 nan 8.240 nan 0.000 0.508 872 W N 0.510 121.933 121.300 0.204 0.000 2.363 872 W HA -0.081 4.576 4.660 -0.005 0.000 0.296 872 W C 1.900 178.498 176.519 0.131 0.000 1.212 872 W CA 1.051 58.487 57.345 0.152 0.000 1.260 872 W CB -1.111 28.433 29.460 0.140 0.000 1.131 872 W HN 0.902 nan 8.180 nan 0.000 0.530 873 Y N 1.615 122.025 120.300 0.182 0.000 2.165 873 Y HA -0.262 4.285 4.550 -0.005 0.000 0.286 873 Y C 2.158 178.067 175.900 0.016 0.000 1.155 873 Y CA 2.650 60.750 58.100 0.000 0.000 1.164 873 Y CB -0.610 37.853 38.460 0.006 0.000 0.978 873 Y HN -0.149 nan 8.280 nan 0.000 0.513 874 D N 0.376 120.900 120.400 0.206 0.000 2.312 874 D HA -0.018 4.619 4.640 -0.005 0.000 0.211 874 D C 0.997 177.298 176.300 0.003 0.000 0.964 874 D CA 0.987 55.033 54.000 0.076 0.000 0.877 874 D CB -0.275 40.623 40.800 0.163 0.000 0.924 874 D HN 0.365 nan 8.370 nan 0.000 0.515 875 A N 1.762 124.638 122.820 0.093 0.000 3.004 875 A HA 0.118 4.435 4.320 -0.005 0.000 0.252 875 A C 0.598 178.171 177.584 -0.019 0.000 1.802 875 A CA 0.033 52.133 52.037 0.105 0.000 1.424 875 A CB -0.867 18.273 19.000 0.234 0.000 1.005 875 A HN 0.233 nan 8.150 nan 0.000 0.631 876 K N 0.000 120.278 120.400 -0.203 0.000 2.780 876 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 876 K CA 0.000 55.963 56.287 -0.539 0.000 0.838 876 K CB 0.000 32.215 32.500 -0.475 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543