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 3iyn_1_H DATA FIRST_RESID 2 DATA SEQUENCE TPSMMPQWSY MHISGQDASE YLSPGLVQFA RATETYFSLN NKFRNPTVAP DATA SEQUENCE THDVTTDRSQ RLTLRFIPVD REDTAYSYKA RFTLAVGDNR VLDMASTYFD DATA SEQUENCE IRGVLDRGPT FKPYSGTAYN ALAPKGAPNP CEWDXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXTHVFGQA PYSGINITKE GIQIGVEGQT PKYADKTFQP DATA SEQUENCE EPQIGESQWY ETEINHAAGR VLKKTTPMKP CYGSYAKPTN ENGGQGILVK DATA SEQUENCE QQNGKLESQV EMQFFSTTEA TAGNGDNLTP KVVLYSEDVD IETPDTHISY DATA SEQUENCE MPTIKEGNSR ELMGQQSMPN RPNYIAFRDN FIGLMYYNST GNMGVLAGQA DATA SEQUENCE SQLNAVVDLQ DRNTELSYQL LLDSIGDRTR YFSMWNQAVD SYDPDVRIIE DATA SEQUENCE NHGTEDELPN YCFPLGGVIN TETLTKVKPK TGQENGWEKD ATEFSDKNEI DATA SEQUENCE RVGNNFAMEI NLNANLWRNF LYSNIALYLP DKLKYSPSNV KISDNPNTYD DATA SEQUENCE YMNKRVVAPG LVDCYINLGA RWSLDYMDNV NPFNHHRNAG LRYRSMLLGN DATA SEQUENCE GRYVPFHIQV PQKFFAIKNL LLLPGSYTYE WNFRKDVNMV LQSSLGNDLR DATA SEQUENCE VDGASIKFDS ICLYATFFPM AHNTASTLEA MLRNDTNDQS FNDYLSAANM DATA SEQUENCE LYPIPANATN VPISIPSRNW AAFRGWAFTR LKTKETPSLG SGYDPYYTYS DATA SEQUENCE GSIPYLDGTF YLNHTFKKVA ITFDSSVSWP GNDRLLTPNE FEIKRSVDGE DATA SEQUENCE GYNVAQCNMT KDWFLVQMLA NYNIGYQGFY IPESYKDRMY SFFRNFQPMS DATA SEQUENCE RQVVDDTKYK DYQQVGILHQ HNNSGFVGYL APTMREGQAY PANFPYPLIG DATA SEQUENCE KTAVDSITQK KFLCDRTLWR IPFSSNFMSM GALTDLGQNL LYANSAHALD DATA SEQUENCE MTFEVDPMDE PTLLYVLFEV FDVVRVHRPH RGVIETVYLR TPFSAGNA 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.681 174.700 -0.032 0.000 1.109 2 T CA 0.000 62.101 62.100 0.002 0.000 1.349 2 T CB 0.000 68.881 68.868 0.022 0.000 0.612 3 P HA -0.120 nan 4.420 nan 0.000 0.215 3 P C 0.961 178.196 177.300 -0.109 0.000 0.941 3 P CA 0.844 63.910 63.100 -0.057 0.000 0.989 3 P CB -0.567 31.104 31.700 -0.048 0.000 0.613 4 S N 0.292 115.923 115.700 -0.114 0.000 2.546 4 S HA 0.190 4.660 4.470 0.000 0.000 0.290 4 S C 0.336 174.797 174.600 -0.232 0.000 1.290 4 S CA -0.555 57.547 58.200 -0.163 0.000 1.069 4 S CB -1.002 62.125 63.200 -0.121 0.000 0.846 4 S HN 0.346 nan 8.310 nan 0.000 0.495 5 M N 6.382 125.745 119.600 -0.394 0.000 2.078 5 M HA 0.409 4.889 4.480 0.000 0.000 0.320 5 M C 0.028 175.977 176.300 -0.586 0.000 0.969 5 M CA -0.583 54.472 55.300 -0.408 0.000 0.929 5 M CB 1.630 34.009 32.600 -0.368 0.000 1.504 5 M HN 0.639 nan 8.290 nan 0.000 0.419 6 M N 2.086 121.489 119.600 -0.328 0.000 2.447 6 M HA 0.227 4.707 4.480 0.000 0.000 0.266 6 M C -1.110 175.127 176.300 -0.105 0.000 1.120 6 M CA 0.352 55.528 55.300 -0.206 0.000 1.166 6 M CB -1.923 30.637 32.600 -0.066 0.000 1.349 6 M HN 0.416 nan 8.290 nan 0.000 0.463 7 P HA -0.166 nan 4.420 nan 0.000 0.216 7 P C 1.607 178.896 177.300 -0.018 0.000 1.153 7 P CA 1.487 64.555 63.100 -0.054 0.000 0.858 7 P CB -0.090 31.558 31.700 -0.085 0.000 0.789 8 Q N -1.681 118.069 119.800 -0.083 0.000 2.030 8 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 8 Q C 1.969 178.086 176.000 0.195 0.000 0.986 8 Q CA 1.777 57.581 55.803 0.002 0.000 0.843 8 Q CB -0.897 27.783 28.738 -0.097 0.000 0.904 8 Q HN 0.258 nan 8.270 nan 0.000 0.420 9 W N -0.287 121.027 121.300 0.022 0.000 2.381 9 W HA -0.045 4.615 4.660 0.000 0.000 0.321 9 W C 2.627 179.130 176.519 -0.027 0.000 1.196 9 W CA 1.090 58.440 57.345 0.009 0.000 1.304 9 W CB -1.766 27.703 29.460 0.015 0.000 1.166 9 W HN 0.218 nan 8.180 nan 0.000 0.473 10 S N -0.163 115.674 115.700 0.229 0.000 2.393 10 S HA -0.374 4.096 4.470 0.000 0.000 0.234 10 S C 1.963 176.484 174.600 -0.130 0.000 1.064 10 S CA 2.218 60.459 58.200 0.067 0.000 1.088 10 S CB -1.062 62.178 63.200 0.066 0.000 0.939 10 S HN 0.261 nan 8.310 nan 0.000 0.448 11 Y N 1.181 121.376 120.300 -0.174 0.000 2.145 11 Y HA 0.035 4.585 4.550 0.000 0.000 0.286 11 Y C 2.136 177.811 175.900 -0.375 0.000 1.145 11 Y CA 1.960 59.898 58.100 -0.269 0.000 1.148 11 Y CB -0.255 38.127 38.460 -0.131 0.000 0.981 11 Y HN 0.271 nan 8.280 nan 0.000 0.507 12 M N -0.189 119.312 119.600 -0.165 0.000 2.618 12 M HA -0.008 4.472 4.480 0.000 0.000 0.240 12 M C -0.027 176.206 176.300 -0.112 0.000 1.123 12 M CA 0.800 56.001 55.300 -0.164 0.000 1.060 12 M CB -1.296 31.343 32.600 0.066 0.000 1.535 12 M HN 0.429 nan 8.290 nan 0.000 0.507 13 H N -1.050 117.953 119.070 -0.112 0.000 2.936 13 H HA -0.145 4.411 4.556 0.000 0.000 0.276 13 H C 1.164 176.471 175.328 -0.036 0.000 1.216 13 H CA 0.548 56.528 56.048 -0.114 0.000 1.132 13 H CB -1.514 28.145 29.762 -0.172 0.000 1.303 13 H HN 0.299 nan 8.280 nan 0.000 0.370 14 I N -0.138 120.469 120.570 0.061 0.000 2.546 14 I HA -0.069 4.101 4.170 0.000 0.000 0.255 14 I C 1.602 177.674 176.117 -0.075 0.000 1.163 14 I CA 1.514 62.760 61.300 -0.091 0.000 1.457 14 I CB -0.344 37.464 38.000 -0.320 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.182 114.577 115.700 0.099 0.000 2.705 15 S HA 0.799 5.269 4.470 0.000 0.000 0.280 15 S C -0.010 174.691 174.600 0.169 0.000 1.174 15 S CA 0.025 58.312 58.200 0.145 0.000 0.823 15 S CB 2.296 65.665 63.200 0.282 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.574 109.469 108.800 0.159 0.000 2.445 16 G HA2 -0.015 3.945 3.960 0.000 0.000 0.212 16 G HA3 -0.015 3.945 3.960 0.000 0.000 0.212 16 G C -1.045 173.957 174.900 0.169 0.000 1.217 16 G CA -0.266 44.928 45.100 0.157 0.000 1.002 16 G HN 0.974 nan 8.290 nan 0.000 0.574 17 Q N 0.353 120.283 119.800 0.217 0.000 2.249 17 Q HA 0.498 4.838 4.340 0.000 0.000 0.226 17 Q C -0.514 175.658 176.000 0.286 0.000 0.983 17 Q CA -0.692 55.245 55.803 0.223 0.000 0.930 17 Q CB 0.857 29.734 28.738 0.231 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.340 120.154 120.400 0.156 0.000 2.354 18 D HA 0.147 4.787 4.640 0.000 0.000 0.247 18 D C 0.604 176.831 176.300 -0.123 0.000 1.138 18 D CA 0.019 54.058 54.000 0.065 0.000 0.958 18 D CB 1.332 42.128 40.800 -0.007 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.058 123.662 122.820 -0.361 0.000 1.948 19 A HA -0.222 4.098 4.320 0.000 0.000 0.220 19 A C 2.009 179.213 177.584 -0.634 0.000 1.177 19 A CA 2.408 53.894 52.037 -0.919 0.000 0.636 19 A CB -0.707 17.953 19.000 -0.567 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.704 114.799 115.700 -0.328 0.000 2.500 20 S HA -0.127 4.343 4.470 0.000 0.000 0.239 20 S C 1.400 175.896 174.600 -0.173 0.000 0.989 20 S CA 1.414 59.480 58.200 -0.223 0.000 0.951 20 S CB -0.218 62.902 63.200 -0.133 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.110 120.217 120.200 -0.156 0.000 2.207 21 E HA 0.087 4.437 4.350 0.000 0.000 0.197 21 E C 1.517 178.111 176.600 -0.010 0.000 0.914 21 E CA 0.496 56.866 56.400 -0.050 0.000 0.914 21 E CB -0.266 29.447 29.700 0.022 0.000 0.893 21 E HN 0.769 nan 8.360 nan 0.000 0.479 22 Y N 1.276 121.576 120.300 0.001 0.000 2.578 22 Y HA 0.294 4.844 4.550 0.000 0.000 0.297 22 Y C 0.070 175.968 175.900 -0.002 0.000 1.176 22 Y CA 0.050 58.180 58.100 0.050 0.000 1.315 22 Y CB -0.243 38.326 38.460 0.183 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.804 122.766 121.223 -0.435 0.000 2.322 23 L HA 0.343 4.683 4.340 0.000 0.000 0.281 23 L C 0.351 177.080 176.870 -0.234 0.000 1.014 23 L CA -1.218 53.352 54.840 -0.450 0.000 0.815 23 L CB 1.619 43.195 42.059 -0.805 0.000 1.247 23 L HN 0.239 nan 8.230 nan 0.000 0.421 24 S N 2.282 117.895 115.700 -0.145 0.000 2.817 24 S HA -0.053 4.417 4.470 0.000 0.000 0.333 24 S C -1.846 172.692 174.600 -0.103 0.000 1.227 24 S CA -0.722 57.425 58.200 -0.087 0.000 1.027 24 S CB 0.135 63.296 63.200 -0.065 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.044 nan 4.420 nan 0.000 0.214 25 P C 1.883 179.158 177.300 -0.041 0.000 1.163 25 P CA 1.765 64.833 63.100 -0.053 0.000 0.889 25 P CB -0.528 31.155 31.700 -0.029 0.000 0.790 26 G N -0.038 108.747 108.800 -0.026 0.000 2.446 26 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 26 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 26 G C 1.495 176.402 174.900 0.011 0.000 1.168 26 G CA 0.727 45.825 45.100 -0.002 0.000 0.771 26 G HN 0.213 nan 8.290 nan 0.000 0.551 27 L N 0.879 122.081 121.223 -0.035 0.000 2.046 27 L HA -0.038 4.302 4.340 0.000 0.000 0.208 27 L C 2.991 179.854 176.870 -0.011 0.000 1.077 27 L CA 1.443 56.260 54.840 -0.038 0.000 0.747 27 L CB -0.628 41.350 42.059 -0.135 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.404 119.455 119.914 -0.093 0.000 2.287 28 V HA -0.367 3.753 4.120 0.000 0.000 0.248 28 V C 2.585 178.663 176.094 -0.027 0.000 1.053 28 V CA 2.116 64.355 62.300 -0.103 0.000 1.027 28 V CB -0.791 30.950 31.823 -0.137 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.753 119.049 119.800 0.004 0.000 2.084 29 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 29 Q C 2.130 178.162 176.000 0.053 0.000 0.978 29 Q CA 2.196 58.011 55.803 0.019 0.000 0.844 29 Q CB -0.233 28.523 28.738 0.029 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.374 120.306 119.950 -0.030 0.000 2.186 30 F HA -0.086 4.441 4.527 0.000 0.000 0.299 30 F C 1.932 177.723 175.800 -0.014 0.000 1.090 30 F CA 1.366 59.363 58.000 -0.005 0.000 1.307 30 F CB -0.330 38.679 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.454 123.333 122.820 0.098 0.000 1.969 31 A HA -0.154 4.166 4.320 0.000 0.000 0.218 31 A C 2.338 179.843 177.584 -0.131 0.000 1.169 31 A CA 1.469 53.502 52.037 -0.006 0.000 0.635 31 A CB -0.784 18.250 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.572 119.861 120.500 -0.112 0.000 2.115 32 R HA 0.029 4.369 4.340 0.000 0.000 0.226 32 R C 2.084 178.288 176.300 -0.160 0.000 1.100 32 R CA 1.196 57.227 56.100 -0.115 0.000 0.980 32 R CB -0.246 30.008 30.300 -0.077 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.083 122.613 122.820 -0.207 0.000 2.021 33 A HA -0.037 4.283 4.320 0.000 0.000 0.216 33 A C 1.831 179.186 177.584 -0.382 0.000 1.163 33 A CA 1.268 53.173 52.037 -0.220 0.000 0.676 33 A CB -0.246 18.656 19.000 -0.163 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.282 111.913 114.554 -0.599 0.000 3.129 34 T HA 0.087 4.437 4.350 0.000 0.000 0.251 34 T C 0.970 175.277 174.700 -0.655 0.000 1.117 34 T CA 0.782 62.328 62.100 -0.923 0.000 1.034 34 T CB -0.009 68.297 68.868 -0.936 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.421 122.389 120.200 -0.387 0.000 2.453 35 E HA -0.058 4.292 4.350 0.000 0.000 0.207 35 E C 1.356 177.821 176.600 -0.225 0.000 1.212 35 E CA 0.907 57.161 56.400 -0.243 0.000 0.959 35 E CB -0.805 28.799 29.700 -0.160 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.530 110.817 114.554 -0.345 0.000 3.330 36 T HA 0.028 4.378 4.350 0.000 0.000 0.240 36 T C 1.662 176.315 174.700 -0.079 0.000 0.988 36 T CA 0.360 62.358 62.100 -0.171 0.000 1.253 36 T CB -0.726 68.116 68.868 -0.043 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.559 120.875 120.300 0.027 0.000 2.190 37 Y HA 0.601 5.151 4.550 0.000 0.000 0.290 37 Y C 0.828 176.835 175.900 0.178 0.000 1.115 37 Y CA -0.917 57.234 58.100 0.086 0.000 1.107 37 Y CB -0.465 38.047 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.445 121.314 119.950 -0.135 0.000 2.420 38 F HA 0.540 5.067 4.527 0.000 0.000 0.342 38 F C -0.166 175.560 175.800 -0.123 0.000 1.113 38 F CA -1.513 56.473 58.000 -0.024 0.000 1.059 38 F CB 1.631 40.718 39.000 0.145 0.000 1.128 38 F HN -0.087 nan 8.300 nan 0.000 0.475 39 S N 5.872 121.405 115.700 -0.278 0.000 2.530 39 S HA 0.511 4.981 4.470 0.000 0.000 0.322 39 S C 0.278 174.774 174.600 -0.173 0.000 1.085 39 S CA -0.580 57.508 58.200 -0.187 0.000 1.096 39 S CB 0.474 63.576 63.200 -0.163 0.000 0.988 39 S HN 0.719 nan 8.310 nan 0.000 0.466 40 L N 4.428 125.653 121.223 0.005 0.000 2.693 40 L HA 0.252 4.592 4.340 0.000 0.000 0.235 40 L C 1.751 178.728 176.870 0.179 0.000 1.127 40 L CA -0.169 54.748 54.840 0.127 0.000 0.914 40 L CB -0.168 42.108 42.059 0.361 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.704 120.457 118.700 0.088 0.000 2.104 41 N HA -0.196 4.544 4.740 0.000 0.000 0.190 41 N C 1.457 177.008 175.510 0.068 0.000 1.024 41 N CA 1.701 54.807 53.050 0.095 0.000 0.853 41 N CB -0.474 38.021 38.487 0.013 0.000 1.008 41 N HN 0.497 nan 8.380 nan 0.000 0.424 42 N N 1.364 120.053 118.700 -0.017 0.000 2.571 42 N HA -0.085 4.655 4.740 0.000 0.000 0.189 42 N C 0.510 175.948 175.510 -0.121 0.000 1.154 42 N CA 0.540 53.557 53.050 -0.055 0.000 0.907 42 N CB 0.037 38.481 38.487 -0.073 0.000 0.977 42 N HN 0.157 nan 8.380 nan 0.000 0.449 43 K N -0.200 120.070 120.400 -0.217 0.000 2.367 43 K HA 0.146 4.466 4.320 0.000 0.000 0.194 43 K C -0.500 175.616 176.600 -0.806 0.000 1.027 43 K CA 0.101 56.054 56.287 -0.556 0.000 1.075 43 K CB 0.268 32.269 32.500 -0.831 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.108 121.050 119.950 -0.012 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.395 176.192 175.800 -0.006 0.000 1.144 44 F CA -1.435 56.571 58.000 0.009 0.000 0.924 44 F CB 1.271 40.243 39.000 -0.047 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.444 123.043 120.500 0.165 0.000 2.590 45 R HA 0.261 4.601 4.340 0.000 0.000 0.274 45 R C -0.952 175.402 176.300 0.089 0.000 1.061 45 R CA 0.067 56.222 56.100 0.092 0.000 1.081 45 R CB 0.123 30.473 30.300 0.082 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.262 124.999 118.700 0.060 0.000 2.524 46 N HA 0.305 5.045 4.740 0.000 0.000 0.261 46 N C -2.549 172.989 175.510 0.048 0.000 0.998 46 N CA -1.328 51.755 53.050 0.054 0.000 0.915 46 N CB 1.918 40.417 38.487 0.021 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.121 nan 4.420 nan 0.000 0.272 47 P C -0.545 176.768 177.300 0.023 0.000 1.223 47 P CA -0.093 63.032 63.100 0.041 0.000 0.784 47 P CB 0.771 32.513 31.700 0.070 0.000 0.923 48 T N -1.303 113.248 114.554 -0.005 0.000 2.879 48 T HA 0.542 4.892 4.350 0.000 0.000 0.290 48 T C -0.524 174.163 174.700 -0.022 0.000 0.993 48 T CA -0.696 61.400 62.100 -0.007 0.000 0.975 48 T CB 0.850 69.710 68.868 -0.013 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.107 122.019 119.914 -0.003 0.000 2.540 49 V HA 0.810 4.930 4.120 0.000 0.000 0.302 49 V C 0.424 176.522 176.094 0.008 0.000 1.035 49 V CA -1.130 61.168 62.300 -0.003 0.000 0.873 49 V CB 1.594 33.434 31.823 0.029 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.379 129.201 122.820 0.004 0.000 2.327 50 A HA 0.826 5.146 4.320 0.000 0.000 0.283 50 A C -1.714 175.884 177.584 0.023 0.000 1.127 50 A CA -1.243 50.801 52.037 0.012 0.000 0.810 50 A CB -0.030 18.975 19.000 0.008 0.000 1.066 50 A HN 0.746 nan 8.150 nan 0.000 0.492 51 P HA 0.081 nan 4.420 nan 0.000 0.270 51 P C 0.235 177.546 177.300 0.018 0.000 1.221 51 P CA 0.524 63.612 63.100 -0.020 0.000 0.788 51 P CB 0.349 31.997 31.700 -0.086 0.000 0.904 52 T N -3.296 111.291 114.554 0.056 0.000 3.460 52 T HA 0.243 4.593 4.350 0.000 0.000 0.304 52 T C 0.077 174.911 174.700 0.223 0.000 0.991 52 T CA -0.508 61.673 62.100 0.135 0.000 0.975 52 T CB -0.856 68.113 68.868 0.168 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.560 117.538 119.070 0.046 0.000 3.093 53 H HA 0.307 4.863 4.556 0.000 0.000 0.312 53 H C -1.639 173.719 175.328 0.051 0.000 1.213 53 H CA -0.534 55.539 56.048 0.042 0.000 1.366 53 H CB 0.128 29.913 29.762 0.037 0.000 1.998 53 H HN 0.018 nan 8.280 nan 0.000 0.522 54 D N 1.262 121.713 120.400 0.084 0.000 2.775 54 D HA -0.107 4.533 4.640 0.000 0.000 0.235 54 D C 0.527 176.844 176.300 0.028 0.000 1.120 54 D CA 1.185 55.214 54.000 0.049 0.000 0.708 54 D CB -1.517 39.303 40.800 0.035 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.930 118.026 119.914 0.069 0.000 3.837 55 V HA 0.130 4.250 4.120 0.000 0.000 0.182 55 V C 0.909 177.128 176.094 0.208 0.000 1.356 55 V CA 1.064 63.448 62.300 0.141 0.000 1.260 55 V CB 0.890 32.774 31.823 0.102 0.000 1.287 55 V HN 0.131 nan 8.190 nan 0.000 0.572 56 T N 0.809 115.420 114.554 0.094 0.000 2.940 56 T HA 0.494 4.844 4.350 0.000 0.000 0.288 56 T C -0.301 174.390 174.700 -0.016 0.000 1.033 56 T CA -0.016 62.094 62.100 0.016 0.000 1.033 56 T CB 2.012 70.847 68.868 -0.054 0.000 1.079 56 T HN 0.360 nan 8.240 nan 0.000 0.496 57 T N 0.371 114.882 114.554 -0.071 0.000 2.922 57 T HA 0.226 4.576 4.350 0.000 0.000 0.285 57 T C 0.212 174.838 174.700 -0.124 0.000 1.005 57 T CA -0.652 61.348 62.100 -0.166 0.000 1.061 57 T CB 0.424 69.089 68.868 -0.338 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.491 121.816 120.400 -0.126 0.000 2.366 58 D HA 0.100 4.740 4.640 0.000 0.000 0.205 58 D C 1.070 177.329 176.300 -0.068 0.000 1.022 58 D CA 0.209 54.166 54.000 -0.071 0.000 0.868 58 D CB 0.111 40.885 40.800 -0.043 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.543 120.980 120.500 -0.105 0.000 2.560 59 R HA 0.355 4.695 4.340 0.000 0.000 0.270 59 R C 0.348 176.629 176.300 -0.031 0.000 1.074 59 R CA -0.479 55.589 56.100 -0.054 0.000 1.140 59 R CB 0.756 31.035 30.300 -0.034 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.840 116.537 115.700 -0.004 0.000 2.552 60 S HA -0.016 4.454 4.470 0.000 0.000 0.289 60 S C -0.576 174.031 174.600 0.011 0.000 1.304 60 S CA 0.021 58.221 58.200 -0.000 0.000 1.063 60 S CB 0.195 63.396 63.200 0.003 0.000 0.848 60 S HN 0.618 nan 8.310 nan 0.000 0.499 61 Q N 2.703 122.504 119.800 0.002 0.000 2.403 61 Q HA 0.311 4.651 4.340 0.000 0.000 0.267 61 Q C -1.575 174.421 176.000 -0.007 0.000 0.991 61 Q CA -0.763 55.042 55.803 0.002 0.000 0.906 61 Q CB 1.144 29.901 28.738 0.030 0.000 1.422 61 Q HN 0.791 nan 8.270 nan 0.000 0.400 62 R N 2.710 123.197 120.500 -0.023 0.000 2.390 62 R HA 0.274 4.614 4.340 0.000 0.000 0.291 62 R C 0.831 177.155 176.300 0.040 0.000 1.070 62 R CA -0.129 55.972 56.100 0.001 0.000 1.014 62 R CB 0.692 30.986 30.300 -0.011 0.000 1.007 62 R HN 0.601 nan 8.270 nan 0.000 0.466 63 L N 0.800 122.071 121.223 0.080 0.000 2.162 63 L HA 0.023 4.363 4.340 0.000 0.000 0.205 63 L C 0.108 177.120 176.870 0.235 0.000 1.086 63 L CA 1.177 56.099 54.840 0.137 0.000 0.778 63 L CB 0.425 42.538 42.059 0.089 0.000 0.928 63 L HN 0.672 nan 8.230 nan 0.000 0.446 64 T N 0.646 115.323 114.554 0.205 0.000 2.841 64 T HA 0.479 4.829 4.350 0.000 0.000 0.285 64 T C -0.498 174.336 174.700 0.223 0.000 0.991 64 T CA -0.395 61.861 62.100 0.261 0.000 0.966 64 T CB 1.957 70.975 68.868 0.250 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.734 124.116 121.223 0.265 0.000 2.331 65 L HA 0.671 5.011 4.340 0.000 0.000 0.275 65 L C 0.282 177.152 176.870 -0.000 0.000 1.022 65 L CA -1.042 53.877 54.840 0.131 0.000 0.812 65 L CB 1.866 44.054 42.059 0.215 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.612 121.991 120.500 -0.201 0.000 2.480 66 R HA 0.537 4.877 4.340 0.000 0.000 0.306 66 R C -1.738 174.370 176.300 -0.320 0.000 0.958 66 R CA -0.451 55.371 56.100 -0.463 0.000 0.861 66 R CB 1.327 31.302 30.300 -0.541 0.000 1.171 66 R HN 0.357 nan 8.270 nan 0.000 0.445 67 F N 4.342 124.179 119.950 -0.189 0.000 2.469 67 F HA 0.473 5.000 4.527 0.000 0.000 0.332 67 F C 0.138 176.049 175.800 0.183 0.000 1.103 67 F CA -0.790 57.232 58.000 0.037 0.000 0.979 67 F CB 1.443 40.516 39.000 0.121 0.000 1.137 67 F HN 0.234 nan 8.300 nan 0.000 0.463 68 I N 4.147 124.939 120.570 0.369 0.000 2.498 68 I HA 0.321 4.491 4.170 0.000 0.000 0.301 68 I C -2.248 174.046 176.117 0.294 0.000 0.984 68 I CA -2.914 58.565 61.300 0.298 0.000 1.204 68 I CB 1.248 39.317 38.000 0.116 0.000 1.362 68 I HN 0.275 nan 8.210 nan 0.000 0.471 69 P HA 0.024 nan 4.420 nan 0.000 0.268 69 P C 0.748 177.948 177.300 -0.166 0.000 1.204 69 P CA 0.162 63.007 63.100 -0.425 0.000 0.768 69 P CB 0.973 32.420 31.700 -0.423 0.000 0.842 70 V N 1.751 121.568 119.914 -0.162 0.000 3.052 70 V HA 0.046 4.166 4.120 0.000 0.000 0.254 70 V C 0.141 176.178 176.094 -0.096 0.000 1.100 70 V CA 1.439 63.705 62.300 -0.057 0.000 1.112 70 V CB -0.391 31.433 31.823 0.002 0.000 0.738 70 V HN 0.606 nan 8.190 nan 0.000 0.469 71 D N -0.714 119.585 120.400 -0.168 0.000 2.886 71 D HA 0.444 5.084 4.640 0.000 0.000 0.216 71 D C -0.783 175.381 176.300 -0.226 0.000 1.256 71 D CA -0.441 53.463 54.000 -0.160 0.000 0.844 71 D CB 1.411 42.134 40.800 -0.128 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.201 122.573 120.500 -0.215 0.000 2.686 72 R HA 0.576 4.916 4.340 0.000 0.000 0.283 72 R C -0.874 175.234 176.300 -0.320 0.000 0.978 72 R CA -0.872 55.047 56.100 -0.302 0.000 0.897 72 R CB 2.224 32.373 30.300 -0.252 0.000 1.192 72 R HN 0.339 nan 8.270 nan 0.000 0.457 73 E N 1.619 121.547 120.200 -0.453 0.000 2.580 73 E HA 0.062 4.412 4.350 0.000 0.000 0.248 73 E C -1.620 174.709 176.600 -0.451 0.000 1.018 73 E CA -0.482 55.705 56.400 -0.356 0.000 0.775 73 E CB 1.500 31.051 29.700 -0.248 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.204 122.379 120.400 -0.376 0.000 2.336 74 D HA 0.127 4.767 4.640 0.000 0.000 0.249 74 D C -0.494 175.776 176.300 -0.051 0.000 1.213 74 D CA 0.471 54.393 54.000 -0.130 0.000 0.870 74 D CB 0.833 41.735 40.800 0.170 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.987 116.513 114.554 -0.047 0.000 2.919 75 T HA 0.544 4.894 4.350 0.000 0.000 0.282 75 T C 1.449 176.078 174.700 -0.119 0.000 1.020 75 T CA -0.065 61.961 62.100 -0.123 0.000 0.994 75 T CB 1.406 70.138 68.868 -0.226 0.000 1.180 75 T HN 0.335 nan 8.240 nan 0.000 0.566 76 A N 0.526 123.220 122.820 -0.210 0.000 1.896 76 A HA -0.164 4.156 4.320 0.000 0.000 0.220 76 A C 1.501 179.049 177.584 -0.061 0.000 1.206 76 A CA 2.476 54.420 52.037 -0.155 0.000 0.647 76 A CB -0.947 17.945 19.000 -0.180 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.103 118.234 120.300 0.061 0.000 2.563 77 Y HA 0.522 5.072 4.550 0.000 0.000 0.250 77 Y C 0.295 176.338 175.900 0.238 0.000 1.126 77 Y CA -0.555 57.615 58.100 0.117 0.000 1.231 77 Y CB -0.547 37.966 38.460 0.089 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.880 114.914 115.700 0.155 0.000 2.618 78 S HA 0.640 5.110 4.470 0.000 0.000 0.277 78 S C -1.934 172.861 174.600 0.326 0.000 1.138 78 S CA -0.705 57.720 58.200 0.375 0.000 0.844 78 S CB 2.295 65.727 63.200 0.386 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.660 121.135 120.300 0.291 0.000 2.391 79 Y HA 0.679 5.229 4.550 0.000 0.000 0.341 79 Y C -0.567 175.446 175.900 0.189 0.000 0.965 79 Y CA -0.524 57.706 58.100 0.216 0.000 1.067 79 Y CB 1.789 40.410 38.460 0.267 0.000 1.199 79 Y HN 0.961 nan 8.280 nan 0.000 0.450 80 K N 4.140 124.423 120.400 -0.196 0.000 2.376 80 K HA 0.889 5.209 4.320 0.000 0.000 0.257 80 K C -1.822 174.646 176.600 -0.220 0.000 0.939 80 K CA -0.681 55.538 56.287 -0.113 0.000 0.809 80 K CB 1.241 33.642 32.500 -0.164 0.000 1.121 80 K HN 0.696 nan 8.250 nan 0.000 0.425 81 A N 4.282 127.064 122.820 -0.063 0.000 2.374 81 A HA 0.577 4.897 4.320 0.000 0.000 0.305 81 A C -1.236 176.200 177.584 -0.248 0.000 1.053 81 A CA -0.806 51.107 52.037 -0.207 0.000 0.726 81 A CB 1.264 20.194 19.000 -0.116 0.000 1.229 81 A HN 0.802 nan 8.150 nan 0.000 0.431 82 R N 1.647 121.900 120.500 -0.411 0.000 2.562 82 R HA 0.738 5.078 4.340 0.000 0.000 0.298 82 R C -1.736 174.314 176.300 -0.418 0.000 0.961 82 R CA -0.335 55.621 56.100 -0.241 0.000 0.881 82 R CB 0.983 31.211 30.300 -0.120 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.041 119.975 119.950 0.109 0.000 2.593 83 F HA 0.383 4.910 4.527 0.000 0.000 0.320 83 F C 0.211 176.045 175.800 0.057 0.000 1.060 83 F CA -0.836 57.232 58.000 0.113 0.000 0.940 83 F CB 2.470 41.554 39.000 0.141 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.381 118.040 114.554 0.174 0.000 3.042 84 T HA 0.294 4.644 4.350 0.000 0.000 0.356 84 T C -0.763 173.668 174.700 -0.448 0.000 1.233 84 T CA -0.321 61.793 62.100 0.024 0.000 1.038 84 T CB 0.081 69.030 68.868 0.135 0.000 1.089 84 T HN 0.351 nan 8.240 nan 0.000 0.531 85 L N 4.411 125.442 121.223 -0.321 0.000 2.385 85 L HA 0.602 4.942 4.340 0.000 0.000 0.281 85 L C 0.096 176.876 176.870 -0.150 0.000 1.106 85 L CA -0.335 54.204 54.840 -0.502 0.000 0.856 85 L CB -0.649 41.327 42.059 -0.139 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.333 128.079 122.820 -0.123 0.000 2.271 86 A HA 0.634 4.954 4.320 0.000 0.000 0.317 86 A C -0.534 177.242 177.584 0.319 0.000 1.245 86 A CA -0.579 51.588 52.037 0.217 0.000 0.857 86 A CB 0.970 20.181 19.000 0.351 0.000 1.175 86 A HN 0.503 nan 8.150 nan 0.000 0.512 87 V N 4.094 124.194 119.914 0.309 0.000 2.218 87 V HA 0.334 4.454 4.120 0.000 0.000 0.261 87 V C 1.333 177.535 176.094 0.181 0.000 1.142 87 V CA -0.034 62.474 62.300 0.347 0.000 0.965 87 V CB 0.008 32.073 31.823 0.403 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.158 111.998 108.800 0.067 0.000 3.026 88 G HA2 -0.059 3.901 3.960 0.000 0.000 0.232 88 G HA3 -0.059 3.901 3.960 0.000 0.000 0.232 88 G C 0.117 175.015 174.900 -0.003 0.000 1.241 88 G CA -0.214 44.883 45.100 -0.005 0.000 0.858 88 G HN 0.612 nan 8.290 nan 0.000 0.592 89 D N 0.356 120.735 120.400 -0.036 0.000 2.352 89 D HA -0.054 4.586 4.640 0.000 0.000 0.238 89 D C 0.812 177.043 176.300 -0.115 0.000 1.286 89 D CA 0.238 54.208 54.000 -0.050 0.000 0.923 89 D CB 0.232 40.995 40.800 -0.062 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.194 118.828 118.700 -0.110 0.000 2.666 90 N HA -0.240 4.500 4.740 0.000 0.000 0.248 90 N C -0.467 175.018 175.510 -0.043 0.000 1.118 90 N CA 1.116 54.077 53.050 -0.149 0.000 0.722 90 N CB -0.585 37.593 38.487 -0.515 0.000 1.050 90 N HN 0.431 nan 8.380 nan 0.000 0.550 91 R N -0.698 119.827 120.500 0.042 0.000 2.808 91 R HA 0.726 5.066 4.340 0.000 0.000 0.272 91 R C -0.385 176.043 176.300 0.212 0.000 0.995 91 R CA -0.916 55.279 56.100 0.158 0.000 0.917 91 R CB 2.346 32.721 30.300 0.125 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.593 119.488 119.914 0.279 0.000 2.925 92 V HA 0.717 4.837 4.120 0.000 0.000 0.311 92 V C -1.438 174.766 176.094 0.183 0.000 1.104 92 V CA -1.059 61.357 62.300 0.194 0.000 0.954 92 V CB 2.001 33.892 31.823 0.112 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.385 123.620 121.223 0.019 0.000 2.381 93 L HA 0.686 5.026 4.340 0.000 0.000 0.274 93 L C -0.698 176.061 176.870 -0.184 0.000 0.988 93 L CA 0.052 54.757 54.840 -0.224 0.000 0.824 93 L CB 1.642 43.464 42.059 -0.396 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.319 125.616 120.400 -0.172 0.000 2.347 94 D HA 0.116 4.756 4.640 0.000 0.000 0.235 94 D C 1.159 177.359 176.300 -0.167 0.000 1.149 94 D CA -0.352 53.576 54.000 -0.120 0.000 0.850 94 D CB 1.152 41.919 40.800 -0.056 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.912 122.395 119.600 -0.195 0.000 2.260 95 M HA -0.174 4.306 4.480 0.000 0.000 0.261 95 M C 1.889 178.087 176.300 -0.169 0.000 1.066 95 M CA 0.789 55.949 55.300 -0.234 0.000 1.082 95 M CB -1.182 31.251 32.600 -0.280 0.000 1.388 95 M HN 0.512 nan 8.290 nan 0.000 0.419 96 A N -0.117 122.637 122.820 -0.110 0.000 2.178 96 A HA -0.067 4.253 4.320 0.000 0.000 0.218 96 A C 2.109 179.709 177.584 0.028 0.000 1.157 96 A CA 1.701 53.709 52.037 -0.048 0.000 0.689 96 A CB -0.686 18.308 19.000 -0.010 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.619 115.084 115.700 0.004 0.000 2.597 97 S HA 0.179 4.649 4.470 0.000 0.000 0.224 97 S C 0.617 175.251 174.600 0.057 0.000 0.955 97 S CA 0.309 58.560 58.200 0.085 0.000 0.933 97 S CB -0.880 62.344 63.200 0.040 0.000 0.788 97 S HN 0.598 nan 8.310 nan 0.000 0.488 98 T N -0.148 114.387 114.554 -0.031 0.000 2.945 98 T HA 0.751 5.101 4.350 0.000 0.000 0.286 98 T C -0.745 173.928 174.700 -0.045 0.000 1.025 98 T CA -0.760 61.248 62.100 -0.154 0.000 1.039 98 T CB 1.196 69.914 68.868 -0.250 0.000 1.068 98 T HN 0.696 nan 8.240 nan 0.000 0.497 99 Y N -1.614 118.599 120.300 -0.145 0.000 2.662 99 Y HA 0.631 5.181 4.550 0.000 0.000 0.334 99 Y C -2.065 173.706 175.900 -0.215 0.000 1.185 99 Y CA -2.600 55.396 58.100 -0.173 0.000 1.074 99 Y CB 0.466 39.042 38.460 0.193 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.786 121.913 119.950 0.296 0.000 2.411 100 F HA 0.340 4.867 4.527 0.000 0.000 0.355 100 F C 0.074 176.034 175.800 0.267 0.000 1.117 100 F CA -0.240 57.860 58.000 0.167 0.000 1.139 100 F CB 1.104 40.171 39.000 0.113 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.806 125.495 120.400 0.482 0.000 2.317 101 D HA 0.474 5.114 4.640 0.000 0.000 0.234 101 D C -0.762 175.688 176.300 0.250 0.000 1.112 101 D CA -0.058 54.199 54.000 0.429 0.000 0.840 101 D CB 0.700 41.858 40.800 0.597 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.661 124.326 120.570 0.158 0.000 2.465 102 I HA 0.490 4.660 4.170 0.000 0.000 0.291 102 I C -0.196 175.955 176.117 0.058 0.000 1.014 102 I CA -0.963 60.349 61.300 0.020 0.000 1.093 102 I CB 1.870 39.786 38.000 -0.141 0.000 1.267 102 I HN 0.184 nan 8.210 nan 0.000 0.431 103 R N 3.651 124.079 120.500 -0.120 0.000 2.561 103 R HA 0.850 5.190 4.340 0.000 0.000 0.297 103 R C -0.273 175.754 176.300 -0.455 0.000 0.969 103 R CA -0.589 55.321 56.100 -0.316 0.000 0.879 103 R CB 2.249 32.355 30.300 -0.324 0.000 1.178 103 R HN 0.863 nan 8.270 nan 0.000 0.445 104 G N 0.420 108.630 108.800 -0.984 0.000 2.634 104 G HA2 0.510 4.470 3.960 0.000 0.000 0.309 104 G HA3 0.510 4.470 3.960 0.000 0.000 0.309 104 G C -1.727 172.671 174.900 -0.836 0.000 1.299 104 G CA -0.488 44.135 45.100 -0.795 0.000 0.798 104 G HN 0.317 nan 8.290 nan 0.000 0.490 105 V N 0.200 119.942 119.914 -0.287 0.000 2.604 105 V HA 0.754 4.874 4.120 0.000 0.000 0.305 105 V C -0.865 175.376 176.094 0.245 0.000 1.043 105 V CA -0.682 61.605 62.300 -0.021 0.000 0.888 105 V CB 1.570 33.378 31.823 -0.025 0.000 0.995 105 V HN 0.859 nan 8.190 nan 0.000 0.429 106 L N 3.211 124.612 121.223 0.296 0.000 2.386 106 L HA 0.807 5.147 4.340 0.000 0.000 0.271 106 L C -1.213 175.694 176.870 0.061 0.000 0.993 106 L CA 0.024 54.969 54.840 0.175 0.000 0.819 106 L CB 2.090 44.225 42.059 0.127 0.000 1.294 106 L HN 0.701 nan 8.230 nan 0.000 0.414 107 D N 2.963 123.358 120.400 -0.009 0.000 2.462 107 D HA 0.337 4.977 4.640 0.000 0.000 0.245 107 D C 0.449 176.648 176.300 -0.169 0.000 1.122 107 D CA -0.366 53.611 54.000 -0.037 0.000 0.864 107 D CB 1.459 42.305 40.800 0.078 0.000 1.098 107 D HN 0.611 nan 8.370 nan 0.000 0.541 108 R N 1.944 122.265 120.500 -0.298 0.000 2.316 108 R HA 0.302 4.642 4.340 0.000 0.000 0.202 108 R C 1.327 177.495 176.300 -0.219 0.000 1.029 108 R CA 0.621 56.514 56.100 -0.346 0.000 1.018 108 R CB -0.128 29.773 30.300 -0.664 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.405 109.088 108.800 -0.195 0.000 2.796 109 G HA2 -0.187 3.773 3.960 0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 0.000 0.000 0.571 109 G C -2.052 172.761 174.900 -0.145 0.000 1.370 109 G CA -0.400 44.616 45.100 -0.140 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.505 178.655 177.300 -0.251 0.000 1.191 110 P CA 1.965 64.979 63.100 -0.143 0.000 0.771 110 P CB 0.006 31.653 31.700 -0.088 0.000 0.929 111 T N -4.572 109.788 114.554 -0.322 0.000 3.129 111 T HA 0.061 4.411 4.350 0.000 0.000 0.251 111 T C 0.308 174.630 174.700 -0.631 0.000 1.117 111 T CA -0.523 61.149 62.100 -0.712 0.000 1.034 111 T CB -0.966 67.522 68.868 -0.633 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.803 122.474 119.950 -0.465 0.000 2.472 112 F HA 0.507 5.034 4.527 0.000 0.000 0.364 112 F C 0.241 175.798 175.800 -0.406 0.000 1.090 112 F CA -1.270 56.503 58.000 -0.378 0.000 1.188 112 F CB 0.516 39.348 39.000 -0.280 0.000 1.105 112 F HN 0.023 nan 8.300 nan 0.000 0.536 113 K N 9.203 128.986 120.400 -1.028 0.000 2.723 113 K HA 0.328 4.648 4.320 0.000 0.000 0.229 113 K C -2.621 173.229 176.600 -1.250 0.000 1.022 113 K CA -1.699 53.924 56.287 -1.106 0.000 1.045 113 K CB 1.348 33.370 32.500 -0.798 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.001 nan 4.420 nan 0.000 0.269 114 P C -1.425 175.658 177.300 -0.360 0.000 1.601 114 P CA 0.199 62.773 63.100 -0.875 0.000 0.831 114 P CB -0.703 30.794 31.700 -0.338 0.000 1.688 115 Y N -5.023 114.973 120.300 -0.507 0.000 2.717 115 Y HA 0.496 5.046 4.550 0.000 0.000 0.345 115 Y C -1.183 174.602 175.900 -0.193 0.000 1.187 115 Y CA -1.338 56.636 58.100 -0.210 0.000 1.128 115 Y CB -0.212 38.168 38.460 -0.134 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.222 116.998 115.700 0.126 0.000 2.617 116 S HA 0.808 5.278 4.470 0.000 0.000 0.283 116 S C 0.416 175.121 174.600 0.175 0.000 1.189 116 S CA 0.114 58.338 58.200 0.039 0.000 1.036 116 S CB 1.008 64.220 63.200 0.019 0.000 1.014 116 S HN 1.872 nan 8.310 nan 0.000 0.522 117 G N 1.119 109.993 108.800 0.123 0.000 2.568 117 G HA2 -0.079 3.881 3.960 0.000 0.000 0.222 117 G HA3 -0.079 3.881 3.960 0.000 0.000 0.222 117 G C -0.268 174.732 174.900 0.168 0.000 1.321 117 G CA -0.129 45.072 45.100 0.168 0.000 0.893 117 G HN 0.966 nan 8.290 nan 0.000 0.569 118 T N -1.393 113.190 114.554 0.047 0.000 2.916 118 T HA 0.758 5.108 4.350 0.000 0.000 0.292 118 T C 1.088 175.636 174.700 -0.253 0.000 1.055 118 T CA 0.754 62.803 62.100 -0.085 0.000 1.009 118 T CB 1.532 70.181 68.868 -0.365 0.000 1.118 118 T HN 2.065 nan 8.240 nan 0.000 0.497 119 A N 2.112 124.643 122.820 -0.482 0.000 2.238 119 A HA 0.380 4.700 4.320 0.000 0.000 0.210 119 A C -0.414 176.651 177.584 -0.865 0.000 1.179 119 A CA 0.234 51.792 52.037 -0.798 0.000 0.827 119 A CB -0.188 18.152 19.000 -1.101 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.070 120.285 120.300 -0.142 0.000 2.326 120 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 120 Y C 0.090 175.909 175.900 -0.136 0.000 0.962 120 Y CA -1.183 56.861 58.100 -0.093 0.000 1.167 120 Y CB 0.819 39.265 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.096 119.841 118.700 0.075 0.000 2.725 121 N HA -0.232 4.508 4.740 0.000 0.000 0.251 121 N C 0.858 176.406 175.510 0.064 0.000 1.031 121 N CA 0.772 53.867 53.050 0.076 0.000 0.720 121 N CB -0.739 37.816 38.487 0.114 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.235 122.595 122.820 0.017 0.000 2.019 122 A HA -0.030 4.290 4.320 0.000 0.000 0.219 122 A C 2.162 179.910 177.584 0.274 0.000 1.164 122 A CA 0.953 53.065 52.037 0.125 0.000 0.644 122 A CB -0.075 18.956 19.000 0.052 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.746 120.579 121.223 0.171 0.000 2.554 123 L HA 0.145 4.485 4.340 0.000 0.000 0.226 123 L C 1.346 178.305 176.870 0.148 0.000 1.137 123 L CA -0.020 54.905 54.840 0.141 0.000 0.863 123 L CB -0.415 41.701 42.059 0.095 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.797 123.738 122.820 0.202 0.000 2.440 124 A HA 0.397 4.717 4.320 0.000 0.000 0.251 124 A C -2.169 175.497 177.584 0.136 0.000 1.089 124 A CA -1.150 50.992 52.037 0.174 0.000 0.779 124 A CB -0.351 18.770 19.000 0.201 0.000 1.022 124 A HN -0.052 nan 8.150 nan 0.000 0.492 125 P HA 0.011 nan 4.420 nan 0.000 0.262 125 P C 0.289 177.568 177.300 -0.035 0.000 1.182 125 P CA 0.258 63.360 63.100 0.003 0.000 0.761 125 P CB 0.407 32.121 31.700 0.023 0.000 0.795 126 K N 1.985 122.280 120.400 -0.175 0.000 2.589 126 K HA -0.070 4.250 4.320 0.000 0.000 0.195 126 K C 1.623 178.167 176.600 -0.093 0.000 1.040 126 K CA 1.256 57.387 56.287 -0.261 0.000 0.950 126 K CB -0.340 31.904 32.500 -0.428 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.206 108.981 108.800 -0.041 0.000 2.944 127 G HA2 0.196 4.156 3.960 0.000 0.000 0.223 127 G HA3 0.196 4.156 3.960 0.000 0.000 0.223 127 G C 0.131 175.044 174.900 0.021 0.000 1.071 127 G CA -0.115 44.979 45.100 -0.010 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.095 124.943 122.820 0.048 0.000 2.520 128 A HA 0.570 4.890 4.320 0.000 0.000 0.245 128 A C -1.939 175.708 177.584 0.106 0.000 1.072 128 A CA -0.660 51.430 52.037 0.088 0.000 0.761 128 A CB 0.367 19.431 19.000 0.107 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.238 nan 4.420 nan 0.000 0.283 129 P C -0.796 176.609 177.300 0.174 0.000 1.278 129 P CA -0.875 62.299 63.100 0.124 0.000 0.834 129 P CB 0.986 32.734 31.700 0.079 0.000 1.150 130 N N 0.597 119.384 118.700 0.145 0.000 2.513 130 N HA 0.247 4.987 4.740 0.000 0.000 0.274 130 N C -2.222 173.392 175.510 0.173 0.000 1.189 130 N CA -1.364 51.766 53.050 0.134 0.000 0.975 130 N CB -0.582 37.963 38.487 0.097 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.000 nan 4.420 nan 0.000 0.260 131 P C -0.284 177.118 177.300 0.169 0.000 1.185 131 P CA 0.081 63.254 63.100 0.121 0.000 0.763 131 P CB 0.196 31.918 31.700 0.037 0.000 0.776 132 C N 1.836 121.297 119.300 0.269 0.000 3.307 132 C HA 0.773 5.233 4.460 0.000 0.000 0.350 132 C C -0.932 174.273 174.990 0.357 0.000 1.549 132 C CA -0.801 58.384 59.018 0.279 0.000 1.396 132 C CB 1.829 29.735 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.751 119.662 120.200 0.354 0.000 2.383 133 E HA 0.667 5.017 4.350 0.000 0.000 0.275 133 E C -1.670 175.185 176.600 0.426 0.000 0.918 133 E CA -0.217 56.357 56.400 0.290 0.000 0.764 133 E CB 2.404 32.170 29.700 0.111 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.390 121.755 121.300 0.109 0.000 2.923 134 W HA 0.582 5.242 4.660 0.000 0.000 0.373 134 W C -1.569 175.029 176.519 0.131 0.000 1.205 134 W CA -0.596 56.800 57.345 0.085 0.000 1.180 134 W CB 0.466 29.951 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.197 118.843 119.070 -0.708 0.000 2.573 166 H HA 0.842 5.398 4.556 0.000 0.000 0.351 166 H C -0.411 174.440 175.328 -0.796 0.000 1.163 166 H CA -0.738 54.803 56.048 -0.845 0.000 1.205 166 H CB 1.450 30.430 29.762 -1.304 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.342 122.062 119.914 -0.324 0.000 2.656 167 V HA 0.295 4.415 4.120 0.000 0.000 0.307 167 V C -1.227 174.919 176.094 0.086 0.000 1.051 167 V CA -0.794 61.432 62.300 -0.123 0.000 0.893 167 V CB 1.756 33.466 31.823 -0.189 0.000 0.999 167 V HN 0.639 nan 8.190 nan 0.000 0.426 168 F N 3.653 123.668 119.950 0.109 0.000 2.577 168 F HA 0.850 5.377 4.527 0.000 0.000 0.344 168 F C 0.200 176.050 175.800 0.084 0.000 1.145 168 F CA -0.105 57.990 58.000 0.158 0.000 0.996 168 F CB 1.314 40.512 39.000 0.329 0.000 1.248 168 F HN 0.645 nan 8.300 nan 0.000 0.447 169 G N 4.075 112.623 108.800 -0.420 0.000 2.911 169 G HA2 0.526 4.486 3.960 0.000 0.000 0.299 169 G HA3 0.526 4.486 3.960 0.000 0.000 0.299 169 G C -2.108 172.578 174.900 -0.355 0.000 1.283 169 G CA -0.769 44.140 45.100 -0.319 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.163 118.524 119.800 -0.189 0.000 2.309 170 Q HA 0.609 4.949 4.340 0.000 0.000 0.273 170 Q C -1.723 174.246 176.000 -0.052 0.000 1.040 170 Q CA -0.937 54.787 55.803 -0.131 0.000 0.834 170 Q CB 2.143 30.817 28.738 -0.107 0.000 1.345 170 Q HN 1.071 nan 8.270 nan 0.000 0.414 171 A N 4.690 127.493 122.820 -0.028 0.000 2.431 171 A HA 0.511 4.831 4.320 0.000 0.000 0.318 171 A C -2.252 175.356 177.584 0.039 0.000 1.330 171 A CA -1.211 50.843 52.037 0.028 0.000 0.804 171 A CB 0.764 19.788 19.000 0.040 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.004 nan 4.420 nan 0.000 0.238 172 P C 0.015 177.366 177.300 0.085 0.000 1.183 172 P CA 0.452 63.588 63.100 0.059 0.000 0.813 172 P CB 0.116 31.853 31.700 0.061 0.000 0.944 173 Y N 1.545 121.848 120.300 0.006 0.000 2.335 173 Y HA 0.366 4.916 4.550 0.000 0.000 0.331 173 Y C 0.287 176.200 175.900 0.022 0.000 1.094 173 Y CA -0.398 57.705 58.100 0.005 0.000 1.253 173 Y CB 0.722 39.176 38.460 -0.010 0.000 1.203 173 Y HN -0.212 nan 8.280 nan 0.000 0.508 174 S N 5.103 120.399 115.700 -0.673 0.000 2.420 174 S HA 0.674 5.144 4.470 0.000 0.000 0.313 174 S C 0.022 174.258 174.600 -0.607 0.000 1.079 174 S CA -0.219 57.723 58.200 -0.431 0.000 1.104 174 S CB -0.310 62.731 63.200 -0.265 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.530 112.209 108.800 -0.202 0.000 2.552 175 G HA2 0.512 4.472 3.960 0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 0.000 0.000 0.318 175 G C 0.823 175.697 174.900 -0.043 0.000 1.240 175 G CA -0.811 44.266 45.100 -0.039 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.545 119.980 120.570 -0.075 0.000 2.193 176 I HA 0.008 4.178 4.170 0.000 0.000 0.240 176 I C 0.980 176.850 176.117 -0.412 0.000 1.084 176 I CA 1.066 62.264 61.300 -0.170 0.000 1.365 176 I CB 0.063 37.977 38.000 -0.143 0.000 1.064 176 I HN 0.458 nan 8.210 nan 0.000 0.410 177 N N -0.976 117.511 118.700 -0.355 0.000 2.825 177 N HA 0.483 5.223 4.740 0.000 0.000 0.253 177 N C -1.571 173.932 175.510 -0.012 0.000 1.426 177 N CA -0.591 52.150 53.050 -0.516 0.000 0.851 177 N CB 1.673 39.972 38.487 -0.314 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.252 121.955 120.570 0.222 0.000 2.447 178 I HA 0.423 4.593 4.170 0.000 0.000 0.287 178 I C -0.163 176.120 176.117 0.277 0.000 1.023 178 I CA -0.514 60.984 61.300 0.329 0.000 1.083 178 I CB 1.822 40.058 38.000 0.393 0.000 1.245 178 I HN 0.713 nan 8.210 nan 0.000 0.434 179 T N 1.100 115.840 114.554 0.310 0.000 2.742 179 T HA 0.360 4.710 4.350 0.000 0.000 0.282 179 T C 0.626 175.386 174.700 0.100 0.000 1.025 179 T CA -0.728 61.470 62.100 0.164 0.000 1.020 179 T CB 1.749 70.729 68.868 0.187 0.000 1.317 179 T HN 0.384 nan 8.240 nan 0.000 0.538 180 K N 0.381 120.734 120.400 -0.079 0.000 2.442 180 K HA 0.002 4.322 4.320 0.000 0.000 0.198 180 K C 1.676 178.279 176.600 0.006 0.000 1.044 180 K CA 1.238 57.448 56.287 -0.128 0.000 0.948 180 K CB -0.380 32.014 32.500 -0.177 0.000 0.762 180 K HN 0.564 nan 8.250 nan 0.000 0.472 181 E N -0.288 119.826 120.200 -0.143 0.000 2.435 181 E HA 0.100 4.450 4.350 0.000 0.000 0.195 181 E C 0.888 177.348 176.600 -0.234 0.000 1.029 181 E CA 0.765 56.889 56.400 -0.460 0.000 0.865 181 E CB 0.229 29.062 29.700 -1.445 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.677 110.555 108.800 0.129 0.000 2.384 182 G HA2 -0.191 3.769 3.960 0.000 0.000 0.204 182 G HA3 -0.191 3.769 3.960 0.000 0.000 0.204 182 G C -0.283 174.883 174.900 0.444 0.000 1.237 182 G CA -0.422 44.825 45.100 0.245 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.409 119.419 120.570 0.430 0.000 2.474 183 I HA 0.654 4.824 4.170 0.000 0.000 0.287 183 I C 0.271 176.556 176.117 0.281 0.000 1.048 183 I CA -0.508 61.006 61.300 0.356 0.000 1.383 183 I CB 1.397 39.596 38.000 0.331 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.169 126.027 119.800 0.096 0.000 2.296 184 Q HA 0.344 4.684 4.340 0.000 0.000 0.257 184 Q C 0.538 176.517 176.000 -0.035 0.000 0.942 184 Q CA -0.553 55.139 55.803 -0.186 0.000 0.939 184 Q CB 1.437 29.970 28.738 -0.342 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.558 121.104 120.570 -0.040 0.000 3.793 185 I HA 0.474 4.644 4.170 0.000 0.000 0.315 185 I C 0.631 176.751 176.117 0.005 0.000 1.275 185 I CA 0.208 61.541 61.300 0.054 0.000 1.214 185 I CB 0.243 38.239 38.000 -0.007 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.371 110.126 108.800 -0.075 0.000 2.398 186 G HA2 0.358 4.318 3.960 0.000 0.000 0.251 186 G HA3 0.358 4.318 3.960 0.000 0.000 0.251 186 G C -1.158 173.676 174.900 -0.111 0.000 1.277 186 G CA 0.045 45.103 45.100 -0.071 0.000 0.927 186 G HN 0.722 nan 8.290 nan 0.000 0.477 187 V N -3.423 116.448 119.914 -0.071 0.000 2.766 187 V HA 0.592 4.712 4.120 0.000 0.000 0.286 187 V C -0.646 175.429 176.094 -0.032 0.000 1.237 187 V CA -0.815 61.446 62.300 -0.065 0.000 0.934 187 V CB 1.288 33.069 31.823 -0.070 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.826 124.015 120.200 -0.018 0.000 1.833 188 E HA 0.397 4.747 4.350 0.000 0.000 0.258 188 E C 1.330 177.928 176.600 -0.003 0.000 1.257 188 E CA 0.994 57.391 56.400 -0.004 0.000 1.003 188 E CB 0.375 30.078 29.700 0.006 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.836 112.632 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 0.000 0.000 0.304 189 G C 0.880 175.776 174.900 -0.007 0.000 1.366 189 G CA 0.417 45.515 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.327 120.125 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 0.000 0.000 0.229 190 Q C 0.713 176.711 176.000 -0.003 0.000 0.882 190 Q CA 0.799 56.600 55.803 -0.003 0.000 0.936 190 Q CB 0.788 29.527 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.546 117.100 114.554 0.001 0.000 2.899 191 T HA 0.314 4.664 4.350 0.000 0.000 0.284 191 T C -2.542 172.147 174.700 -0.018 0.000 1.004 191 T CA -1.392 60.712 62.100 0.007 0.000 1.043 191 T CB 1.244 70.126 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.390 nan 4.420 nan 0.000 0.301 192 P C -0.856 176.334 177.300 -0.183 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.140 0.000 0.826 192 P CB 0.722 32.313 31.700 -0.182 0.000 0.945 193 K N 3.358 123.644 120.400 -0.192 0.000 2.234 193 K HA 0.348 4.668 4.320 0.000 0.000 0.282 193 K C -0.318 176.137 176.600 -0.241 0.000 1.039 193 K CA -0.290 55.927 56.287 -0.117 0.000 0.928 193 K CB 0.179 32.646 32.500 -0.055 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.085 120.220 120.300 0.008 0.000 2.487 194 Y HA 0.455 5.005 4.550 0.000 0.000 0.337 194 Y C 0.656 176.532 175.900 -0.039 0.000 1.076 194 Y CA -1.103 57.004 58.100 0.012 0.000 1.115 194 Y CB 1.547 40.029 38.460 0.037 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.499 124.377 122.820 0.097 0.000 2.498 195 A HA 0.051 4.371 4.320 0.000 0.000 0.239 195 A C -0.145 177.351 177.584 -0.147 0.000 1.068 195 A CA -0.289 51.664 52.037 -0.139 0.000 0.766 195 A CB -0.062 18.768 19.000 -0.282 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.050 122.251 120.400 -0.332 0.000 2.352 196 D HA 0.097 4.737 4.640 0.000 0.000 0.245 196 D C 1.020 177.136 176.300 -0.306 0.000 1.224 196 D CA -0.006 53.842 54.000 -0.254 0.000 0.879 196 D CB 0.487 41.132 40.800 -0.258 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.294 121.644 120.400 -0.084 0.000 2.127 197 K HA -0.238 4.082 4.320 0.000 0.000 0.212 197 K C 1.903 178.482 176.600 -0.036 0.000 1.050 197 K CA 2.088 58.384 56.287 0.016 0.000 0.929 197 K CB -0.254 32.345 32.500 0.167 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.078 113.487 114.554 0.018 0.000 2.881 198 T HA -0.168 4.182 4.350 0.000 0.000 0.270 198 T C 1.488 176.284 174.700 0.160 0.000 1.068 198 T CA 1.363 63.525 62.100 0.102 0.000 1.131 198 T CB -0.310 68.659 68.868 0.168 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.908 118.982 119.950 -0.099 0.000 3.031 199 F HA 0.528 5.055 4.527 0.000 0.000 0.365 199 F C -0.116 175.573 175.800 -0.184 0.000 1.128 199 F CA -1.201 56.730 58.000 -0.115 0.000 1.068 199 F CB 0.341 39.292 39.000 -0.081 0.000 1.280 199 F HN 0.015 nan 8.300 nan 0.000 0.529 200 Q N 3.852 123.160 119.800 -0.820 0.000 2.342 200 Q HA 0.470 4.810 4.340 0.000 0.000 0.267 200 Q C -2.666 172.805 176.000 -0.883 0.000 1.038 200 Q CA -2.346 52.965 55.803 -0.820 0.000 0.832 200 Q CB 2.519 30.678 28.738 -0.964 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.027 nan 4.420 nan 0.000 0.274 201 P C -0.971 176.138 177.300 -0.318 0.000 1.256 201 P CA -0.231 62.535 63.100 -0.557 0.000 0.795 201 P CB 0.855 32.276 31.700 -0.465 0.000 1.038 202 E N 1.352 121.425 120.200 -0.211 0.000 2.174 202 E HA 0.176 4.526 4.350 0.000 0.000 0.282 202 E C -1.717 174.872 176.600 -0.017 0.000 0.992 202 E CA -1.790 54.575 56.400 -0.058 0.000 0.803 202 E CB 0.585 30.294 29.700 0.015 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.276 nan 4.420 nan 0.000 0.217 203 P C 0.857 178.182 177.300 0.042 0.000 1.148 203 P CA 1.503 64.619 63.100 0.025 0.000 0.834 203 P CB 0.164 31.881 31.700 0.028 0.000 0.783 204 Q N -1.009 118.818 119.800 0.044 0.000 2.224 204 Q HA -0.017 4.323 4.340 0.000 0.000 0.203 204 Q C 0.723 176.760 176.000 0.060 0.000 0.970 204 Q CA 0.676 56.510 55.803 0.052 0.000 0.865 204 Q CB -0.530 28.238 28.738 0.050 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.821 121.433 120.570 0.071 0.000 2.428 205 I HA 0.535 4.705 4.170 0.000 0.000 0.296 205 I C 0.363 176.555 176.117 0.126 0.000 0.985 205 I CA -0.560 60.803 61.300 0.105 0.000 1.260 205 I CB 1.612 39.697 38.000 0.142 0.000 1.389 205 I HN 0.125 nan 8.210 nan 0.000 0.484 206 G N 3.926 112.784 108.800 0.095 0.000 2.663 206 G HA2 0.336 4.296 3.960 0.000 0.000 0.299 206 G HA3 0.336 4.296 3.960 0.000 0.000 0.299 206 G C -1.346 173.559 174.900 0.009 0.000 1.372 206 G CA -0.653 44.482 45.100 0.058 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N -0.049 120.134 120.200 -0.029 0.000 2.415 207 E HA 0.139 4.489 4.350 0.000 0.000 0.262 207 E C 1.310 177.876 176.600 -0.056 0.000 1.038 207 E CA 0.598 56.958 56.400 -0.067 0.000 0.921 207 E CB 1.307 30.953 29.700 -0.091 0.000 0.950 207 E HN 0.488 nan 8.360 nan 0.000 0.438 208 S N 2.312 117.967 115.700 -0.076 0.000 2.406 208 S HA -0.119 4.351 4.470 0.000 0.000 0.224 208 S C 0.636 175.180 174.600 -0.093 0.000 1.030 208 S CA 0.042 58.207 58.200 -0.059 0.000 0.958 208 S CB 0.069 63.240 63.200 -0.047 0.000 0.811 208 S HN 0.427 nan 8.310 nan 0.000 0.489 209 Q N 1.432 121.099 119.800 -0.223 0.000 2.317 209 Q HA 0.307 4.647 4.340 0.000 0.000 0.229 209 Q C 1.053 176.833 176.000 -0.367 0.000 0.984 209 Q CA -0.649 54.909 55.803 -0.407 0.000 0.911 209 Q CB -0.016 28.181 28.738 -0.902 0.000 1.217 209 Q HN 0.655 nan 8.270 nan 0.000 0.501 210 W N 0.346 121.456 121.300 -0.317 0.000 2.576 210 W HA 0.063 4.723 4.660 0.000 0.000 0.270 210 W C -0.279 176.177 176.519 -0.105 0.000 1.255 210 W CA -0.324 56.932 57.345 -0.147 0.000 1.314 210 W CB -0.562 28.878 29.460 -0.033 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.558 121.368 120.300 -0.818 0.000 2.304 211 Y HA 0.508 5.058 4.550 0.000 0.000 0.327 211 Y C 0.172 175.893 175.900 -0.299 0.000 1.209 211 Y CA -2.177 55.526 58.100 -0.662 0.000 1.299 211 Y CB 0.030 37.815 38.460 -1.125 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.488 121.724 120.200 0.060 0.000 2.351 212 E HA 0.027 4.377 4.350 0.000 0.000 0.266 212 E C -0.003 176.652 176.600 0.091 0.000 1.031 212 E CA 0.166 56.592 56.400 0.043 0.000 0.911 212 E CB 0.802 30.525 29.700 0.039 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.185 117.773 114.554 0.057 0.000 3.069 213 T HA -0.009 4.341 4.350 0.000 0.000 0.252 213 T C -0.620 174.090 174.700 0.017 0.000 1.053 213 T CA -0.025 62.115 62.100 0.067 0.000 0.964 213 T CB 0.015 68.919 68.868 0.060 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.149 121.352 120.200 0.004 0.000 5.234 214 E HA -0.123 4.227 4.350 0.000 0.000 0.170 214 E C -0.880 175.714 176.600 -0.009 0.000 1.556 214 E CA -0.053 56.344 56.400 -0.005 0.000 1.185 214 E CB -1.088 28.609 29.700 -0.005 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.033 123.594 120.570 -0.016 0.000 2.416 215 I HA 0.050 4.220 4.170 0.000 0.000 0.288 215 I C 1.536 177.639 176.117 -0.023 0.000 1.051 215 I CA -0.269 61.022 61.300 -0.015 0.000 1.375 215 I CB 0.596 38.581 38.000 -0.025 0.000 1.407 215 I HN 0.416 nan 8.210 nan 0.000 0.516 216 N N 3.506 122.195 118.700 -0.018 0.000 2.402 216 N HA 0.009 4.749 4.740 0.000 0.000 0.174 216 N C -0.131 175.162 175.510 -0.361 0.000 1.027 216 N CA 0.765 53.722 53.050 -0.156 0.000 0.891 216 N CB 0.248 38.654 38.487 -0.136 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.085 118.998 119.070 0.022 0.000 2.736 217 H HA 0.586 5.142 4.556 0.000 0.000 0.271 217 H C -0.577 174.782 175.328 0.052 0.000 1.184 217 H CA -0.523 55.556 56.048 0.053 0.000 1.378 217 H CB 1.062 30.858 29.762 0.055 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.133 125.029 122.820 0.127 0.000 2.311 218 A HA 0.937 5.257 4.320 0.000 0.000 0.334 218 A C -0.425 177.267 177.584 0.181 0.000 1.139 218 A CA -0.225 51.885 52.037 0.120 0.000 0.830 218 A CB 0.928 19.966 19.000 0.064 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.248 122.703 122.820 0.217 0.000 2.527 219 A HA 0.991 5.311 4.320 0.000 0.000 0.293 219 A C -0.090 177.605 177.584 0.185 0.000 1.117 219 A CA -0.115 52.068 52.037 0.244 0.000 0.723 219 A CB 1.633 20.818 19.000 0.308 0.000 1.313 219 A HN 2.429 nan 8.150 nan 0.000 0.411 220 G N -0.244 108.659 108.800 0.172 0.000 2.495 220 G HA2 0.581 4.541 3.960 0.000 0.000 0.294 220 G HA3 0.581 4.541 3.960 0.000 0.000 0.294 220 G C -1.682 173.291 174.900 0.121 0.000 1.397 220 G CA -0.887 44.275 45.100 0.103 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.089 119.453 120.500 0.070 0.000 2.711 221 R HA 0.807 5.147 4.340 0.000 0.000 0.284 221 R C -1.161 175.180 176.300 0.068 0.000 0.968 221 R CA -0.848 55.301 56.100 0.082 0.000 0.924 221 R CB 2.516 32.839 30.300 0.037 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.202 123.164 119.914 0.080 0.000 3.159 222 V HA 0.505 4.625 4.120 0.000 0.000 0.308 222 V C -1.442 174.697 176.094 0.074 0.000 1.190 222 V CA -0.978 61.364 62.300 0.071 0.000 1.037 222 V CB 2.550 34.414 31.823 0.068 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.127 125.399 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 0.000 0.000 0.288 223 L C 0.298 177.220 176.870 0.088 0.000 1.033 223 L CA -0.590 54.297 54.840 0.077 0.000 0.807 223 L CB 1.393 43.498 42.059 0.077 0.000 1.209 223 L HN 0.602 nan 8.230 nan 0.000 0.423 224 K N 1.975 122.417 120.400 0.070 0.000 2.336 224 K HA -0.019 4.301 4.320 0.000 0.000 0.262 224 K C 1.031 177.682 176.600 0.085 0.000 0.992 224 K CA -0.109 56.219 56.287 0.068 0.000 0.927 224 K CB 0.672 33.201 32.500 0.048 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.238 120.217 120.400 0.091 0.000 2.442 225 K HA -0.111 4.209 4.320 0.000 0.000 0.198 225 K C 1.138 177.792 176.600 0.090 0.000 1.044 225 K CA 1.677 58.033 56.287 0.116 0.000 0.948 225 K CB -0.223 32.346 32.500 0.115 0.000 0.762 225 K HN 0.619 nan 8.250 nan 0.000 0.472 226 T N -1.878 112.714 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 0.000 0.000 0.263 226 T C 0.667 175.394 174.700 0.044 0.000 1.127 226 T CA 0.196 62.325 62.100 0.049 0.000 1.103 226 T CB -0.123 68.766 68.868 0.036 0.000 0.921 226 T HN 0.044 nan 8.240 nan 0.000 0.510 227 T N 5.153 119.737 114.554 0.051 0.000 2.744 227 T HA 0.392 4.742 4.350 0.000 0.000 0.291 227 T C -2.540 172.190 174.700 0.049 0.000 0.957 227 T CA -1.372 60.753 62.100 0.041 0.000 1.002 227 T CB 1.363 70.253 68.868 0.037 0.000 0.919 227 T HN 0.194 nan 8.240 nan 0.000 0.468 228 P HA 0.054 nan 4.420 nan 0.000 0.266 228 P C -0.314 177.007 177.300 0.036 0.000 1.195 228 P CA -0.267 62.854 63.100 0.034 0.000 0.768 228 P CB 0.614 32.328 31.700 0.022 0.000 0.838 229 M N 3.143 122.762 119.600 0.032 0.000 2.217 229 M HA 0.133 4.613 4.480 0.000 0.000 0.354 229 M C 0.210 176.520 176.300 0.015 0.000 1.225 229 M CA 0.630 55.947 55.300 0.028 0.000 1.137 229 M CB 0.275 32.875 32.600 -0.001 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.499 124.917 120.400 0.030 0.000 2.527 230 K HA 0.527 4.847 4.320 0.000 0.000 0.260 230 K C -2.750 173.882 176.600 0.054 0.000 0.937 230 K CA -1.801 54.507 56.287 0.034 0.000 0.826 230 K CB 1.696 34.220 32.500 0.039 0.000 1.359 230 K HN 0.297 nan 8.250 nan 0.000 0.434 231 P HA 0.029 nan 4.420 nan 0.000 0.268 231 P C 0.921 178.294 177.300 0.122 0.000 1.208 231 P CA -0.158 62.997 63.100 0.091 0.000 0.777 231 P CB 0.599 32.360 31.700 0.102 0.000 0.875 232 C N 3.333 122.715 119.300 0.137 0.000 2.413 232 C HA -0.165 4.295 4.460 0.000 0.000 0.276 232 C C 1.380 176.476 174.990 0.175 0.000 1.236 232 C CA 0.446 59.549 59.018 0.141 0.000 1.735 232 C CB -1.578 26.247 27.740 0.142 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.207 121.551 120.300 0.073 0.000 2.745 233 Y HA 0.367 4.917 4.550 0.000 0.000 0.335 233 Y C 1.220 177.180 175.900 0.101 0.000 1.212 233 Y CA 1.298 59.446 58.100 0.081 0.000 1.535 233 Y CB -0.055 38.435 38.460 0.051 0.000 1.220 233 Y HN 0.661 nan 8.280 nan 0.000 0.531 234 G N 3.017 111.690 108.800 -0.212 0.000 2.195 234 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 234 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 234 G C 0.235 175.196 174.900 0.100 0.000 0.984 234 G CA 0.142 45.210 45.100 -0.053 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.227 115.977 115.700 0.084 0.000 2.531 235 S HA 0.557 5.027 4.470 0.000 0.000 0.279 235 S C -0.478 174.109 174.600 -0.022 0.000 1.305 235 S CA 0.070 58.295 58.200 0.043 0.000 1.058 235 S CB 0.998 64.227 63.200 0.048 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.414 121.545 120.300 -0.282 0.000 2.534 236 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 236 Y C -1.099 174.654 175.900 -0.245 0.000 1.031 236 Y CA -0.994 56.828 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.262 38.460 -1.002 0.000 1.292 236 Y HN 0.667 nan 8.280 nan 0.000 0.459 237 A N 5.690 127.806 122.820 -1.174 0.000 2.485 237 A HA 0.479 4.799 4.320 0.000 0.000 0.285 237 A C -1.459 175.550 177.584 -0.958 0.000 1.045 237 A CA -1.000 50.534 52.037 -0.838 0.000 0.792 237 A CB 0.678 19.458 19.000 -0.367 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.308 123.246 120.400 -0.770 0.000 2.485 238 K HA 0.358 4.678 4.320 0.000 0.000 0.277 238 K C -2.361 174.124 176.600 -0.191 0.000 0.990 238 K CA -0.640 55.438 56.287 -0.350 0.000 0.994 238 K CB 0.323 32.773 32.500 -0.085 0.000 0.906 238 K HN 0.355 nan 8.250 nan 0.000 0.488 239 P HA 0.014 nan 4.420 nan 0.000 0.278 239 P C -0.116 177.162 177.300 -0.036 0.000 1.238 239 P CA -0.414 62.652 63.100 -0.057 0.000 0.794 239 P CB 1.314 32.999 31.700 -0.025 0.000 0.955 240 T N -1.753 112.784 114.554 -0.028 0.000 3.092 240 T HA 0.197 4.547 4.350 0.000 0.000 0.258 240 T C 0.226 174.918 174.700 -0.013 0.000 1.031 240 T CA -0.313 61.777 62.100 -0.017 0.000 0.925 240 T CB -0.753 68.108 68.868 -0.011 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.695 117.990 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 0.000 0.000 0.269 241 N C 0.171 175.634 175.510 -0.078 0.000 1.237 241 N CA -0.993 52.032 53.050 -0.041 0.000 0.838 241 N CB 1.270 39.739 38.487 -0.030 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.167 119.976 120.200 -0.096 0.000 2.396 242 E HA -0.172 4.178 4.350 0.000 0.000 0.200 242 E C -0.054 176.434 176.600 -0.187 0.000 1.023 242 E CA 0.959 57.291 56.400 -0.114 0.000 0.857 242 E CB -0.097 29.541 29.700 -0.102 0.000 0.775 242 E HN 0.488 nan 8.360 nan 0.000 0.525 243 N N -0.609 117.914 118.700 -0.296 0.000 2.270 243 N HA 0.039 4.779 4.740 0.000 0.000 0.198 243 N C 0.850 176.205 175.510 -0.258 0.000 1.117 243 N CA 0.831 53.581 53.050 -0.500 0.000 0.845 243 N CB 1.256 38.940 38.487 -1.339 0.000 0.980 243 N HN 0.320 nan 8.380 nan 0.000 0.486 244 G N -0.030 108.698 108.800 -0.119 0.000 2.175 244 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 244 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 244 G C 0.502 175.406 174.900 0.006 0.000 0.982 244 G CA -0.079 45.000 45.100 -0.034 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.073 108.746 108.800 0.032 0.000 2.544 245 G HA2 0.528 4.488 3.960 0.000 0.000 0.242 245 G HA3 0.528 4.488 3.960 0.000 0.000 0.242 245 G C 0.601 175.504 174.900 0.005 0.000 1.247 245 G CA 0.520 45.654 45.100 0.056 0.000 0.840 245 G HN 1.157 nan 8.290 nan 0.000 0.578 246 Q N 1.393 121.188 119.800 -0.009 0.000 2.233 246 Q HA 0.312 4.652 4.340 0.000 0.000 0.340 246 Q C 1.199 177.183 176.000 -0.027 0.000 0.899 246 Q CA -0.062 55.715 55.803 -0.043 0.000 1.139 246 Q CB 0.699 29.384 28.738 -0.088 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.056 109.855 108.800 -0.002 0.000 2.418 247 G HA2 0.007 3.967 3.960 0.000 0.000 0.217 247 G HA3 0.007 3.967 3.960 0.000 0.000 0.217 247 G C 0.938 175.839 174.900 0.002 0.000 1.158 247 G CA 1.523 46.628 45.100 0.008 0.000 0.771 247 G HN 0.514 nan 8.290 nan 0.000 0.545 248 I N -3.647 116.921 120.570 -0.004 0.000 1.251 248 I HA -0.007 4.163 4.170 0.000 0.000 0.295 248 I C -0.620 175.495 176.117 -0.002 0.000 0.524 248 I CA -0.306 60.991 61.300 -0.004 0.000 3.160 248 I CB -0.117 37.884 38.000 0.003 0.000 1.706 248 I HN 0.017 nan 8.210 nan 0.000 0.523 249 L N 1.128 122.352 121.223 0.003 0.000 3.065 249 L HA 0.007 4.347 4.340 0.000 0.000 0.429 249 L C -0.892 175.981 176.870 0.004 0.000 0.956 249 L CA -0.403 54.439 54.840 0.004 0.000 1.409 249 L CB -0.916 41.143 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.930 120.847 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 0.000 0.000 0.304 250 V C -0.047 176.050 176.094 0.006 0.000 1.071 250 V CA 0.088 62.391 62.300 0.005 0.000 0.894 250 V CB 1.809 33.635 31.823 0.004 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.582 123.985 120.400 0.005 0.000 2.972 251 K HA -0.195 4.125 4.320 0.000 0.000 0.853 251 K C 0.685 177.289 176.600 0.006 0.000 2.102 251 K CA 0.699 56.989 56.287 0.005 0.000 1.382 251 K CB -0.720 31.783 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.930 120.734 119.800 0.005 0.000 2.331 252 Q HA 0.068 4.408 4.340 0.000 0.000 0.203 252 Q C 0.235 176.237 176.000 0.003 0.000 0.944 252 Q CA 0.898 56.704 55.803 0.004 0.000 0.892 252 Q CB 0.480 29.220 28.738 0.003 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.225 118.577 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 0.000 0.000 0.295 253 Q C -0.870 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.718 55.086 55.803 0.003 0.000 0.768 253 Q CB 1.011 29.750 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.324 118.378 118.700 0.002 0.000 1.366 254 N HA -0.263 4.477 4.740 0.000 0.000 0.141 254 N C 0.237 175.749 175.510 0.003 0.000 0.460 254 N CA 2.047 55.099 53.050 0.002 0.000 1.090 254 N CB -1.522 36.967 38.487 0.002 0.000 1.396 254 N HN 0.762 nan 8.380 nan 0.000 0.443 255 G N 1.512 110.314 108.800 0.003 0.000 2.415 255 G HA2 0.492 4.452 3.960 0.000 0.000 0.269 255 G HA3 0.492 4.452 3.960 0.000 0.000 0.269 255 G C -0.105 174.798 174.900 0.005 0.000 1.209 255 G CA 0.140 45.242 45.100 0.004 0.000 0.835 255 G HN 0.735 nan 8.290 nan 0.000 0.534 256 K N 2.408 122.811 120.400 0.005 0.000 2.568 256 K HA 0.301 4.621 4.320 0.000 0.000 0.273 256 K C -0.569 176.034 176.600 0.006 0.000 0.951 256 K CA -0.818 55.473 56.287 0.006 0.000 0.854 256 K CB 0.875 33.379 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.897 122.124 121.223 0.007 0.000 2.240 257 L HA 0.037 4.377 4.340 0.000 0.000 0.166 257 L C 1.480 178.357 176.870 0.010 0.000 0.893 257 L CA 0.125 54.971 54.840 0.010 0.000 1.058 257 L CB -0.266 41.801 42.059 0.012 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.581 119.627 120.200 0.013 0.000 2.683 258 E HA -0.025 4.325 4.350 0.000 0.000 0.266 258 E C 0.688 177.298 176.600 0.016 0.000 1.434 258 E CA 0.281 56.691 56.400 0.018 0.000 1.137 258 E CB 0.363 30.076 29.700 0.023 0.000 0.992 258 E HN 0.572 nan 8.360 nan 0.000 0.607 259 S N -0.710 115.001 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 0.000 0.000 0.164 259 S C 0.423 175.033 174.600 0.017 0.000 0.714 259 S CA -0.457 57.753 58.200 0.016 0.000 0.906 259 S CB 0.404 63.614 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.963 118.850 119.800 0.022 0.000 2.397 260 Q HA 0.569 4.909 4.340 0.000 0.000 0.384 260 Q C -1.551 174.467 176.000 0.030 0.000 0.574 260 Q CA -0.361 55.455 55.803 0.021 0.000 1.025 260 Q CB 0.907 29.653 28.738 0.014 0.000 0.985 260 Q HN 0.645 nan 8.270 nan 0.000 0.456 261 V N 0.178 120.107 119.914 0.024 0.000 2.115 261 V HA -0.023 4.097 4.120 0.000 0.000 0.344 261 V C -1.841 174.253 176.094 0.000 0.000 1.564 261 V CA -0.618 61.701 62.300 0.032 0.000 0.889 261 V CB 0.655 32.522 31.823 0.074 0.000 1.226 261 V HN 0.743 nan 8.190 nan 0.000 0.228 262 E N 1.903 122.087 120.200 -0.028 0.000 2.311 262 E HA 0.587 4.937 4.350 0.000 0.000 0.281 262 E C -1.138 175.343 176.600 -0.199 0.000 0.905 262 E CA -0.778 55.568 56.400 -0.090 0.000 0.778 262 E CB 2.081 31.745 29.700 -0.059 0.000 1.240 262 E HN 0.646 nan 8.360 nan 0.000 0.410 263 M N 2.387 121.779 119.600 -0.346 0.000 2.211 263 M HA 0.229 4.709 4.480 0.000 0.000 0.356 263 M C -0.316 175.636 176.300 -0.581 0.000 1.216 263 M CA 0.212 55.125 55.300 -0.646 0.000 1.134 263 M CB 0.733 32.783 32.600 -0.916 0.000 1.564 263 M HN 0.271 nan 8.290 nan 0.000 0.463 264 Q N 3.308 122.752 119.800 -0.593 0.000 2.401 264 Q HA 0.428 4.768 4.340 0.000 0.000 0.260 264 Q C -1.447 173.975 176.000 -0.965 0.000 1.034 264 Q CA -0.349 55.090 55.803 -0.606 0.000 0.737 264 Q CB 1.189 29.761 28.738 -0.276 0.000 1.227 264 Q HN 0.497 nan 8.270 nan 0.000 0.488 265 F N 2.022 121.569 119.950 -0.672 0.000 2.429 265 F HA 0.413 4.940 4.527 0.000 0.000 0.348 265 F C 0.052 175.340 175.800 -0.853 0.000 1.109 265 F CA -0.008 57.679 58.000 -0.521 0.000 1.232 265 F CB 0.454 39.289 39.000 -0.275 0.000 1.157 265 F HN 0.347 nan 8.300 nan 0.000 0.564 266 F N 0.134 120.161 119.950 0.128 0.000 2.588 266 F HA 0.540 5.067 4.527 0.000 0.000 0.310 266 F C 0.061 175.889 175.800 0.048 0.000 1.082 266 F CA -0.911 57.123 58.000 0.057 0.000 0.929 266 F CB 1.933 40.940 39.000 0.012 0.000 1.254 266 F HN 0.470 nan 8.300 nan 0.000 0.455 267 S N -0.527 115.295 115.700 0.203 0.000 2.753 267 S HA 0.602 5.072 4.470 0.000 0.000 0.302 267 S C 0.007 174.659 174.600 0.086 0.000 1.104 267 S CA -0.362 57.902 58.200 0.108 0.000 0.968 267 S CB 1.546 64.781 63.200 0.059 0.000 1.278 267 S HN 0.546 nan 8.310 nan 0.000 0.549 268 T N 0.795 115.377 114.554 0.046 0.000 3.132 268 T HA 0.334 4.684 4.350 0.000 0.000 0.274 268 T C -0.375 174.339 174.700 0.023 0.000 1.011 268 T CA 0.321 62.439 62.100 0.030 0.000 0.899 268 T CB -0.320 68.556 68.868 0.014 0.000 1.089 268 T HN 0.870 nan 8.240 nan 0.000 0.543 269 T N 2.621 117.190 114.554 0.026 0.000 4.385 269 T HA -0.146 4.204 4.350 0.000 0.000 0.330 269 T C -0.136 174.571 174.700 0.011 0.000 0.771 269 T CA 0.474 62.585 62.100 0.018 0.000 1.973 269 T CB -1.567 67.311 68.868 0.018 0.000 1.908 269 T HN 0.558 nan 8.240 nan 0.000 0.933 270 E N 1.467 121.672 120.200 0.009 0.000 2.129 270 E HA 0.511 4.861 4.350 0.000 0.000 0.283 270 E C 0.593 177.194 176.600 0.001 0.000 1.080 270 E CA 0.260 56.663 56.400 0.004 0.000 0.867 270 E CB 0.843 30.544 29.700 0.002 0.000 1.056 270 E HN 0.832 nan 8.360 nan 0.000 0.404 271 A N 2.761 125.581 122.820 0.001 0.000 2.434 271 A HA -0.159 4.161 4.320 0.000 0.000 0.686 271 A C 0.967 178.550 177.584 -0.001 0.000 0.138 271 A CA 0.584 52.621 52.037 -0.001 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.002 0.000 3.972 271 A HN 0.859 nan 8.150 nan 0.000 0.548 272 T N 1.137 115.690 114.554 -0.002 0.000 2.814 272 T HA 0.635 4.985 4.350 0.000 0.000 0.254 272 T C 1.482 176.179 174.700 -0.005 0.000 1.037 272 T CA 2.096 64.194 62.100 -0.003 0.000 1.143 272 T CB -0.218 68.649 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.368 124.185 122.820 -0.006 0.000 2.454 273 A HA 0.546 4.866 4.320 0.000 0.000 0.260 273 A C 0.865 178.443 177.584 -0.009 0.000 1.106 273 A CA 0.027 52.060 52.037 -0.007 0.000 0.780 273 A CB -0.182 18.814 19.000 -0.006 0.000 1.044 273 A HN 0.676 nan 8.150 nan 0.000 0.498 274 G N 2.660 111.453 108.800 -0.012 0.000 2.696 274 G HA2 0.389 4.349 3.960 0.000 0.000 0.329 274 G HA3 0.389 4.349 3.960 0.000 0.000 0.329 274 G C 0.253 175.144 174.900 -0.015 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.015 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.387 121.079 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 0.000 0.000 0.230 275 N C 1.691 177.193 175.510 -0.013 0.000 1.022 275 N CA 0.693 53.736 53.050 -0.012 0.000 1.172 275 N CB 0.293 38.775 38.487 -0.009 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.167 109.960 108.800 -0.011 0.000 3.228 276 G HA2 0.054 4.014 3.960 0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 0.000 0.000 0.245 276 G C -0.291 174.603 174.900 -0.010 0.000 1.051 276 G CA -0.164 44.929 45.100 -0.011 0.000 0.809 276 G HN 0.388 nan 8.290 nan 0.000 0.531 277 D N 0.866 121.260 120.400 -0.010 0.000 2.368 277 D HA 0.020 4.660 4.640 0.000 0.000 0.240 277 D C -0.376 175.918 176.300 -0.012 0.000 1.169 277 D CA -0.464 53.531 54.000 -0.009 0.000 0.906 277 D CB 0.586 41.381 40.800 -0.008 0.000 1.187 277 D HN -0.015 nan 8.370 nan 0.000 0.435 278 N N 1.887 120.582 118.700 -0.008 0.000 2.558 278 N HA 0.071 4.811 4.740 0.000 0.000 0.233 278 N C 0.656 176.159 175.510 -0.012 0.000 1.038 278 N CA -0.417 52.628 53.050 -0.009 0.000 0.934 278 N CB 1.150 39.638 38.487 0.002 0.000 1.175 278 N HN 0.423 nan 8.380 nan 0.000 0.512 279 L N 0.962 122.171 121.223 -0.023 0.000 2.740 279 L HA -0.085 4.255 4.340 0.000 0.000 0.242 279 L C 0.625 177.483 176.870 -0.021 0.000 1.175 279 L CA 0.598 55.423 54.840 -0.025 0.000 0.859 279 L CB -1.362 40.671 42.059 -0.042 0.000 0.992 279 L HN 0.506 nan 8.230 nan 0.000 0.454 280 T N -0.189 114.359 114.554 -0.010 0.000 2.657 280 T HA -0.047 4.303 4.350 0.000 0.000 0.245 280 T C -1.864 172.848 174.700 0.021 0.000 1.021 280 T CA -1.079 61.028 62.100 0.012 0.000 1.155 280 T CB -0.386 68.504 68.868 0.036 0.000 1.022 280 T HN 0.188 nan 8.240 nan 0.000 0.477 281 P HA 0.241 nan 4.420 nan 0.000 0.271 281 P C 0.228 177.565 177.300 0.062 0.000 1.233 281 P CA -0.469 62.695 63.100 0.107 0.000 0.789 281 P CB 0.897 32.742 31.700 0.241 0.000 0.951 282 K N -0.701 119.743 120.400 0.073 0.000 2.450 282 K HA 0.307 4.627 4.320 0.000 0.000 0.206 282 K C -0.626 176.008 176.600 0.056 0.000 1.148 282 K CA 0.114 56.403 56.287 0.003 0.000 1.014 282 K CB 0.850 33.349 32.500 -0.003 0.000 0.966 282 K HN 0.193 nan 8.250 nan 0.000 0.566 283 V N 1.467 121.466 119.914 0.142 0.000 2.823 283 V HA 0.163 4.283 4.120 0.000 0.000 0.296 283 V C -1.175 175.050 176.094 0.218 0.000 1.250 283 V CA -0.943 61.453 62.300 0.161 0.000 0.939 283 V CB 2.138 34.030 31.823 0.114 0.000 1.062 283 V HN -0.259 nan 8.190 nan 0.000 0.433 284 V N 6.215 126.226 119.914 0.162 0.000 2.347 284 V HA 0.521 4.641 4.120 0.000 0.000 0.280 284 V C -0.195 175.949 176.094 0.083 0.000 1.021 284 V CA -0.440 61.871 62.300 0.019 0.000 0.847 284 V CB 1.525 33.315 31.823 -0.056 0.000 0.990 284 V HN 0.632 nan 8.190 nan 0.000 0.444 285 L N 5.265 126.523 121.223 0.058 0.000 2.296 285 L HA 0.486 4.826 4.340 0.000 0.000 0.286 285 L C -0.970 175.890 176.870 -0.016 0.000 1.023 285 L CA -0.647 54.272 54.840 0.131 0.000 0.812 285 L CB 1.297 43.489 42.059 0.223 0.000 1.223 285 L HN 0.556 nan 8.230 nan 0.000 0.421 286 Y N 1.737 122.017 120.300 -0.035 0.000 2.714 286 Y HA 0.122 4.672 4.550 0.000 0.000 0.333 286 Y C 1.067 176.953 175.900 -0.023 0.000 1.220 286 Y CA -0.654 57.413 58.100 -0.055 0.000 1.513 286 Y CB 0.338 38.758 38.460 -0.067 0.000 1.435 286 Y HN 0.548 nan 8.280 nan 0.000 0.489 287 S N 2.184 117.918 115.700 0.057 0.000 2.572 287 S HA 0.451 4.921 4.470 0.000 0.000 0.279 287 S C -0.151 174.481 174.600 0.054 0.000 1.341 287 S CA -0.583 57.652 58.200 0.058 0.000 1.043 287 S CB 1.107 64.331 63.200 0.041 0.000 0.887 287 S HN 0.717 nan 8.310 nan 0.000 0.516 288 E N 0.343 120.574 120.200 0.052 0.000 2.429 288 E HA 0.380 4.730 4.350 0.000 0.000 0.280 288 E C -2.118 174.502 176.600 0.033 0.000 1.068 288 E CA -1.026 55.398 56.400 0.041 0.000 0.837 288 E CB 0.783 30.510 29.700 0.045 0.000 1.357 288 E HN 0.489 nan 8.360 nan 0.000 0.455 289 D N 1.120 121.534 120.400 0.023 0.000 2.217 289 D HA 0.449 5.089 4.640 0.000 0.000 0.243 289 D C -0.483 175.817 176.300 0.001 0.000 1.054 289 D CA -0.307 53.703 54.000 0.016 0.000 0.838 289 D CB 2.150 42.959 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.735 119.173 119.914 -0.010 0.000 2.914 290 V HA 0.409 4.529 4.120 0.000 0.000 0.314 290 V C 0.100 176.165 176.094 -0.049 0.000 1.084 290 V CA -0.959 61.317 62.300 -0.039 0.000 0.963 290 V CB 2.403 34.191 31.823 -0.058 0.000 1.025 290 V HN 0.325 nan 8.190 nan 0.000 0.432 291 D N 2.847 123.204 120.400 -0.072 0.000 2.671 291 D HA 0.166 4.806 4.640 0.000 0.000 0.228 291 D C 0.115 176.359 176.300 -0.094 0.000 1.102 291 D CA 0.128 54.089 54.000 -0.065 0.000 1.044 291 D CB 0.110 40.873 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.412 122.941 120.570 -0.068 0.000 2.618 292 I HA 0.004 4.174 4.170 0.000 0.000 0.284 292 I C 0.218 176.319 176.117 -0.027 0.000 1.146 292 I CA 0.217 61.477 61.300 -0.068 0.000 1.425 292 I CB 0.283 38.264 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.865 124.057 120.200 -0.014 0.000 2.408 293 E HA 0.462 4.812 4.350 0.000 0.000 0.275 293 E C -1.304 175.330 176.600 0.056 0.000 0.935 293 E CA -0.922 55.503 56.400 0.042 0.000 0.775 293 E CB 1.735 31.485 29.700 0.083 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.996 113.597 114.554 0.064 0.000 3.327 294 T HA 0.315 4.665 4.350 0.000 0.000 0.373 294 T C -1.789 172.965 174.700 0.090 0.000 1.589 294 T CA -1.423 60.724 62.100 0.078 0.000 1.497 294 T CB 0.819 69.734 68.868 0.079 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.016 nan 4.420 nan 0.000 0.223 295 P C 0.315 177.662 177.300 0.078 0.000 1.151 295 P CA 1.134 64.283 63.100 0.082 0.000 0.787 295 P CB 0.167 31.908 31.700 0.069 0.000 0.788 296 D N -1.325 119.145 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 0.000 0.000 0.237 296 D C 0.206 176.561 176.300 0.092 0.000 1.282 296 D CA -0.247 53.791 54.000 0.064 0.000 0.816 296 D CB -0.320 40.514 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.675 111.958 114.554 0.132 0.000 2.865 297 T HA 0.624 4.974 4.350 0.000 0.000 0.294 297 T C -0.590 174.243 174.700 0.223 0.000 1.119 297 T CA -0.863 61.343 62.100 0.178 0.000 1.007 297 T CB 2.494 71.445 68.868 0.138 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.474 118.627 119.070 0.052 0.000 2.977 298 H HA 0.543 5.099 4.556 0.000 0.000 0.350 298 H C -1.157 174.188 175.328 0.029 0.000 1.238 298 H CA -1.436 54.625 56.048 0.022 0.000 1.124 298 H CB 0.757 30.507 29.762 -0.019 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.625 123.201 120.570 0.010 0.000 2.452 299 I HA -0.045 4.125 4.170 0.000 0.000 0.287 299 I C 1.513 177.575 176.117 -0.092 0.000 1.079 299 I CA 0.220 61.489 61.300 -0.051 0.000 1.387 299 I CB 0.987 38.976 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.867 121.495 115.700 -0.119 0.000 2.524 300 S HA 0.017 4.487 4.470 0.000 0.000 0.216 300 S C 0.112 174.756 174.600 0.074 0.000 0.987 300 S CA 0.080 58.233 58.200 -0.078 0.000 0.909 300 S CB -0.035 63.089 63.200 -0.127 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.281 121.537 120.300 -0.074 0.000 2.294 301 Y HA 0.558 5.108 4.550 0.000 0.000 0.329 301 Y C -1.311 174.561 175.900 -0.047 0.000 1.135 301 Y CA -1.350 56.718 58.100 -0.053 0.000 1.213 301 Y CB 1.022 39.448 38.460 -0.058 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.046 128.327 119.600 -0.532 0.000 2.063 302 M HA 0.334 4.814 4.480 0.000 0.000 0.348 302 M C -1.982 173.883 176.300 -0.726 0.000 1.180 302 M CA -2.630 52.374 55.300 -0.492 0.000 1.059 302 M CB 1.126 33.581 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.017 nan 4.420 nan 0.000 0.214 303 P C -0.142 177.008 177.300 -0.251 0.000 1.162 303 P CA 1.154 63.958 63.100 -0.493 0.000 0.874 303 P CB 0.358 31.890 31.700 -0.280 0.000 0.784 304 T N -1.085 113.349 114.554 -0.199 0.000 2.907 304 T HA 0.342 4.692 4.350 0.000 0.000 0.292 304 T C 0.820 175.454 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.492 62.100 -0.128 0.000 1.003 304 T CB 1.750 70.557 68.868 -0.102 0.000 1.084 304 T HN -0.117 nan 8.240 nan 0.000 0.483 305 I N 0.780 121.303 120.570 -0.078 0.000 2.716 305 I HA 0.128 4.298 4.170 0.000 0.000 0.259 305 I C 0.651 176.739 176.117 -0.048 0.000 1.172 305 I CA 0.512 61.776 61.300 -0.060 0.000 1.478 305 I CB 0.103 38.077 38.000 -0.044 0.000 1.104 305 I HN 0.500 nan 8.210 nan 0.000 0.439 306 K N 2.885 123.258 120.400 -0.046 0.000 2.511 306 K HA -0.040 4.280 4.320 0.000 0.000 0.280 306 K C -0.020 176.559 176.600 -0.034 0.000 1.008 306 K CA 0.341 56.608 56.287 -0.034 0.000 1.050 306 K CB 0.265 32.745 32.500 -0.032 0.000 0.889 306 K HN 0.311 nan 8.250 nan 0.000 0.484 307 E N 0.675 120.863 120.200 -0.020 0.000 2.371 307 E HA 0.307 4.657 4.350 0.000 0.000 0.257 307 E C 0.256 176.853 176.600 -0.006 0.000 1.134 307 E CA -0.125 56.267 56.400 -0.014 0.000 0.919 307 E CB 0.818 30.515 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.479 110.279 108.800 0.000 0.000 2.719 308 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 308 G C -0.814 174.093 174.900 0.012 0.000 1.201 308 G CA -1.006 44.104 45.100 0.017 0.000 0.768 308 G HN 0.451 nan 8.290 nan 0.000 0.629 309 N N 0.520 119.245 118.700 0.043 0.000 2.497 309 N HA 0.574 5.314 4.740 0.000 0.000 0.268 309 N C 0.578 176.112 175.510 0.039 0.000 1.171 309 N CA 0.712 53.785 53.050 0.039 0.000 0.948 309 N CB 1.448 40.005 38.487 0.117 0.000 1.069 309 N HN 1.277 nan 8.380 nan 0.000 0.460 310 S N 0.471 116.080 115.700 -0.151 0.000 2.638 310 S HA 0.410 4.880 4.470 0.000 0.000 0.274 310 S C 0.819 174.916 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.310 0.000 0.826 310 S CB 2.389 65.496 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.464 120.330 120.500 -1.057 0.000 2.105 311 R HA -0.103 4.237 4.340 0.000 0.000 0.239 311 R C 1.424 177.363 176.300 -0.601 0.000 1.135 311 R CA 1.780 57.222 56.100 -1.098 0.000 0.967 311 R CB -0.361 29.621 30.300 -0.530 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.927 120.899 120.200 -0.382 0.000 2.070 312 E HA -0.232 4.118 4.350 0.000 0.000 0.197 312 E C 2.010 178.464 176.600 -0.244 0.000 1.004 312 E CA 1.155 57.407 56.400 -0.247 0.000 0.805 312 E CB -0.336 29.260 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.291 121.353 121.223 -0.269 0.000 2.450 313 L HA -0.083 4.257 4.340 0.000 0.000 0.224 313 L C 2.391 179.135 176.870 -0.211 0.000 1.149 313 L CA 0.421 55.133 54.840 -0.214 0.000 0.816 313 L CB -0.294 41.657 42.059 -0.180 0.000 0.932 313 L HN 0.145 nan 8.230 nan 0.000 0.449 314 M N -1.025 118.394 119.600 -0.302 0.000 2.557 314 M HA -0.049 4.431 4.480 0.000 0.000 0.259 314 M C 1.706 177.901 176.300 -0.174 0.000 1.086 314 M CA 1.063 56.195 55.300 -0.279 0.000 1.096 314 M CB -0.278 32.049 32.600 -0.455 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.346 109.072 108.800 -0.123 0.000 3.189 315 G HA2 0.047 4.007 3.960 0.000 0.000 0.225 315 G HA3 0.047 4.007 3.960 0.000 0.000 0.225 315 G C 0.330 175.291 174.900 0.102 0.000 1.159 315 G CA -0.397 44.695 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.042 119.854 119.800 0.019 0.000 2.340 316 Q HA 0.479 4.819 4.340 0.000 0.000 0.249 316 Q C -0.783 175.260 176.000 0.072 0.000 0.957 316 Q CA -0.176 55.651 55.803 0.040 0.000 0.882 316 Q CB 0.938 29.639 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.015 120.877 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 0.000 0.000 0.268 317 Q C -1.233 174.765 176.000 -0.003 0.000 1.054 317 Q CA -0.737 55.089 55.803 0.038 0.000 0.835 317 Q CB 2.488 31.240 28.738 0.024 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.666 117.357 115.700 -0.016 0.000 2.537 318 S HA 0.779 5.249 4.470 0.000 0.000 0.301 318 S C -1.089 173.470 174.600 -0.069 0.000 1.092 318 S CA -0.627 57.578 58.200 0.009 0.000 1.048 318 S CB 0.853 64.172 63.200 0.199 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.013 124.537 119.600 -0.127 0.000 2.433 319 M HA 0.536 5.016 4.480 0.000 0.000 0.290 319 M C -2.773 173.528 176.300 0.001 0.000 1.173 319 M CA -2.137 53.077 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.916 32.600 -0.337 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.082 nan 4.420 nan 0.000 0.271 320 P C -1.216 176.195 177.300 0.185 0.000 1.216 320 P CA -0.063 63.157 63.100 0.200 0.000 0.776 320 P CB 0.329 32.152 31.700 0.205 0.000 0.881 321 N N 2.655 121.455 118.700 0.166 0.000 2.453 321 N HA 0.078 4.818 4.740 0.000 0.000 0.253 321 N C 0.626 176.109 175.510 -0.044 0.000 1.252 321 N CA 0.033 53.139 53.050 0.093 0.000 0.917 321 N CB 0.177 38.708 38.487 0.074 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.816 122.237 120.500 -0.132 0.000 2.570 322 R HA 0.112 4.452 4.340 0.000 0.000 0.277 322 R C -1.875 174.317 176.300 -0.180 0.000 1.039 322 R CA -0.901 55.075 56.100 -0.207 0.000 1.065 322 R CB -0.075 30.031 30.300 -0.323 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.005 nan 4.420 nan 0.000 0.271 323 P C -0.962 176.174 177.300 -0.273 0.000 1.218 323 P CA -0.110 62.765 63.100 -0.375 0.000 0.780 323 P CB 0.652 32.127 31.700 -0.375 0.000 0.901 324 N N 1.748 120.194 118.700 -0.424 0.000 2.629 324 N HA 0.212 4.952 4.740 0.000 0.000 0.277 324 N C -1.766 173.580 175.510 -0.274 0.000 1.188 324 N CA -0.410 52.506 53.050 -0.224 0.000 0.835 324 N CB 0.163 38.578 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.752 123.084 120.300 0.054 0.000 2.319 325 Y HA 0.480 5.030 4.550 0.000 0.000 0.328 325 Y C 0.580 176.588 175.900 0.179 0.000 1.133 325 Y CA -0.104 58.092 58.100 0.160 0.000 1.265 325 Y CB 0.912 39.457 38.460 0.140 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.921 123.731 120.570 0.400 0.000 2.533 326 I HA 0.774 4.944 4.170 0.000 0.000 0.290 326 I C -0.456 175.618 176.117 -0.071 0.000 1.056 326 I CA -0.693 60.655 61.300 0.080 0.000 1.057 326 I CB 1.750 39.723 38.000 -0.044 0.000 1.240 326 I HN 0.721 nan 8.210 nan 0.000 0.423 327 A N 4.707 127.458 122.820 -0.115 0.000 2.536 327 A HA 0.742 5.062 4.320 0.000 0.000 0.293 327 A C -1.534 175.942 177.584 -0.178 0.000 1.119 327 A CA -0.553 51.378 52.037 -0.177 0.000 0.654 327 A CB 0.777 19.758 19.000 -0.032 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.290 121.219 119.950 -0.035 0.000 2.444 328 F HA 0.473 5.000 4.527 0.000 0.000 0.331 328 F C 1.547 177.328 175.800 -0.032 0.000 1.167 328 F CA 0.483 58.493 58.000 0.016 0.000 1.262 328 F CB 0.664 39.756 39.000 0.153 0.000 1.196 328 F HN 0.532 nan 8.300 nan 0.000 0.583 329 R N 0.324 120.956 120.500 0.220 0.000 2.649 329 R HA 0.105 4.445 4.340 0.000 0.000 0.270 329 R C -0.700 175.580 176.300 -0.035 0.000 1.105 329 R CA -0.832 55.319 56.100 0.084 0.000 1.193 329 R CB 0.179 30.548 30.300 0.114 0.000 1.120 329 R HN 0.508 nan 8.270 nan 0.000 0.561 330 D N 0.791 121.171 120.400 -0.033 0.000 2.487 330 D HA -0.082 4.558 4.640 0.000 0.000 0.243 330 D C -0.316 175.950 176.300 -0.057 0.000 1.154 330 D CA 0.912 54.873 54.000 -0.065 0.000 0.876 330 D CB -0.025 40.765 40.800 -0.017 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.764 121.389 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 0.000 0.000 0.250 331 N C -0.229 175.300 175.510 0.033 0.000 1.117 331 N CA 0.478 53.508 53.050 -0.033 0.000 0.719 331 N CB -1.533 37.031 38.487 0.128 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.930 118.063 119.950 0.071 0.000 3.091 332 F HA -0.271 4.256 4.527 0.000 0.000 0.288 332 F C 0.526 176.373 175.800 0.078 0.000 0.907 332 F CA 0.078 58.110 58.000 0.053 0.000 1.028 332 F CB -1.455 37.545 39.000 0.001 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.826 121.513 120.570 0.196 0.000 2.775 333 I HA 0.107 4.277 4.170 0.000 0.000 0.290 333 I C 1.558 177.788 176.117 0.188 0.000 1.203 333 I CA 1.583 62.987 61.300 0.173 0.000 1.433 333 I CB 0.336 38.408 38.000 0.120 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.486 113.387 108.800 0.169 0.000 2.268 334 G HA2 -0.287 3.673 3.960 0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 0.000 0.000 0.240 334 G C 0.871 175.817 174.900 0.077 0.000 1.010 334 G CA 0.312 45.479 45.100 0.111 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.027 121.341 121.223 0.152 0.000 2.046 335 L HA 0.254 4.594 4.340 0.000 0.000 0.208 335 L C 1.776 178.683 176.870 0.061 0.000 1.077 335 L CA 1.256 56.197 54.840 0.168 0.000 0.747 335 L CB -0.161 42.005 42.059 0.178 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.971 117.585 119.600 -0.073 0.000 2.423 336 M HA 0.224 4.704 4.480 0.000 0.000 0.335 336 M C -1.145 174.946 176.300 -0.347 0.000 1.177 336 M CA -0.507 54.588 55.300 -0.342 0.000 1.038 336 M CB 1.641 33.911 32.600 -0.550 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.626 121.753 120.300 -0.288 0.000 2.335 337 Y HA 0.294 4.844 4.550 0.000 0.000 0.331 337 Y C -0.923 174.828 175.900 -0.249 0.000 1.094 337 Y CA 0.540 58.526 58.100 -0.190 0.000 1.253 337 Y CB 0.460 38.805 38.460 -0.193 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.835 121.301 120.300 0.277 0.000 2.562 338 Y HA 0.230 4.780 4.550 0.000 0.000 0.345 338 Y C -0.052 175.961 175.900 0.188 0.000 1.045 338 Y CA -2.177 56.072 58.100 0.248 0.000 1.028 338 Y CB 1.467 40.097 38.460 0.283 0.000 1.297 338 Y HN 0.642 nan 8.280 nan 0.000 0.463 339 N N 0.147 119.052 118.700 0.342 0.000 2.721 339 N HA -0.186 4.554 4.740 0.000 0.000 0.249 339 N C -1.003 174.597 175.510 0.151 0.000 1.072 339 N CA 1.136 54.328 53.050 0.237 0.000 0.710 339 N CB -1.296 37.353 38.487 0.271 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.586 115.170 115.700 0.094 0.000 2.652 340 S HA 0.237 4.707 4.470 0.000 0.000 0.252 340 S C 1.396 175.964 174.600 -0.054 0.000 1.219 340 S CA -0.285 57.941 58.200 0.043 0.000 1.151 340 S CB 1.391 64.663 63.200 0.119 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.125 114.647 114.554 -0.054 0.000 2.869 341 T HA -0.136 4.214 4.350 0.000 0.000 0.270 341 T C 1.907 176.533 174.700 -0.123 0.000 1.082 341 T CA 1.560 63.607 62.100 -0.090 0.000 1.123 341 T CB -0.374 68.457 68.868 -0.062 0.000 0.856 341 T HN 0.624 nan 8.240 nan 0.000 0.499 342 G N 1.219 109.946 108.800 -0.121 0.000 2.511 342 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 342 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 342 G C 0.989 175.752 174.900 -0.228 0.000 1.133 342 G CA 0.007 45.023 45.100 -0.141 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.129 118.637 118.700 -0.320 0.000 2.642 343 N HA 0.186 4.926 4.740 0.000 0.000 0.308 343 N C -0.588 174.637 175.510 -0.474 0.000 1.914 343 N CA -0.203 52.554 53.050 -0.487 0.000 0.893 343 N CB 0.923 38.833 38.487 -0.962 0.000 1.322 343 N HN 0.213 nan 8.380 nan 0.000 0.490 344 M N 0.973 120.333 119.600 -0.399 0.000 2.228 344 M HA 0.216 4.696 4.480 0.000 0.000 0.351 344 M C 0.925 176.799 176.300 -0.710 0.000 1.233 344 M CA -0.033 54.981 55.300 -0.477 0.000 1.129 344 M CB 0.666 33.065 32.600 -0.334 0.000 1.604 344 M HN 0.217 nan 8.290 nan 0.000 0.457 345 G N 3.031 111.128 108.800 -1.171 0.000 2.636 345 G HA2 0.464 4.424 3.960 0.000 0.000 0.246 345 G HA3 0.464 4.424 3.960 0.000 0.000 0.246 345 G C -1.208 173.251 174.900 -0.734 0.000 1.216 345 G CA -0.640 43.401 45.100 -1.766 0.000 0.854 345 G HN 0.642 nan 8.290 nan 0.000 0.572 346 V N 0.937 120.668 119.914 -0.305 0.000 2.623 346 V HA 0.500 4.620 4.120 0.000 0.000 0.304 346 V C -0.892 175.389 176.094 0.311 0.000 1.054 346 V CA -0.616 61.692 62.300 0.013 0.000 0.882 346 V CB 1.636 33.453 31.823 -0.009 0.000 1.002 346 V HN 0.676 nan 8.190 nan 0.000 0.424 347 L N 4.821 126.199 121.223 0.258 0.000 2.504 347 L HA 0.950 5.290 4.340 0.000 0.000 0.265 347 L C -0.398 176.583 176.870 0.184 0.000 0.975 347 L CA -0.054 54.941 54.840 0.260 0.000 0.864 347 L CB 1.279 43.447 42.059 0.182 0.000 1.212 347 L HN 0.858 nan 8.230 nan 0.000 0.416 348 A N 2.965 125.910 122.820 0.209 0.000 2.549 348 A HA 0.843 5.163 4.320 0.000 0.000 0.297 348 A C -0.198 177.531 177.584 0.243 0.000 1.061 348 A CA -0.200 51.955 52.037 0.197 0.000 0.690 348 A CB 1.280 20.357 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.167 108.766 108.800 0.222 0.000 2.442 349 G HA2 0.396 4.356 3.960 0.000 0.000 0.249 349 G HA3 0.396 4.356 3.960 0.000 0.000 0.249 349 G C 0.401 175.302 174.900 0.001 0.000 1.263 349 G CA -0.080 45.057 45.100 0.062 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.372 121.128 119.800 -0.072 0.000 2.050 350 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 350 Q C 2.961 178.947 176.000 -0.024 0.000 0.980 350 Q CA 1.741 57.525 55.803 -0.032 0.000 0.840 350 Q CB -0.110 28.600 28.738 -0.048 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.057 122.851 122.820 -0.044 0.000 1.902 351 A HA -0.197 4.123 4.320 0.000 0.000 0.217 351 A C 2.141 179.725 177.584 -0.001 0.000 1.181 351 A CA 1.768 53.790 52.037 -0.025 0.000 0.623 351 A CB -0.741 18.238 19.000 -0.036 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -1.795 113.913 115.700 0.014 0.000 2.368 352 S HA -0.231 4.239 4.470 0.000 0.000 0.224 352 S C 1.394 176.019 174.600 0.043 0.000 1.029 352 S CA 1.729 59.954 58.200 0.042 0.000 0.988 352 S CB -0.318 62.925 63.200 0.072 0.000 0.838 352 S HN 0.608 nan 8.310 nan 0.000 0.462 353 Q N -1.198 118.626 119.800 0.040 0.000 2.177 353 Q HA -0.199 4.141 4.340 0.000 0.000 0.174 353 Q C -0.223 175.804 176.000 0.046 0.000 0.609 353 Q CA 1.029 56.854 55.803 0.037 0.000 1.453 353 Q CB -1.342 27.410 28.738 0.022 0.000 1.591 353 Q HN 0.444 nan 8.270 nan 0.000 0.818 354 L N 2.218 123.477 121.223 0.060 0.000 2.367 354 L HA 0.242 4.582 4.340 0.000 0.000 0.275 354 L C 0.335 177.255 176.870 0.083 0.000 1.129 354 L CA 0.738 55.618 54.840 0.067 0.000 0.839 354 L CB 0.774 42.881 42.059 0.079 0.000 1.133 354 L HN 0.193 nan 8.230 nan 0.000 0.453 355 N N 3.106 121.848 118.700 0.069 0.000 2.420 355 N HA 0.141 4.881 4.740 0.000 0.000 0.262 355 N C 0.852 176.433 175.510 0.118 0.000 1.144 355 N CA 0.131 53.226 53.050 0.076 0.000 0.952 355 N CB 1.159 39.660 38.487 0.024 0.000 1.081 355 N HN 0.781 nan 8.380 nan 0.000 0.480 356 A N 3.725 126.636 122.820 0.151 0.000 2.119 356 A HA 0.042 4.362 4.320 0.000 0.000 0.217 356 A C 0.619 178.384 177.584 0.303 0.000 1.153 356 A CA 0.448 52.610 52.037 0.209 0.000 0.692 356 A CB 0.205 19.299 19.000 0.158 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.005 121.038 119.914 0.198 0.000 2.406 357 V HA 0.362 4.482 4.120 0.000 0.000 0.272 357 V C -0.581 175.499 176.094 -0.024 0.000 1.043 357 V CA -0.186 62.203 62.300 0.148 0.000 0.915 357 V CB 1.249 33.060 31.823 -0.020 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.452 124.278 119.914 -0.147 0.000 2.419 358 V HA 0.440 4.560 4.120 0.000 0.000 0.287 358 V C -0.557 175.363 176.094 -0.291 0.000 1.017 358 V CA -0.548 61.522 62.300 -0.383 0.000 0.844 358 V CB 1.644 33.014 31.823 -0.754 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.312 123.616 120.400 -0.160 0.000 2.326 359 D HA 0.769 5.409 4.640 0.000 0.000 0.248 359 D C -0.858 175.461 176.300 0.032 0.000 1.001 359 D CA -0.267 53.740 54.000 0.012 0.000 0.961 359 D CB 2.243 42.998 40.800 -0.074 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 0.990 122.288 121.223 0.126 0.000 2.388 360 L HA 0.327 4.667 4.340 0.000 0.000 0.264 360 L C 1.005 177.947 176.870 0.120 0.000 0.998 360 L CA -0.661 54.237 54.840 0.098 0.000 0.817 360 L CB 2.200 44.328 42.059 0.116 0.000 1.338 360 L HN 0.371 nan 8.230 nan 0.000 0.414 361 Q N -1.068 118.782 119.800 0.084 0.000 2.415 361 Q HA -0.033 4.307 4.340 0.000 0.000 0.206 361 Q C 0.168 176.231 176.000 0.105 0.000 0.946 361 Q CA 0.377 56.234 55.803 0.091 0.000 0.951 361 Q CB 0.195 28.960 28.738 0.046 0.000 1.026 361 Q HN 0.567 nan 8.270 nan 0.000 0.510 362 D N 0.937 121.404 120.400 0.111 0.000 2.354 362 D HA 0.033 4.673 4.640 0.000 0.000 0.209 362 D C -0.021 176.365 176.300 0.142 0.000 1.015 362 D CA 0.070 54.137 54.000 0.112 0.000 0.867 362 D CB 0.420 41.275 40.800 0.092 0.000 0.933 362 D HN 0.193 nan 8.370 nan 0.000 0.520 363 R N 0.313 120.914 120.500 0.170 0.000 2.573 363 R HA 0.302 4.642 4.340 0.000 0.000 0.272 363 R C -0.710 175.708 176.300 0.197 0.000 1.009 363 R CA -0.517 55.691 56.100 0.181 0.000 1.059 363 R CB 0.681 31.127 30.300 0.243 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.257 120.043 118.700 0.144 0.000 2.746 364 N HA 0.126 4.867 4.740 0.000 0.000 0.250 364 N C -0.377 175.169 175.510 0.060 0.000 1.146 364 N CA -0.189 52.917 53.050 0.094 0.000 0.828 364 N CB 1.424 39.893 38.487 -0.030 0.000 1.158 364 N HN 0.573 nan 8.380 nan 0.000 0.519 365 T N 0.903 115.511 114.554 0.089 0.000 2.746 365 T HA -0.080 4.270 4.350 0.000 0.000 0.267 365 T C 1.353 176.003 174.700 -0.084 0.000 1.039 365 T CA 1.117 63.207 62.100 -0.016 0.000 1.142 365 T CB 0.208 68.983 68.868 -0.156 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.869 121.037 120.200 -0.054 0.000 2.051 366 E HA -0.089 4.261 4.350 0.000 0.000 0.192 366 E C 2.257 178.864 176.600 0.012 0.000 0.991 366 E CA 0.829 57.223 56.400 -0.009 0.000 0.799 366 E CB -0.483 29.254 29.700 0.062 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.084 122.284 121.223 -0.039 0.000 2.093 367 L HA -0.095 4.245 4.340 0.000 0.000 0.208 367 L C 2.483 179.338 176.870 -0.026 0.000 1.085 367 L CA 1.667 56.467 54.840 -0.067 0.000 0.755 367 L CB -0.686 41.313 42.059 -0.099 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.680 114.028 115.700 0.014 0.000 2.383 368 S HA -0.304 4.166 4.470 0.000 0.000 0.229 368 S C 2.110 176.741 174.600 0.052 0.000 1.030 368 S CA 1.604 59.841 58.200 0.062 0.000 1.002 368 S CB -0.597 62.636 63.200 0.055 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.394 121.641 120.300 -0.088 0.000 2.314 369 Y HA -0.013 4.537 4.550 0.000 0.000 0.293 369 Y C 2.571 178.401 175.900 -0.116 0.000 1.129 369 Y CA 1.510 59.541 58.100 -0.116 0.000 1.201 369 Y CB -0.144 38.242 38.460 -0.124 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.250 120.038 119.800 -0.020 0.000 2.046 370 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 370 Q C 2.341 178.261 176.000 -0.134 0.000 0.975 370 Q CA 1.676 57.436 55.803 -0.072 0.000 0.836 370 Q CB -0.509 28.159 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.264 121.376 121.223 -0.185 0.000 2.156 371 L HA -0.151 4.189 4.340 0.000 0.000 0.208 371 L C 2.413 179.029 176.870 -0.423 0.000 1.095 371 L CA 0.362 55.112 54.840 -0.151 0.000 0.770 371 L CB -0.491 41.585 42.059 0.029 0.000 0.914 371 L HN 0.184 nan 8.230 nan 0.000 0.439 372 L N 0.180 120.995 121.223 -0.679 0.000 2.017 372 L HA -0.204 4.136 4.340 0.000 0.000 0.208 372 L C 2.354 178.865 176.870 -0.598 0.000 1.073 372 L CA 1.733 55.962 54.840 -1.019 0.000 0.745 372 L CB -0.393 41.249 42.059 -0.694 0.000 0.894 372 L HN 0.091 nan 8.230 nan 0.000 0.432 373 L N -0.457 120.480 121.223 -0.476 0.000 2.083 373 L HA -0.228 4.112 4.340 0.000 0.000 0.209 373 L C 2.279 179.055 176.870 -0.158 0.000 1.083 373 L CA 1.622 56.275 54.840 -0.312 0.000 0.752 373 L CB -0.756 41.134 42.059 -0.282 0.000 0.899 373 L HN 0.398 nan 8.230 nan 0.000 0.433 374 D N -0.371 119.979 120.400 -0.082 0.000 2.178 374 D HA -0.177 4.463 4.640 0.000 0.000 0.201 374 D C 2.235 178.522 176.300 -0.023 0.000 0.980 374 D CA 1.355 55.359 54.000 0.007 0.000 0.842 374 D CB 0.168 41.093 40.800 0.208 0.000 0.948 374 D HN 0.298 nan 8.370 nan 0.000 0.472 375 S N -0.285 115.357 115.700 -0.096 0.000 2.470 375 S HA -0.072 4.398 4.470 0.000 0.000 0.225 375 S C 1.941 176.518 174.600 -0.037 0.000 1.006 375 S CA 0.544 58.719 58.200 -0.042 0.000 0.934 375 S CB -0.626 62.542 63.200 -0.054 0.000 0.778 375 S HN 0.546 nan 8.310 nan 0.000 0.517 376 I N -2.027 118.490 120.570 -0.089 0.000 3.941 376 I HA 0.653 4.823 4.170 0.000 0.000 0.335 376 I C 0.614 176.708 176.117 -0.038 0.000 1.402 376 I CA -0.451 60.815 61.300 -0.055 0.000 1.112 376 I CB 0.171 38.124 38.000 -0.079 0.000 1.043 376 I HN 0.325 nan 8.210 nan 0.000 0.395 377 G N 0.523 109.302 108.800 -0.035 0.000 2.488 377 G HA2 0.123 4.083 3.960 0.000 0.000 0.301 377 G HA3 0.123 4.083 3.960 0.000 0.000 0.301 377 G C -2.060 172.827 174.900 -0.021 0.000 1.339 377 G CA -0.464 44.622 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.213 120.400 -0.022 0.000 2.468 378 D HA 0.273 4.913 4.640 0.000 0.000 0.218 378 D C 1.359 177.642 176.300 -0.028 0.000 1.155 378 D CA -0.664 53.317 54.000 -0.031 0.000 0.924 378 D CB 1.262 42.039 40.800 -0.039 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.300 121.778 120.500 -0.036 0.000 2.377 379 R HA -0.071 4.269 4.340 0.000 0.000 0.207 379 R C 1.801 178.097 176.300 -0.007 0.000 1.075 379 R CA 1.152 57.240 56.100 -0.020 0.000 1.035 379 R CB -0.603 29.658 30.300 -0.064 0.000 0.857 379 R HN 0.446 nan 8.270 nan 0.000 0.475 380 T N -3.337 111.189 114.554 -0.046 0.000 3.081 380 T HA 0.170 4.520 4.350 0.000 0.000 0.255 380 T C 0.705 175.310 174.700 -0.158 0.000 1.113 380 T CA -0.101 61.953 62.100 -0.077 0.000 1.082 380 T CB 0.081 68.881 68.868 -0.115 0.000 0.939 380 T HN 0.026 nan 8.240 nan 0.000 0.506 381 R N 0.834 121.278 120.500 -0.092 0.000 2.410 381 R HA 0.458 4.798 4.340 0.000 0.000 0.288 381 R C -0.985 175.368 176.300 0.089 0.000 1.051 381 R CA -0.676 55.347 56.100 -0.128 0.000 1.021 381 R CB 0.524 30.780 30.300 -0.073 0.000 1.032 381 R HN 0.229 nan 8.270 nan 0.000 0.481 382 Y N 1.915 122.139 120.300 -0.126 0.000 2.352 382 Y HA 0.347 4.897 4.550 0.000 0.000 0.326 382 Y C -0.213 175.731 175.900 0.073 0.000 1.166 382 Y CA -1.425 56.589 58.100 -0.143 0.000 1.182 382 Y CB 0.884 39.010 38.460 -0.557 0.000 1.216 382 Y HN 0.481 nan 8.280 nan 0.000 0.474 383 F N 2.265 122.289 119.950 0.123 0.000 2.745 383 F HA 0.192 4.719 4.527 0.000 0.000 0.343 383 F C 0.877 176.721 175.800 0.074 0.000 1.196 383 F CA -0.600 57.447 58.000 0.078 0.000 1.021 383 F CB 1.445 40.490 39.000 0.075 0.000 1.297 383 F HN 0.562 nan 8.300 nan 0.000 0.486 384 S N 4.929 120.768 115.700 0.232 0.000 2.400 384 S HA -0.261 4.209 4.470 0.000 0.000 0.232 384 S C 1.955 176.350 174.600 -0.341 0.000 1.025 384 S CA 1.348 59.556 58.200 0.014 0.000 0.993 384 S CB -0.265 62.991 63.200 0.093 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.017 119.061 119.600 -0.870 0.000 2.082 385 M HA -0.071 4.409 4.480 0.000 0.000 0.258 385 M C 1.149 176.969 176.300 -0.800 0.000 1.069 385 M CA 1.853 56.495 55.300 -1.097 0.000 1.102 385 M CB -0.216 31.338 32.600 -1.744 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.367 120.552 121.300 -0.636 0.000 3.316 386 W HA 0.224 4.884 4.660 0.000 0.000 0.327 386 W C 0.441 176.724 176.519 -0.394 0.000 1.232 386 W CA -0.668 56.527 57.345 -0.250 0.000 1.805 386 W CB -0.111 29.240 29.460 -0.182 0.000 1.090 386 W HN 0.360 nan 8.180 nan 0.000 0.654 387 N N 1.414 119.944 118.700 -0.283 0.000 2.754 387 N HA -0.259 4.481 4.740 0.000 0.000 0.248 387 N C -0.032 175.340 175.510 -0.229 0.000 1.093 387 N CA 0.692 53.475 53.050 -0.446 0.000 0.699 387 N CB -1.111 36.594 38.487 -1.302 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.267 120.040 119.800 -0.044 0.000 2.534 388 Q HA 0.495 4.835 4.340 0.000 0.000 0.223 388 Q C -0.861 175.143 176.000 0.006 0.000 1.239 388 Q CA 0.264 56.108 55.803 0.069 0.000 0.936 388 Q CB 0.079 28.974 28.738 0.262 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.950 126.690 122.820 -0.134 0.000 2.679 389 A HA 0.270 4.590 4.320 0.000 0.000 0.288 389 A C -0.879 176.582 177.584 -0.204 0.000 1.160 389 A CA -0.572 51.199 52.037 -0.445 0.000 0.763 389 A CB 1.116 19.599 19.000 -0.862 0.000 1.270 389 A HN 0.510 nan 8.150 nan 0.000 0.417 390 V N 2.639 122.541 119.914 -0.020 0.000 2.788 390 V HA 0.049 4.169 4.120 0.000 0.000 0.307 390 V C 0.086 176.200 176.094 0.034 0.000 1.069 390 V CA 0.298 62.613 62.300 0.026 0.000 1.173 390 V CB 0.496 32.352 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.376 124.796 120.400 0.035 0.000 2.389 391 D HA 0.391 5.031 4.640 0.000 0.000 0.247 391 D C 0.033 176.479 176.300 0.244 0.000 1.128 391 D CA 0.510 54.576 54.000 0.109 0.000 0.884 391 D CB 1.354 42.167 40.800 0.020 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.032 116.926 115.700 0.323 0.000 2.688 392 S HA 0.725 5.195 4.470 0.000 0.000 0.275 392 S C -1.120 173.520 174.600 0.066 0.000 1.175 392 S CA -0.990 57.324 58.200 0.191 0.000 0.818 392 S CB 1.595 64.795 63.200 -0.000 0.000 1.157 392 S HN 0.546 nan 8.310 nan 0.000 0.482 393 Y N -1.093 119.129 120.300 -0.131 0.000 2.644 393 Y HA 0.744 5.294 4.550 0.000 0.000 0.338 393 Y C -1.086 174.681 175.900 -0.222 0.000 1.119 393 Y CA -1.216 56.711 58.100 -0.288 0.000 1.060 393 Y CB 0.654 38.787 38.460 -0.546 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.062 122.477 120.400 0.026 0.000 2.343 394 D HA 0.240 4.880 4.640 0.000 0.000 0.255 394 D C -1.908 174.467 176.300 0.124 0.000 1.187 394 D CA -2.290 51.722 54.000 0.021 0.000 0.875 394 D CB 1.736 42.513 40.800 -0.038 0.000 1.136 394 D HN 0.357 nan 8.370 nan 0.000 0.469 395 P HA -0.098 nan 4.420 nan 0.000 0.216 395 P C 0.509 177.856 177.300 0.078 0.000 1.150 395 P CA 0.881 64.056 63.100 0.125 0.000 0.837 395 P CB 0.326 32.057 31.700 0.053 0.000 0.786 396 D N -1.449 119.007 120.400 0.092 0.000 2.348 396 D HA -0.037 4.603 4.640 0.000 0.000 0.216 396 D C 1.716 178.128 176.300 0.187 0.000 0.970 396 D CA 0.698 54.785 54.000 0.145 0.000 0.889 396 D CB 0.023 40.921 40.800 0.164 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.428 120.373 119.914 0.052 0.000 2.685 397 V HA -0.055 4.065 4.120 0.000 0.000 0.244 397 V C 2.377 178.338 176.094 -0.222 0.000 1.054 397 V CA 0.593 62.822 62.300 -0.119 0.000 1.076 397 V CB -0.037 31.557 31.823 -0.382 0.000 0.725 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.739 121.067 120.500 -0.286 0.000 2.075 398 R HA 0.069 4.409 4.340 0.000 0.000 0.232 398 R C 0.607 176.767 176.300 -0.233 0.000 1.126 398 R CA 1.527 57.378 56.100 -0.416 0.000 0.963 398 R CB -0.155 29.753 30.300 -0.653 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.599 122.102 120.570 -0.112 0.000 2.411 399 I HA 0.270 4.440 4.170 0.000 0.000 0.284 399 I C -0.625 175.512 176.117 0.034 0.000 1.012 399 I CA -0.761 60.502 61.300 -0.062 0.000 1.119 399 I CB 1.950 39.918 38.000 -0.053 0.000 1.261 399 I HN -0.021 nan 8.210 nan 0.000 0.448 400 I N 5.882 126.495 120.570 0.073 0.000 2.517 400 I HA 0.080 4.250 4.170 0.000 0.000 0.285 400 I C 0.651 176.879 176.117 0.185 0.000 1.106 400 I CA 0.310 61.712 61.300 0.171 0.000 1.402 400 I CB 0.392 38.505 38.000 0.187 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.686 126.996 120.200 0.184 0.000 2.173 401 E HA 0.109 4.459 4.350 0.000 0.000 0.249 401 E C -0.674 175.950 176.600 0.039 0.000 0.923 401 E CA -0.506 55.964 56.400 0.117 0.000 0.754 401 E CB 0.591 30.345 29.700 0.091 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.862 121.628 118.700 0.110 0.000 2.719 402 N HA -0.008 4.732 4.740 0.000 0.000 0.243 402 N C -0.158 175.308 175.510 -0.072 0.000 1.104 402 N CA -0.116 52.976 53.050 0.070 0.000 0.981 402 N CB 0.087 38.741 38.487 0.279 0.000 1.290 402 N HN 0.501 nan 8.380 nan 0.000 0.513 403 H N 1.233 120.215 119.070 -0.146 0.000 2.538 403 H HA 0.440 4.996 4.556 0.000 0.000 0.286 403 H C 1.257 176.471 175.328 -0.190 0.000 1.035 403 H CA -0.165 55.798 56.048 -0.140 0.000 1.169 403 H CB -0.209 29.466 29.762 -0.145 0.000 1.417 403 H HN 0.510 nan 8.280 nan 0.000 0.567 404 G N 0.724 109.379 108.800 -0.242 0.000 2.542 404 G HA2 -0.166 3.794 3.960 0.000 0.000 0.235 404 G HA3 -0.166 3.794 3.960 0.000 0.000 0.235 404 G C -0.160 174.536 174.900 -0.339 0.000 1.286 404 G CA -0.017 44.967 45.100 -0.194 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.516 111.948 114.554 -0.151 0.000 2.909 405 T HA 0.692 5.042 4.350 0.000 0.000 0.299 405 T C -0.579 174.084 174.700 -0.061 0.000 1.073 405 T CA -0.216 61.807 62.100 -0.128 0.000 0.999 405 T CB 2.322 71.156 68.868 -0.057 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.268 122.433 120.200 -0.058 0.000 1.932 406 E HA 0.186 4.536 4.350 0.000 0.000 0.259 406 E C -0.328 176.247 176.600 -0.041 0.000 1.099 406 E CA -0.480 55.892 56.400 -0.047 0.000 0.970 406 E CB 0.122 29.791 29.700 -0.052 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.376 121.753 120.400 -0.038 0.000 2.643 407 D HA 0.017 4.657 4.640 0.000 0.000 0.244 407 D C 0.597 176.868 176.300 -0.048 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.044 0.000 0.831 407 D CB 0.371 41.148 40.800 -0.039 0.000 1.043 407 D HN 0.090 nan 8.370 nan 0.000 0.488 408 E N 0.321 120.497 120.200 -0.040 0.000 2.058 408 E HA -0.002 4.348 4.350 0.000 0.000 0.194 408 E C 0.575 177.151 176.600 -0.040 0.000 0.997 408 E CA 0.844 57.223 56.400 -0.034 0.000 0.801 408 E CB 0.072 29.756 29.700 -0.027 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.489 123.685 121.223 -0.045 0.000 2.326 409 L HA 0.285 4.625 4.340 0.000 0.000 0.278 409 L C -1.968 174.836 176.870 -0.110 0.000 1.092 409 L CA -2.077 52.732 54.840 -0.051 0.000 0.810 409 L CB 0.594 42.634 42.059 -0.032 0.000 1.153 409 L HN 0.036 nan 8.230 nan 0.000 0.439 410 P HA 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.475 175.498 177.300 -0.545 0.000 1.240 410 P CA -0.534 62.343 63.100 -0.372 0.000 0.798 410 P CB 0.842 32.294 31.700 -0.413 0.000 0.979 411 N N 1.156 119.483 118.700 -0.622 0.000 2.372 411 N HA 0.413 5.153 4.740 0.000 0.000 0.285 411 N C -1.000 174.135 175.510 -0.625 0.000 1.008 411 N CA -0.477 52.287 53.050 -0.478 0.000 0.880 411 N CB 1.065 39.410 38.487 -0.237 0.000 1.239 411 N HN 0.407 nan 8.380 nan 0.000 0.484 412 Y N -0.128 120.058 120.300 -0.191 0.000 2.602 412 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 412 Y C 0.175 175.718 175.900 -0.595 0.000 1.029 412 Y CA -1.244 56.581 58.100 -0.457 0.000 1.080 412 Y CB 1.181 39.210 38.460 -0.718 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.107 118.872 119.300 -0.536 0.000 2.507 413 C HA 0.897 5.357 4.460 0.000 0.000 0.319 413 C C -0.972 173.607 174.990 -0.685 0.000 1.208 413 C CA -1.137 57.633 59.018 -0.413 0.000 1.619 413 C CB -0.410 27.226 27.740 -0.173 0.000 2.230 413 C HN 0.632 nan 8.230 nan 0.000 0.492 414 F N 0.197 120.139 119.950 -0.014 0.000 2.639 414 F HA 0.754 5.281 4.527 0.000 0.000 0.339 414 F C -2.034 173.766 175.800 -0.001 0.000 1.071 414 F CA -2.323 55.657 58.000 -0.033 0.000 0.994 414 F CB 0.241 39.213 39.000 -0.046 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.209 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.035 177.300 0.020 0.000 1.215 415 P CA -0.084 63.105 63.100 0.149 0.000 0.780 415 P CB 0.624 32.419 31.700 0.158 0.000 0.898 416 L N 1.114 122.324 121.223 -0.022 0.000 2.083 416 L HA -0.124 4.216 4.340 0.000 0.000 0.209 416 L C 2.480 179.000 176.870 -0.583 0.000 1.083 416 L CA 1.909 56.655 54.840 -0.157 0.000 0.752 416 L CB -1.168 40.886 42.059 -0.008 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.866 107.462 108.800 -0.785 0.000 2.422 417 G HA2 0.028 3.988 3.960 0.000 0.000 0.218 417 G HA3 0.028 3.988 3.960 0.000 0.000 0.218 417 G C 1.303 175.728 174.900 -0.792 0.000 1.146 417 G CA 0.920 45.026 45.100 -1.657 0.000 0.769 417 G HN 0.579 nan 8.290 nan 0.000 0.547 418 G N -2.503 106.079 108.800 -0.364 0.000 2.184 418 G HA2 0.094 4.054 3.960 0.000 0.000 0.206 418 G HA3 0.094 4.054 3.960 0.000 0.000 0.206 418 G C 0.003 174.846 174.900 -0.095 0.000 0.995 418 G CA 0.345 45.319 45.100 -0.210 0.000 0.651 418 G HN 1.565 nan 8.290 nan 0.000 0.511 419 V N -0.528 119.358 119.914 -0.046 0.000 3.121 419 V HA 0.625 4.745 4.120 0.000 0.000 0.263 419 V C -0.296 175.861 176.094 0.104 0.000 1.795 419 V CA 0.165 62.497 62.300 0.054 0.000 0.979 419 V CB 1.761 33.611 31.823 0.044 0.000 1.335 419 V HN 0.651 nan 8.190 nan 0.000 0.462 420 I N 1.962 122.609 120.570 0.128 0.000 4.922 420 I HA 0.359 4.529 4.170 0.000 0.000 0.331 420 I C 0.296 176.455 176.117 0.070 0.000 1.260 420 I CA 0.054 61.429 61.300 0.125 0.000 1.366 420 I CB 0.760 38.831 38.000 0.119 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.301 122.030 118.700 0.049 0.000 3.250 421 N HA 0.120 4.860 4.740 0.000 0.000 0.307 421 N C -0.161 175.370 175.510 0.035 0.000 1.355 421 N CA 0.208 53.268 53.050 0.018 0.000 1.192 421 N CB 0.004 38.489 38.487 -0.003 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.648 112.933 114.554 0.046 0.000 2.899 422 T HA 0.304 4.654 4.350 0.000 0.000 0.295 422 T C 0.312 175.029 174.700 0.028 0.000 1.033 422 T CA -0.740 61.385 62.100 0.042 0.000 1.084 422 T CB 1.541 70.440 68.868 0.052 0.000 0.979 422 T HN 0.384 nan 8.240 nan 0.000 0.532 423 E N 0.826 121.042 120.200 0.026 0.000 2.212 423 E HA 0.414 4.764 4.350 0.000 0.000 0.268 423 E C -1.141 175.471 176.600 0.019 0.000 0.902 423 E CA -1.028 55.384 56.400 0.020 0.000 0.779 423 E CB 1.348 31.060 29.700 0.020 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.963 118.526 114.554 0.015 0.000 2.779 424 T HA 0.295 4.645 4.350 0.000 0.000 0.296 424 T C 0.018 174.731 174.700 0.022 0.000 0.938 424 T CA -0.117 61.991 62.100 0.013 0.000 1.119 424 T CB -0.051 68.821 68.868 0.008 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.257 123.497 121.223 0.028 0.000 2.283 425 L HA 0.649 4.989 4.340 0.000 0.000 0.259 425 L C 0.241 177.143 176.870 0.055 0.000 1.027 425 L CA -1.105 53.762 54.840 0.044 0.000 0.828 425 L CB 2.259 44.351 42.059 0.054 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.457 115.055 114.554 0.074 0.000 2.841 426 T HA 0.275 4.625 4.350 0.000 0.000 0.283 426 T C -0.246 174.529 174.700 0.124 0.000 1.000 426 T CA -0.674 61.480 62.100 0.089 0.000 0.977 426 T CB 1.788 70.701 68.868 0.075 0.000 0.979 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.167 122.664 120.400 0.161 0.000 2.469 427 K HA 0.323 4.643 4.320 0.000 0.000 0.274 427 K C -0.709 175.954 176.600 0.105 0.000 0.983 427 K CA 0.134 56.533 56.287 0.187 0.000 0.974 427 K CB 0.469 33.141 32.500 0.286 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.590 123.546 119.914 0.069 0.000 2.971 428 V HA 0.412 4.532 4.120 0.000 0.000 0.309 428 V C -0.685 175.342 176.094 -0.112 0.000 1.130 428 V CA -0.913 61.421 62.300 0.056 0.000 0.964 428 V CB 2.477 34.448 31.823 0.246 0.000 1.029 428 V HN 0.700 nan 8.190 nan 0.000 0.427 429 K N 4.005 124.321 120.400 -0.139 0.000 2.375 429 K HA 0.613 4.933 4.320 0.000 0.000 0.249 429 K C -2.795 173.594 176.600 -0.352 0.000 0.942 429 K CA -1.721 54.401 56.287 -0.275 0.000 0.806 429 K CB 2.914 35.305 32.500 -0.182 0.000 1.227 429 K HN 0.384 nan 8.250 nan 0.000 0.430 430 P HA 0.162 nan 4.420 nan 0.000 0.282 430 P C -1.300 175.911 177.300 -0.149 0.000 1.287 430 P CA -0.386 62.441 63.100 -0.455 0.000 0.792 430 P CB 0.464 31.869 31.700 -0.492 0.000 1.163 431 K N -1.475 118.904 120.400 -0.036 0.000 6.365 431 K HA -0.097 4.223 4.320 0.000 0.000 0.786 431 K C 0.105 176.719 176.600 0.024 0.000 2.401 431 K CA 0.572 56.858 56.287 -0.002 0.000 1.752 431 K CB -2.056 30.422 32.500 -0.036 0.000 2.498 431 K HN 0.827 nan 8.250 nan 0.000 0.213 432 T N -0.349 114.230 114.554 0.043 0.000 6.178 432 T HA -0.106 4.244 4.350 0.000 0.000 0.277 432 T C 0.866 175.602 174.700 0.060 0.000 2.183 432 T CA 1.268 63.393 62.100 0.043 0.000 3.733 432 T CB -1.205 67.686 68.868 0.037 0.000 0.719 432 T HN 0.967 nan 8.240 nan 0.000 0.455 433 G N 2.278 111.137 108.800 0.098 0.000 3.448 433 G HA2 0.421 4.381 3.960 0.000 0.000 0.261 433 G HA3 0.421 4.381 3.960 0.000 0.000 0.261 433 G C 0.245 175.197 174.900 0.087 0.000 1.173 433 G CA -0.145 45.012 45.100 0.096 0.000 0.835 433 G HN 0.669 nan 8.290 nan 0.000 0.534 434 Q N 0.411 120.259 119.800 0.080 0.000 2.454 434 Q HA 0.238 4.578 4.340 0.000 0.000 0.247 434 Q C -0.510 175.514 176.000 0.040 0.000 1.028 434 Q CA -0.147 55.696 55.803 0.066 0.000 0.910 434 Q CB 1.162 29.934 28.738 0.057 0.000 1.276 434 Q HN 0.271 nan 8.270 nan 0.000 0.489 435 E N 1.950 122.170 120.200 0.032 0.000 2.417 435 E HA -0.059 4.291 4.350 0.000 0.000 0.261 435 E C -0.658 175.972 176.600 0.051 0.000 1.000 435 E CA -0.163 56.261 56.400 0.039 0.000 0.919 435 E CB 0.122 29.838 29.700 0.026 0.000 0.955 435 E HN 0.467 nan 8.360 nan 0.000 0.455 436 N N 1.548 120.302 118.700 0.090 0.000 2.699 436 N HA -0.138 4.602 4.740 0.000 0.000 0.257 436 N C -0.610 174.982 175.510 0.137 0.000 1.077 436 N CA 1.109 54.241 53.050 0.137 0.000 0.702 436 N CB -1.288 37.236 38.487 0.062 0.000 0.886 436 N HN 0.649 nan 8.380 nan 0.000 0.549 437 G N -0.875 108.071 108.800 0.243 0.000 2.452 437 G HA2 0.651 4.611 3.960 0.000 0.000 0.324 437 G HA3 0.651 4.611 3.960 0.000 0.000 0.324 437 G C -0.920 174.314 174.900 0.557 0.000 1.214 437 G CA -0.612 44.639 45.100 0.251 0.000 0.947 437 G HN 0.166 nan 8.290 nan 0.000 0.478 438 W N 0.318 121.616 121.300 -0.003 0.000 2.761 438 W HA 0.648 5.308 4.660 0.000 0.000 0.340 438 W C 0.128 176.645 176.519 -0.004 0.000 1.072 438 W CA -1.130 56.212 57.345 -0.004 0.000 1.215 438 W CB 1.661 31.120 29.460 -0.002 0.000 1.420 438 W HN 0.487 nan 8.180 nan 0.000 0.519 439 E N 0.804 121.115 120.200 0.184 0.000 2.359 439 E HA 0.381 4.731 4.350 0.000 0.000 0.266 439 E C -0.660 175.983 176.600 0.072 0.000 0.920 439 E CA -1.187 55.275 56.400 0.103 0.000 0.788 439 E CB 2.453 32.185 29.700 0.054 0.000 1.279 439 E HN 0.148 nan 8.360 nan 0.000 0.438 440 K N 1.081 121.514 120.400 0.056 0.000 2.380 440 K HA 0.039 4.359 4.320 0.000 0.000 0.267 440 K C -0.370 176.236 176.600 0.010 0.000 0.990 440 K CA -0.006 56.307 56.287 0.043 0.000 0.946 440 K CB 0.360 32.885 32.500 0.041 0.000 0.937 440 K HN 0.353 nan 8.250 nan 0.000 0.491 441 D N 0.636 121.037 120.400 0.001 0.000 2.210 441 D HA 0.179 4.819 4.640 0.000 0.000 0.249 441 D C 0.185 176.473 176.300 -0.019 0.000 1.078 441 D CA -0.129 53.846 54.000 -0.042 0.000 0.875 441 D CB 1.768 42.510 40.800 -0.096 0.000 1.175 441 D HN 0.539 nan 8.370 nan 0.000 0.440 442 A N 2.346 125.146 122.820 -0.033 0.000 1.984 442 A HA -0.034 4.286 4.320 0.000 0.000 0.214 442 A C 1.464 179.042 177.584 -0.010 0.000 1.173 442 A CA 0.900 52.929 52.037 -0.014 0.000 0.673 442 A CB -0.319 18.671 19.000 -0.017 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.023 114.551 114.554 -0.044 0.000 3.500 443 T HA 0.231 4.581 4.350 0.000 0.000 0.244 443 T C 0.063 174.775 174.700 0.020 0.000 0.962 443 T CA -0.273 61.806 62.100 -0.034 0.000 0.932 443 T CB -0.827 67.989 68.868 -0.087 0.000 1.096 443 T HN 0.505 nan 8.240 nan 0.000 0.617 444 E N 0.594 120.846 120.200 0.087 0.000 2.458 444 E HA 0.140 4.490 4.350 0.000 0.000 0.264 444 E C -0.544 176.241 176.600 0.309 0.000 1.097 444 E CA -0.052 56.501 56.400 0.254 0.000 0.973 444 E CB 0.037 29.834 29.700 0.162 0.000 0.963 444 E HN 0.420 nan 8.360 nan 0.000 0.451 445 F N 0.180 120.126 119.950 -0.008 0.000 2.744 445 F HA -0.226 4.301 4.527 0.000 0.000 0.377 445 F C 0.513 176.310 175.800 -0.004 0.000 1.069 445 F CA 0.561 58.557 58.000 -0.006 0.000 1.211 445 F CB -2.051 36.945 39.000 -0.006 0.000 1.606 445 F HN 0.380 nan 8.300 nan 0.000 0.781 446 S N 0.393 116.125 115.700 0.054 0.000 2.599 446 S HA -0.006 4.464 4.470 0.000 0.000 0.303 446 S C 1.354 175.980 174.600 0.044 0.000 1.267 446 S CA 0.025 58.245 58.200 0.032 0.000 1.055 446 S CB 0.776 63.967 63.200 -0.014 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.599 122.027 120.400 0.047 0.000 2.403 447 D HA -0.116 4.524 4.640 0.000 0.000 0.227 447 D C -0.040 176.278 176.300 0.030 0.000 0.995 447 D CA 0.742 54.771 54.000 0.049 0.000 0.928 447 D CB -0.215 40.610 40.800 0.041 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.770 121.176 120.400 0.010 0.000 2.530 448 K HA 0.292 4.612 4.320 0.000 0.000 0.230 448 K C -0.884 175.701 176.600 -0.025 0.000 1.002 448 K CA -0.641 55.643 56.287 -0.005 0.000 1.014 448 K CB 0.944 33.437 32.500 -0.013 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.031 120.720 118.700 -0.018 0.000 2.314 449 N HA 0.206 4.946 4.740 0.000 0.000 0.294 449 N C -1.028 174.471 175.510 -0.019 0.000 1.029 449 N CA -0.732 52.294 53.050 -0.040 0.000 0.845 449 N CB 1.850 40.306 38.487 -0.051 0.000 1.321 449 N HN 0.315 nan 8.380 nan 0.000 0.481 450 E N 1.434 121.620 120.200 -0.023 0.000 2.105 450 E HA 0.421 4.771 4.350 0.000 0.000 0.285 450 E C -0.360 176.248 176.600 0.012 0.000 1.055 450 E CA 0.043 56.443 56.400 0.001 0.000 0.843 450 E CB 0.677 30.381 29.700 0.007 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.702 123.284 120.570 0.020 0.000 2.498 451 I HA 0.384 4.554 4.170 0.000 0.000 0.290 451 I C -0.281 175.855 176.117 0.032 0.000 1.032 451 I CA -1.273 60.042 61.300 0.026 0.000 1.073 451 I CB 1.809 39.826 38.000 0.028 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.587 126.108 120.500 0.035 0.000 2.297 452 R HA 0.539 4.879 4.340 0.000 0.000 0.308 452 R C -1.615 174.705 176.300 0.033 0.000 1.029 452 R CA -0.284 55.839 56.100 0.038 0.000 0.929 452 R CB 1.135 31.462 30.300 0.044 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.529 125.463 119.914 0.034 0.000 2.347 453 V HA 0.792 4.912 4.120 0.000 0.000 0.280 453 V C 0.732 176.845 176.094 0.032 0.000 1.021 453 V CA 0.488 62.806 62.300 0.031 0.000 0.847 453 V CB 0.419 32.260 31.823 0.030 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.097 113.913 108.800 0.027 0.000 2.483 454 G HA2 -0.143 3.817 3.960 0.000 0.000 0.521 454 G HA3 -0.143 3.817 3.960 0.000 0.000 0.521 454 G C -0.702 174.214 174.900 0.025 0.000 1.278 454 G CA -0.823 44.293 45.100 0.027 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.958 119.673 118.700 0.025 0.000 2.424 455 N HA 0.326 5.066 4.740 0.000 0.000 0.257 455 N C 0.838 176.378 175.510 0.049 0.000 1.250 455 N CA 0.326 53.387 53.050 0.018 0.000 0.946 455 N CB 0.290 38.778 38.487 0.001 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.431 118.299 118.700 0.050 0.000 2.317 456 N HA 0.065 4.805 4.740 0.000 0.000 0.245 456 N C -0.603 175.018 175.510 0.186 0.000 1.294 456 N CA -0.285 52.833 53.050 0.113 0.000 0.924 456 N CB 0.145 38.688 38.487 0.092 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.330 119.666 119.950 0.077 0.000 2.438 457 F HA 0.567 5.094 4.527 0.000 0.000 0.356 457 F C -0.208 175.634 175.800 0.071 0.000 1.099 457 F CA -0.875 57.161 58.000 0.060 0.000 1.185 457 F CB -0.107 38.926 39.000 0.054 0.000 1.115 457 F HN 0.719 nan 8.300 nan 0.000 0.526 458 A N 7.535 129.949 122.820 -0.677 0.000 2.475 458 A HA 0.826 5.146 4.320 0.000 0.000 0.301 458 A C -1.234 175.920 177.584 -0.718 0.000 1.059 458 A CA -0.885 50.752 52.037 -0.667 0.000 0.710 458 A CB 1.529 20.221 19.000 -0.513 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.337 120.625 119.600 -0.520 0.000 2.465 459 M HA 0.471 4.951 4.480 0.000 0.000 0.316 459 M C -0.381 175.841 176.300 -0.131 0.000 1.121 459 M CA -0.217 54.905 55.300 -0.297 0.000 0.934 459 M CB 1.666 34.122 32.600 -0.239 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.271 122.432 120.200 -0.064 0.000 2.207 460 E HA 0.781 5.131 4.350 0.000 0.000 0.270 460 E C -1.773 174.738 176.600 -0.148 0.000 0.927 460 E CA -0.634 55.703 56.400 -0.105 0.000 0.799 460 E CB 2.574 32.229 29.700 -0.075 0.000 1.172 460 E HN 0.728 nan 8.360 nan 0.000 0.404 461 I N 3.063 123.515 120.570 -0.197 0.000 2.722 461 I HA 0.278 4.448 4.170 0.000 0.000 0.292 461 I C -1.761 174.260 176.117 -0.160 0.000 1.267 461 I CA -0.808 60.402 61.300 -0.150 0.000 1.036 461 I CB 2.004 39.941 38.000 -0.104 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.485 126.108 118.700 -0.128 0.000 2.602 462 N HA 0.230 4.970 4.740 0.000 0.000 0.238 462 N C 0.689 176.167 175.510 -0.053 0.000 1.084 462 N CA -0.022 52.968 53.050 -0.101 0.000 0.952 462 N CB 0.778 39.213 38.487 -0.086 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.352 124.541 121.223 -0.055 0.000 1.956 463 L HA -0.247 4.093 4.340 0.000 0.000 0.216 463 L C 1.734 178.613 176.870 0.014 0.000 1.073 463 L CA 1.563 56.391 54.840 -0.020 0.000 0.762 463 L CB -0.251 41.792 42.059 -0.026 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.858 117.847 118.700 0.008 0.000 2.149 464 N HA -0.208 4.532 4.740 0.000 0.000 0.188 464 N C 1.759 177.323 175.510 0.090 0.000 1.019 464 N CA 1.081 54.150 53.050 0.032 0.000 0.857 464 N CB -0.148 38.336 38.487 -0.004 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.251 124.119 122.820 0.081 0.000 1.930 465 A HA -0.122 4.198 4.320 0.000 0.000 0.217 465 A C 1.985 179.665 177.584 0.161 0.000 1.175 465 A CA 1.117 53.241 52.037 0.145 0.000 0.627 465 A CB -0.375 18.678 19.000 0.088 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.084 118.841 118.700 0.095 0.000 2.058 466 N HA -0.104 4.636 4.740 0.000 0.000 0.191 466 N C 1.793 177.377 175.510 0.123 0.000 1.037 466 N CA 1.428 54.526 53.050 0.080 0.000 0.848 466 N CB -0.376 38.136 38.487 0.041 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.119 121.428 121.223 0.142 0.000 2.042 467 L HA -0.186 4.154 4.340 0.000 0.000 0.210 467 L C 2.437 179.487 176.870 0.300 0.000 1.076 467 L CA 1.182 56.131 54.840 0.182 0.000 0.749 467 L CB -0.345 41.800 42.059 0.144 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.948 122.285 121.300 0.062 0.000 2.355 468 W HA -0.278 4.382 4.660 0.000 0.000 0.309 468 W C 2.729 179.341 176.519 0.155 0.000 1.206 468 W CA 1.197 58.591 57.345 0.081 0.000 1.284 468 W CB -0.076 29.399 29.460 0.024 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.635 121.181 120.500 0.078 0.000 2.083 469 R HA -0.193 4.147 4.340 0.000 0.000 0.237 469 R C 2.098 178.389 176.300 -0.016 0.000 1.137 469 R CA 2.023 58.071 56.100 -0.087 0.000 0.951 469 R CB -0.776 29.513 30.300 -0.019 0.000 0.851 469 R HN 0.240 nan 8.270 nan 0.000 0.434 470 N N -0.379 118.369 118.700 0.079 0.000 2.149 470 N HA -0.209 4.531 4.740 0.000 0.000 0.188 470 N C 1.656 177.255 175.510 0.149 0.000 1.019 470 N CA 1.365 54.485 53.050 0.116 0.000 0.857 470 N CB -0.171 38.393 38.487 0.128 0.000 0.997 470 N HN 0.170 nan 8.380 nan 0.000 0.426 471 F N 2.085 122.054 119.950 0.032 0.000 2.113 471 F HA -0.061 4.466 4.527 0.000 0.000 0.297 471 F C 2.116 177.874 175.800 -0.071 0.000 1.103 471 F CA 0.995 59.014 58.000 0.032 0.000 1.248 471 F CB -0.358 38.699 39.000 0.095 0.000 0.999 471 F HN -0.089 nan 8.300 nan 0.000 0.475 472 L N -1.055 120.016 121.223 -0.253 0.000 2.046 472 L HA -0.239 4.101 4.340 0.000 0.000 0.208 472 L C 2.387 179.125 176.870 -0.219 0.000 1.077 472 L CA 1.779 56.390 54.840 -0.381 0.000 0.747 472 L CB -1.013 40.760 42.059 -0.477 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.263 119.913 120.300 -0.207 0.000 2.200 473 Y HA -0.272 4.278 4.550 0.000 0.000 0.290 473 Y C 2.987 178.826 175.900 -0.101 0.000 1.137 473 Y CA 1.752 59.768 58.100 -0.139 0.000 1.163 473 Y CB -0.004 38.389 38.460 -0.111 0.000 0.988 473 Y HN 0.114 nan 8.280 nan 0.000 0.518 474 S N -0.023 115.644 115.700 -0.056 0.000 2.368 474 S HA -0.166 4.304 4.470 0.000 0.000 0.224 474 S C 1.691 176.312 174.600 0.034 0.000 1.029 474 S CA 1.708 59.877 58.200 -0.052 0.000 0.988 474 S CB -0.367 62.869 63.200 0.059 0.000 0.838 474 S HN 0.612 nan 8.310 nan 0.000 0.462 475 N N 0.083 118.731 118.700 -0.087 0.000 2.409 475 N HA 0.244 4.984 4.740 0.000 0.000 0.174 475 N C 1.511 177.053 175.510 0.052 0.000 1.037 475 N CA 0.878 53.937 53.050 0.015 0.000 0.898 475 N CB 0.227 38.469 38.487 -0.408 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.295 120.806 120.570 -0.099 0.000 3.345 476 I HA 0.120 4.290 4.170 0.000 0.000 0.258 476 I C 2.264 178.350 176.117 -0.052 0.000 1.134 476 I CA 0.178 61.445 61.300 -0.056 0.000 1.457 476 I CB -0.314 37.615 38.000 -0.119 0.000 1.425 476 I HN -0.137 nan 8.210 nan 0.000 0.461 477 A N 1.765 124.484 122.820 -0.168 0.000 1.859 477 A HA -0.237 4.083 4.320 0.000 0.000 0.218 477 A C 2.234 179.623 177.584 -0.325 0.000 1.209 477 A CA 1.882 53.772 52.037 -0.246 0.000 0.639 477 A CB -1.259 17.530 19.000 -0.352 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.305 118.618 121.223 -0.500 0.000 2.349 478 L HA -0.185 4.155 4.340 0.000 0.000 0.220 478 L C 1.917 178.506 176.870 -0.469 0.000 1.130 478 L CA 0.996 55.520 54.840 -0.528 0.000 0.791 478 L CB -0.360 41.320 42.059 -0.632 0.000 0.918 478 L HN 0.544 nan 8.230 nan 0.000 0.444 479 Y N -0.975 119.195 120.300 -0.217 0.000 2.457 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.263 479 Y C 1.064 176.901 175.900 -0.104 0.000 1.164 479 Y CA -0.590 57.428 58.100 -0.137 0.000 1.274 479 Y CB 0.078 38.491 38.460 -0.079 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.694 122.898 121.223 -0.030 0.000 2.483 480 L HA 0.053 4.393 4.340 0.000 0.000 0.275 480 L C -1.912 174.917 176.870 -0.069 0.000 1.220 480 L CA -1.750 53.059 54.840 -0.052 0.000 0.833 480 L CB 0.142 42.132 42.059 -0.115 0.000 1.102 480 L HN -0.076 nan 8.230 nan 0.000 0.490 481 P HA -0.067 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.187 177.300 -0.072 0.000 1.193 481 P CA 0.078 63.153 63.100 -0.042 0.000 0.770 481 P CB 0.491 32.171 31.700 -0.033 0.000 0.836 482 D N 2.450 122.833 120.400 -0.028 0.000 2.221 482 D HA -0.191 4.449 4.640 0.000 0.000 0.204 482 D C 1.603 177.889 176.300 -0.024 0.000 0.982 482 D CA 1.322 55.311 54.000 -0.019 0.000 0.857 482 D CB -0.028 40.815 40.800 0.071 0.000 0.934 482 D HN 0.427 nan 8.370 nan 0.000 0.475 483 K N -0.049 120.336 120.400 -0.025 0.000 2.280 483 K HA -0.104 4.216 4.320 0.000 0.000 0.202 483 K C 1.730 178.297 176.600 -0.055 0.000 1.047 483 K CA 0.890 57.163 56.287 -0.022 0.000 0.942 483 K CB -0.273 32.220 32.500 -0.013 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.634 121.788 121.223 -0.115 0.000 2.592 484 L HA 0.138 4.478 4.340 0.000 0.000 0.227 484 L C 0.703 177.532 176.870 -0.069 0.000 1.127 484 L CA 0.025 54.781 54.840 -0.140 0.000 0.884 484 L CB 0.036 41.926 42.059 -0.282 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.053 120.308 120.400 -0.066 0.000 2.240 485 K HA 0.513 4.833 4.320 0.000 0.000 0.237 485 K C -1.164 175.453 176.600 0.028 0.000 1.027 485 K CA -0.659 55.579 56.287 -0.083 0.000 0.937 485 K CB 1.410 33.795 32.500 -0.193 0.000 1.171 485 K HN -0.124 nan 8.250 nan 0.000 0.479 486 Y N -3.098 117.129 120.300 -0.120 0.000 2.552 486 Y HA 0.399 4.949 4.550 0.000 0.000 0.337 486 Y C -0.906 174.922 175.900 -0.120 0.000 1.094 486 Y CA -1.189 56.850 58.100 -0.102 0.000 1.028 486 Y CB 1.016 39.423 38.460 -0.088 0.000 1.321 486 Y HN 0.321 nan 8.280 nan 0.000 0.456 487 S N 4.723 120.446 115.700 0.037 0.000 2.564 487 S HA 0.309 4.779 4.470 0.000 0.000 0.278 487 S C -2.356 172.260 174.600 0.027 0.000 1.333 487 S CA -0.834 57.333 58.200 -0.055 0.000 1.048 487 S CB 0.277 63.472 63.200 -0.008 0.000 0.900 487 S HN 0.567 nan 8.310 nan 0.000 0.505 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.763 176.556 177.300 0.031 0.000 1.238 488 P CA -0.537 62.562 63.100 -0.002 0.000 0.794 488 P CB 0.730 32.397 31.700 -0.055 0.000 0.955 489 S N 1.362 117.096 115.700 0.056 0.000 2.562 489 S HA 0.240 4.710 4.470 0.000 0.000 0.275 489 S C 0.588 175.173 174.600 -0.025 0.000 1.281 489 S CA -0.567 57.646 58.200 0.022 0.000 1.045 489 S CB -0.049 63.171 63.200 0.034 0.000 0.962 489 S HN 0.553 nan 8.310 nan 0.000 0.503 490 N N -1.108 117.572 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.610 4.740 0.000 0.000 0.250 490 N C -0.948 174.530 175.510 -0.053 0.000 1.078 490 N CA 0.958 53.975 53.050 -0.055 0.000 0.804 490 N CB -1.643 36.785 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.647 120.539 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 4.120 0.000 0.000 0.307 491 V C 0.447 176.528 176.094 -0.022 0.000 1.051 491 V CA -0.964 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.477 34.284 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.326 124.716 120.400 -0.016 0.000 2.379 492 K HA 0.539 4.859 4.320 0.000 0.000 0.284 492 K C -0.677 175.914 176.600 -0.014 0.000 1.044 492 K CA 0.057 56.338 56.287 -0.009 0.000 0.974 492 K CB 1.174 33.672 32.500 -0.004 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.185 121.752 120.570 -0.006 0.000 2.619 493 I HA 0.115 4.285 4.170 0.000 0.000 0.292 493 I C -0.169 175.978 176.117 0.050 0.000 1.100 493 I CA -0.504 60.794 61.300 -0.004 0.000 1.043 493 I CB 2.064 40.040 38.000 -0.040 0.000 1.239 493 I HN 0.622 nan 8.210 nan 0.000 0.420 494 S N 3.801 119.545 115.700 0.072 0.000 2.566 494 S HA -0.003 4.467 4.470 0.000 0.000 0.280 494 S C 0.533 175.203 174.600 0.116 0.000 1.343 494 S CA 0.460 58.711 58.200 0.085 0.000 1.036 494 S CB 0.660 63.907 63.200 0.078 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.108 121.529 120.400 0.035 0.000 2.305 495 D HA 0.107 4.747 4.640 0.000 0.000 0.206 495 D C 0.118 176.346 176.300 -0.120 0.000 0.974 495 D CA 0.385 54.378 54.000 -0.012 0.000 0.871 495 D CB 0.014 40.807 40.800 -0.012 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.038 119.666 118.700 -0.120 0.000 2.406 496 N HA 0.060 4.800 4.740 0.000 0.000 0.251 496 N C -1.880 173.401 175.510 -0.381 0.000 1.069 496 N CA -1.791 51.148 53.050 -0.185 0.000 0.947 496 N CB 1.424 39.859 38.487 -0.086 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.009 nan 4.420 nan 0.000 0.237 497 P C -0.070 177.048 177.300 -0.303 0.000 1.178 497 P CA 0.662 63.210 63.100 -0.920 0.000 0.766 497 P CB 0.493 31.747 31.700 -0.743 0.000 0.876 498 N N -0.651 117.952 118.700 -0.162 0.000 2.336 498 N HA 0.037 4.777 4.740 0.000 0.000 0.189 498 N C 0.463 175.970 175.510 -0.007 0.000 1.113 498 N CA 0.423 53.445 53.050 -0.046 0.000 0.858 498 N CB -0.031 38.436 38.487 -0.032 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.015 114.536 114.554 -0.004 0.000 2.913 499 T HA 0.064 4.414 4.350 0.000 0.000 0.287 499 T C 1.056 175.811 174.700 0.092 0.000 1.008 499 T CA -0.384 61.748 62.100 0.052 0.000 1.067 499 T CB 1.353 70.250 68.868 0.049 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.015 122.299 120.300 -0.026 0.000 2.220 500 Y HA -0.108 4.442 4.550 0.000 0.000 0.291 500 Y C 2.235 178.089 175.900 -0.077 0.000 1.129 500 Y CA 1.968 60.030 58.100 -0.063 0.000 1.161 500 Y CB -0.154 38.255 38.460 -0.086 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.874 119.523 120.400 -0.005 0.000 2.133 501 D HA -0.317 4.323 4.640 0.000 0.000 0.195 501 D C 2.033 178.226 176.300 -0.178 0.000 0.997 501 D CA 1.845 55.776 54.000 -0.115 0.000 0.840 501 D CB -0.540 40.265 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.340 120.525 120.300 -0.191 0.000 2.163 502 Y HA -0.112 4.438 4.550 0.000 0.000 0.288 502 Y C 2.131 177.880 175.900 -0.251 0.000 1.136 502 Y CA 1.616 59.608 58.100 -0.181 0.000 1.147 502 Y CB -0.142 38.248 38.460 -0.116 0.000 0.987 502 Y HN -0.003 nan 8.280 nan 0.000 0.509 503 M N -0.211 119.297 119.600 -0.153 0.000 2.460 503 M HA -0.132 4.348 4.480 0.000 0.000 0.263 503 M C 1.521 177.523 176.300 -0.497 0.000 1.071 503 M CA 1.561 56.688 55.300 -0.289 0.000 1.096 503 M CB -0.326 32.153 32.600 -0.202 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.739 119.051 118.700 -0.647 0.000 2.409 504 N HA -0.018 4.722 4.740 0.000 0.000 0.174 504 N C 1.276 176.392 175.510 -0.656 0.000 1.037 504 N CA 0.907 53.506 53.050 -0.752 0.000 0.898 504 N CB 0.306 38.147 38.487 -1.076 0.000 1.010 504 N HN 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.593 119.483 120.400 -0.540 0.000 2.348 505 K HA 0.202 4.522 4.320 0.000 0.000 0.194 505 K C -0.065 176.313 176.600 -0.371 0.000 1.052 505 K CA -0.240 55.805 56.287 -0.402 0.000 1.004 505 K CB 0.502 32.820 32.500 -0.303 0.000 0.873 505 K HN -0.022 nan 8.250 nan 0.000 0.523 506 R N 1.961 122.160 120.500 -0.500 0.000 2.502 506 R HA 0.011 4.351 4.340 0.000 0.000 0.292 506 R C -0.218 175.820 176.300 -0.436 0.000 0.998 506 R CA 0.130 55.919 56.100 -0.518 0.000 1.056 506 R CB 0.602 30.530 30.300 -0.620 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.920 123.512 119.914 -0.536 0.000 2.539 507 V HA 0.453 4.573 4.120 0.000 0.000 0.292 507 V C -0.519 175.232 176.094 -0.572 0.000 1.045 507 V CA -0.623 61.347 62.300 -0.550 0.000 0.945 507 V CB 1.893 33.318 31.823 -0.662 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.829 126.580 119.914 -0.272 0.000 2.604 508 V HA 0.875 4.995 4.120 0.000 0.000 0.305 508 V C 0.387 176.511 176.094 0.050 0.000 1.043 508 V CA -0.074 62.148 62.300 -0.129 0.000 0.888 508 V CB 1.670 33.403 31.823 -0.151 0.000 0.995 508 V HN 1.491 nan 8.190 nan 0.000 0.429 509 A N 7.248 130.114 122.820 0.078 0.000 2.454 509 A HA 0.552 4.872 4.320 0.000 0.000 0.260 509 A C -1.659 175.987 177.584 0.104 0.000 1.106 509 A CA -0.966 51.118 52.037 0.079 0.000 0.780 509 A CB 0.263 19.284 19.000 0.035 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.121 nan 4.420 nan 0.000 0.218 510 P C 1.589 178.912 177.300 0.039 0.000 1.148 510 P CA 1.703 64.856 63.100 0.087 0.000 0.822 510 P CB 0.203 31.831 31.700 -0.121 0.000 0.784 511 G N -0.759 108.062 108.800 0.034 0.000 2.586 511 G HA2 -0.180 3.780 3.960 0.000 0.000 0.215 511 G HA3 -0.180 3.780 3.960 0.000 0.000 0.215 511 G C 1.280 176.220 174.900 0.066 0.000 1.128 511 G CA 0.252 45.388 45.100 0.061 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.364 120.890 121.223 0.051 0.000 2.240 512 L HA 0.111 4.451 4.340 0.000 0.000 0.211 512 L C 0.592 177.504 176.870 0.071 0.000 1.106 512 L CA 0.403 55.286 54.840 0.072 0.000 0.793 512 L CB 0.341 42.424 42.059 0.040 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.892 119.027 119.914 0.008 0.000 2.502 513 V HA 0.225 4.345 4.120 0.000 0.000 0.261 513 V C -0.506 175.494 176.094 -0.157 0.000 0.996 513 V CA -0.605 61.669 62.300 -0.044 0.000 1.095 513 V CB 0.801 32.595 31.823 -0.048 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.580 120.812 120.400 -0.280 0.000 2.387 514 D HA 0.155 4.795 4.640 0.000 0.000 0.251 514 D C 1.435 177.425 176.300 -0.518 0.000 1.141 514 D CA -0.100 53.613 54.000 -0.479 0.000 0.987 514 D CB 2.272 42.588 40.800 -0.806 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.527 119.587 119.300 -0.400 0.000 2.421 515 C HA -0.099 4.361 4.460 0.000 0.000 0.296 515 C C 1.655 176.710 174.990 0.107 0.000 1.470 515 C CA -0.104 58.840 59.018 -0.124 0.000 1.779 515 C CB -2.316 25.513 27.740 0.148 0.000 1.715 515 C HN 0.565 nan 8.230 nan 0.000 0.564 516 Y N -1.363 119.025 120.300 0.147 0.000 2.607 516 Y HA 0.618 5.168 4.550 0.000 0.000 0.266 516 Y C 0.555 176.512 175.900 0.096 0.000 1.178 516 Y CA -2.391 55.781 58.100 0.120 0.000 1.226 516 Y CB -1.142 37.362 38.460 0.074 0.000 1.144 516 Y HN 0.151 nan 8.280 nan 0.000 0.528 517 I N 3.019 123.638 120.570 0.081 0.000 2.517 517 I HA 0.105 4.275 4.170 0.000 0.000 0.285 517 I C 0.373 176.579 176.117 0.150 0.000 1.106 517 I CA 0.160 61.535 61.300 0.126 0.000 1.402 517 I CB -0.151 37.880 38.000 0.052 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.590 124.360 118.700 0.117 0.000 2.698 518 N HA -0.236 4.504 4.740 0.000 0.000 0.258 518 N C -0.322 175.238 175.510 0.084 0.000 0.978 518 N CA 0.562 53.647 53.050 0.059 0.000 0.777 518 N CB -0.865 37.659 38.487 0.062 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.075 121.354 121.223 0.094 0.000 2.540 519 L HA 0.031 4.371 4.340 0.000 0.000 0.276 519 L C 1.662 178.566 176.870 0.056 0.000 1.212 519 L CA 1.219 56.119 54.840 0.100 0.000 0.893 519 L CB 0.174 42.293 42.059 0.100 0.000 1.138 519 L HN 0.623 nan 8.230 nan 0.000 0.491 520 G N 2.494 111.332 108.800 0.063 0.000 2.148 520 G HA2 -0.207 3.753 3.960 0.000 0.000 0.254 520 G HA3 -0.207 3.753 3.960 0.000 0.000 0.254 520 G C 0.096 175.025 174.900 0.048 0.000 0.981 520 G CA 0.111 45.239 45.100 0.046 0.000 0.670 520 G HN 1.015 nan 8.290 nan 0.000 0.528 521 A N -0.722 122.139 122.820 0.068 0.000 2.354 521 A HA 0.911 5.231 4.320 0.000 0.000 0.321 521 A C 0.189 177.860 177.584 0.144 0.000 1.125 521 A CA -0.179 51.909 52.037 0.084 0.000 0.799 521 A CB 1.134 20.160 19.000 0.043 0.000 1.293 521 A HN 0.764 nan 8.150 nan 0.000 0.452 522 R N 1.468 122.070 120.500 0.169 0.000 2.287 522 R HA 0.371 4.711 4.340 0.000 0.000 0.316 522 R C -1.627 174.845 176.300 0.286 0.000 1.050 522 R CA -0.198 56.006 56.100 0.172 0.000 0.983 522 R CB 0.534 30.900 30.300 0.109 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.193 125.503 121.300 0.017 0.000 3.259 523 W HA 0.223 4.883 4.660 0.000 0.000 0.331 523 W C -1.278 175.237 176.519 -0.006 0.000 1.144 523 W CA -0.612 56.734 57.345 0.001 0.000 1.227 523 W CB 2.145 31.610 29.460 0.009 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.835 120.266 115.700 -0.448 0.000 2.537 524 S HA 0.511 4.981 4.470 0.000 0.000 0.275 524 S C -0.124 174.230 174.600 -0.410 0.000 1.272 524 S CA -0.670 57.316 58.200 -0.356 0.000 1.050 524 S CB 1.439 64.401 63.200 -0.397 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.988 124.152 121.223 -0.098 0.000 2.499 525 L HA 0.061 4.401 4.340 0.000 0.000 0.273 525 L C 1.089 177.921 176.870 -0.063 0.000 1.195 525 L CA -0.371 54.488 54.840 0.032 0.000 0.882 525 L CB 0.097 42.226 42.059 0.118 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.883 122.257 120.400 -0.044 0.000 2.190 526 D HA -0.216 4.424 4.640 0.000 0.000 0.200 526 D C 1.747 178.019 176.300 -0.047 0.000 0.992 526 D CA 1.698 55.640 54.000 -0.096 0.000 0.854 526 D CB 0.032 40.778 40.800 -0.090 0.000 0.936 526 D HN 0.509 nan 8.370 nan 0.000 0.462 527 Y N -0.174 120.156 120.300 0.051 0.000 2.293 527 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 527 Y C 2.251 178.166 175.900 0.024 0.000 1.137 527 Y CA 0.675 58.802 58.100 0.045 0.000 1.202 527 Y CB -0.194 38.294 38.460 0.047 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.821 118.864 119.600 0.142 0.000 2.509 528 M HA -0.022 4.458 4.480 0.000 0.000 0.250 528 M C 1.012 177.307 176.300 -0.008 0.000 1.132 528 M CA 0.541 55.868 55.300 0.046 0.000 1.080 528 M CB -0.621 31.968 32.600 -0.018 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.684 122.064 120.400 -0.033 0.000 2.133 529 D HA -0.149 4.491 4.640 0.000 0.000 0.195 529 D C 1.080 177.483 176.300 0.171 0.000 0.997 529 D CA 1.235 55.186 54.000 -0.081 0.000 0.840 529 D CB -0.191 40.511 40.800 -0.164 0.000 0.947 529 D HN 0.304 nan 8.370 nan 0.000 0.452 530 N N -0.155 118.691 118.700 0.244 0.000 2.313 530 N HA 0.044 4.784 4.740 0.000 0.000 0.207 530 N C -0.576 175.150 175.510 0.361 0.000 1.141 530 N CA 0.003 53.261 53.050 0.345 0.000 0.830 530 N CB 0.940 39.565 38.487 0.230 0.000 1.008 530 N HN -0.002 nan 8.380 nan 0.000 0.481 531 V N 1.542 121.579 119.914 0.205 0.000 2.439 531 V HA 0.136 4.256 4.120 0.000 0.000 0.282 531 V C 0.578 176.558 176.094 -0.191 0.000 1.039 531 V CA -1.173 61.179 62.300 0.088 0.000 0.913 531 V CB 1.430 33.281 31.823 0.046 0.000 0.983 531 V HN 0.193 nan 8.190 nan 0.000 0.460 532 N N 7.807 126.287 118.700 -0.368 0.000 2.386 532 N HA 0.006 4.746 4.740 0.000 0.000 0.273 532 N C -1.157 174.079 175.510 -0.457 0.000 1.331 532 N CA -1.046 51.475 53.050 -0.882 0.000 0.891 532 N CB 1.302 39.639 38.487 -0.248 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.062 nan 4.420 nan 0.000 0.229 533 P C 0.844 177.849 177.300 -0.493 0.000 1.160 533 P CA 0.910 63.630 63.100 -0.635 0.000 0.777 533 P CB 0.017 31.078 31.700 -1.064 0.000 0.814 534 F N 0.205 120.133 119.950 -0.035 0.000 2.512 534 F HA 0.073 4.600 4.527 0.000 0.000 0.296 534 F C 1.193 177.046 175.800 0.089 0.000 1.110 534 F CA 0.289 58.340 58.000 0.086 0.000 1.446 534 F CB -0.992 38.077 39.000 0.113 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.243 120.072 118.700 0.215 0.000 2.895 535 N HA -0.009 4.731 4.740 0.000 0.000 0.277 535 N C -0.660 174.980 175.510 0.216 0.000 1.185 535 N CA 0.375 53.556 53.050 0.218 0.000 1.106 535 N CB -0.574 38.048 38.487 0.225 0.000 1.422 535 N HN 0.277 nan 8.380 nan 0.000 0.521 536 H N 0.588 119.689 119.070 0.051 0.000 3.012 536 H HA 0.063 4.619 4.556 0.000 0.000 0.367 536 H C 0.827 176.200 175.328 0.074 0.000 1.211 536 H CA -0.392 55.584 56.048 -0.122 0.000 1.139 536 H CB 1.249 30.739 29.762 -0.452 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.586 121.697 119.070 0.069 0.000 2.559 537 H HA 0.081 4.637 4.556 0.000 0.000 0.273 537 H C 0.366 175.890 175.328 0.327 0.000 1.000 537 H CA 0.338 56.577 56.048 0.319 0.000 1.195 537 H CB 0.265 30.197 29.762 0.283 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.090 121.617 120.500 0.047 0.000 2.466 538 R HA 0.076 4.416 4.340 0.000 0.000 0.279 538 R C -0.007 176.292 176.300 -0.002 0.000 0.976 538 R CA -0.173 55.904 56.100 -0.037 0.000 1.081 538 R CB -0.067 30.125 30.300 -0.180 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.704 119.437 118.700 0.056 0.000 2.415 539 N HA 0.061 4.801 4.740 0.000 0.000 0.250 539 N C 1.028 176.558 175.510 0.035 0.000 1.127 539 N CA -0.242 52.852 53.050 0.072 0.000 0.945 539 N CB 1.034 39.606 38.487 0.142 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.666 126.516 122.820 0.051 0.000 1.908 540 A HA -0.128 4.192 4.320 0.000 0.000 0.218 540 A C 2.028 179.660 177.584 0.080 0.000 1.181 540 A CA 1.864 53.951 52.037 0.083 0.000 0.627 540 A CB -1.089 17.993 19.000 0.138 0.000 0.818 540 A HN 0.782 nan 8.150 nan 0.000 0.445 541 G N -0.120 108.711 108.800 0.051 0.000 2.459 541 G HA2 -0.169 3.791 3.960 0.000 0.000 0.217 541 G HA3 -0.169 3.791 3.960 0.000 0.000 0.217 541 G C 1.494 176.348 174.900 -0.076 0.000 1.183 541 G CA 1.278 46.313 45.100 -0.108 0.000 0.776 541 G HN 0.584 nan 8.290 nan 0.000 0.552 542 L N 0.714 121.929 121.223 -0.014 0.000 2.046 542 L HA 0.078 4.418 4.340 0.000 0.000 0.208 542 L C 2.675 179.498 176.870 -0.078 0.000 1.077 542 L CA 2.277 57.113 54.840 -0.007 0.000 0.747 542 L CB -0.765 41.327 42.059 0.056 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.848 118.531 120.500 -0.201 0.000 2.091 543 R HA -0.269 4.071 4.340 0.000 0.000 0.238 543 R C 2.422 178.622 176.300 -0.167 0.000 1.136 543 R CA 2.061 57.877 56.100 -0.474 0.000 0.959 543 R CB -0.666 29.325 30.300 -0.515 0.000 0.856 543 R HN 0.575 nan 8.270 nan 0.000 0.437 544 Y N 0.673 120.875 120.300 -0.163 0.000 2.163 544 Y HA -0.169 4.381 4.550 0.000 0.000 0.288 544 Y C 2.142 177.985 175.900 -0.094 0.000 1.136 544 Y CA 1.769 59.806 58.100 -0.106 0.000 1.147 544 Y CB -0.021 38.330 38.460 -0.183 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.526 119.939 120.500 -0.057 0.000 2.148 545 R HA -0.133 4.207 4.340 0.000 0.000 0.227 545 R C 2.747 179.008 176.300 -0.066 0.000 1.103 545 R CA 1.210 57.255 56.100 -0.092 0.000 0.983 545 R CB -0.441 29.840 30.300 -0.031 0.000 0.874 545 R HN 0.298 nan 8.270 nan 0.000 0.451 546 S N 0.161 115.853 115.700 -0.015 0.000 2.357 546 S HA -0.084 4.386 4.470 0.000 0.000 0.221 546 S C 1.805 176.459 174.600 0.089 0.000 1.031 546 S CA 1.037 59.293 58.200 0.094 0.000 0.982 546 S CB 0.053 63.433 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.495 120.108 119.600 0.023 0.000 2.492 547 M HA 0.073 4.553 4.480 0.000 0.000 0.262 547 M C 1.732 177.979 176.300 -0.088 0.000 1.090 547 M CA 0.398 55.706 55.300 0.014 0.000 1.110 547 M CB -0.197 32.408 32.600 0.007 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.398 121.495 121.223 -0.209 0.000 2.141 548 L HA -0.095 4.245 4.340 0.000 0.000 0.209 548 L C 1.928 178.768 176.870 -0.049 0.000 1.094 548 L CA 1.737 56.444 54.840 -0.221 0.000 0.763 548 L CB -0.380 41.493 42.059 -0.311 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.888 119.335 121.223 -0.000 0.000 2.209 549 L HA 0.304 4.644 4.340 0.000 0.000 0.207 549 L C 1.092 177.992 176.870 0.050 0.000 1.094 549 L CA 0.455 55.327 54.840 0.053 0.000 0.790 549 L CB -0.324 41.748 42.059 0.022 0.000 0.932 549 L HN 0.410 nan 8.230 nan 0.000 0.447 550 G N -0.056 108.777 108.800 0.055 0.000 2.346 550 G HA2 -0.157 3.803 3.960 0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 0.000 0.000 0.294 550 G C -0.627 174.372 174.900 0.165 0.000 1.294 550 G CA -0.045 45.107 45.100 0.087 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.045 118.767 118.700 0.185 0.000 2.187 551 N HA 0.339 5.079 4.740 0.000 0.000 0.212 551 N C 0.717 176.429 175.510 0.337 0.000 1.152 551 N CA 0.762 53.974 53.050 0.269 0.000 0.872 551 N CB 1.150 39.732 38.487 0.158 0.000 1.025 551 N HN 1.070 nan 8.380 nan 0.000 0.514 552 G N 0.196 109.155 108.800 0.265 0.000 2.489 552 G HA2 0.326 4.286 3.960 0.000 0.000 0.327 552 G HA3 0.326 4.286 3.960 0.000 0.000 0.327 552 G C 0.419 175.370 174.900 0.084 0.000 1.189 552 G CA -0.789 44.435 45.100 0.208 0.000 0.962 552 G HN 0.138 nan 8.290 nan 0.000 0.486 553 R N -0.769 119.707 120.500 -0.040 0.000 2.075 553 R HA -0.008 4.332 4.340 0.000 0.000 0.232 553 R C -0.255 175.775 176.300 -0.450 0.000 1.126 553 R CA 0.827 56.726 56.100 -0.336 0.000 0.963 553 R CB -0.238 29.739 30.300 -0.537 0.000 0.858 553 R HN 0.456 nan 8.270 nan 0.000 0.435 554 Y N 0.631 120.921 120.300 -0.016 0.000 2.383 554 Y HA 0.367 4.917 4.550 0.000 0.000 0.344 554 Y C -0.590 175.308 175.900 -0.003 0.000 0.986 554 Y CA -0.778 57.312 58.100 -0.016 0.000 1.175 554 Y CB 1.736 40.197 38.460 0.002 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.124 126.122 119.914 0.140 0.000 2.524 555 V HA 0.384 4.504 4.120 0.000 0.000 0.297 555 V C -2.496 173.706 176.094 0.181 0.000 1.035 555 V CA -2.015 60.363 62.300 0.131 0.000 0.867 555 V CB 2.271 34.143 31.823 0.082 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.370 nan 4.420 nan 0.000 0.292 556 P C -0.930 176.433 177.300 0.106 0.000 1.326 556 P CA -0.172 62.952 63.100 0.039 0.000 0.787 556 P CB 0.664 32.364 31.700 -0.001 0.000 0.903 557 F N 1.197 121.222 119.950 0.124 0.000 2.440 557 F HA 0.650 5.177 4.527 0.000 0.000 0.328 557 F C -0.377 175.530 175.800 0.178 0.000 1.070 557 F CA -1.164 56.941 58.000 0.175 0.000 1.011 557 F CB 1.425 40.598 39.000 0.289 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.882 123.092 119.070 0.234 0.000 3.181 558 H HA 0.581 5.137 4.556 0.000 0.000 0.331 558 H C -1.477 173.914 175.328 0.106 0.000 0.988 558 H CA -0.915 55.191 56.048 0.096 0.000 1.449 558 H CB 1.421 31.198 29.762 0.025 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.952 121.641 120.570 0.197 0.000 3.145 559 I HA 0.534 4.704 4.170 0.000 0.000 0.313 559 I C -1.556 174.475 176.117 -0.144 0.000 1.122 559 I CA -1.273 59.971 61.300 -0.093 0.000 0.987 559 I CB 2.679 40.459 38.000 -0.366 0.000 1.236 559 I HN 0.390 nan 8.210 nan 0.000 0.453 560 Q N 2.385 122.061 119.800 -0.207 0.000 2.333 560 Q HA 0.628 4.968 4.340 0.000 0.000 0.268 560 Q C -1.218 174.835 176.000 0.088 0.000 1.007 560 Q CA -0.546 55.188 55.803 -0.114 0.000 0.810 560 Q CB 2.538 30.942 28.738 -0.556 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.853 124.869 119.914 0.170 0.000 2.417 561 V HA 0.577 4.697 4.120 0.000 0.000 0.291 561 V C -2.138 174.071 176.094 0.191 0.000 1.024 561 V CA -1.830 60.572 62.300 0.170 0.000 0.861 561 V CB 1.558 33.428 31.823 0.079 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.270 nan 4.420 nan 0.000 0.279 562 P C -1.251 175.886 177.300 -0.271 0.000 1.252 562 P CA -0.619 62.245 63.100 -0.394 0.000 0.811 562 P CB 1.326 32.446 31.700 -0.967 0.000 1.035 563 Q N 1.363 120.987 119.800 -0.292 0.000 2.274 563 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 563 Q C 0.315 176.171 176.000 -0.241 0.000 0.927 563 Q CA 0.452 56.113 55.803 -0.236 0.000 0.939 563 Q CB 0.868 29.469 28.738 -0.228 0.000 1.201 563 Q HN 0.295 nan 8.270 nan 0.000 0.426 564 K N 3.412 123.703 120.400 -0.181 0.000 2.380 564 K HA 0.152 4.472 4.320 0.000 0.000 0.198 564 K C -0.331 176.189 176.600 -0.132 0.000 1.070 564 K CA -0.268 55.814 56.287 -0.342 0.000 1.040 564 K CB 0.422 32.506 32.500 -0.693 0.000 0.903 564 K HN 0.477 nan 8.250 nan 0.000 0.549 565 F N 2.841 122.714 119.950 -0.128 0.000 2.590 565 F HA -0.077 4.450 4.527 0.000 0.000 0.389 565 F C 1.111 176.895 175.800 -0.026 0.000 1.049 565 F CA -1.130 56.879 58.000 0.015 0.000 1.199 565 F CB 0.199 39.341 39.000 0.235 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.298 123.922 119.950 -0.543 0.000 2.161 566 F HA -0.116 4.411 4.527 0.000 0.000 0.300 566 F C 1.766 177.319 175.800 -0.413 0.000 1.089 566 F CA 1.335 59.101 58.000 -0.389 0.000 1.282 566 F CB -1.209 37.620 39.000 -0.285 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.192 123.064 122.820 -1.581 0.000 2.067 567 A HA 0.037 4.357 4.320 0.000 0.000 0.219 567 A C 2.102 179.378 177.584 -0.513 0.000 1.158 567 A CA 1.631 53.099 52.037 -0.947 0.000 0.661 567 A CB -1.116 17.455 19.000 -0.715 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.738 115.617 120.570 -0.358 0.000 4.526 568 I HA 0.216 4.386 4.170 0.000 0.000 0.330 568 I C 1.620 177.534 176.117 -0.337 0.000 1.323 568 I CA 0.546 61.667 61.300 -0.299 0.000 1.218 568 I CB 0.001 37.955 38.000 -0.078 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.970 122.188 120.400 -0.304 0.000 2.152 569 K HA -0.079 4.241 4.320 0.000 0.000 0.206 569 K C 0.562 177.017 176.600 -0.241 0.000 1.048 569 K CA 1.919 58.069 56.287 -0.228 0.000 0.933 569 K CB -0.176 32.242 32.500 -0.136 0.000 0.721 569 K HN 0.409 nan 8.250 nan 0.000 0.447 570 N N 0.814 119.290 118.700 -0.374 0.000 2.238 570 N HA 0.070 4.810 4.740 0.000 0.000 0.235 570 N C -0.630 174.746 175.510 -0.225 0.000 1.209 570 N CA -0.315 52.602 53.050 -0.223 0.000 0.879 570 N CB 0.572 39.028 38.487 -0.052 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.623 122.609 121.223 -0.394 0.000 2.453 571 L HA 0.201 4.541 4.340 0.000 0.000 0.272 571 L C -0.201 176.620 176.870 -0.082 0.000 1.182 571 L CA -0.222 54.502 54.840 -0.193 0.000 0.858 571 L CB 0.511 42.407 42.059 -0.271 0.000 1.120 571 L HN -0.022 nan 8.230 nan 0.000 0.474 572 L N 5.876 127.111 121.223 0.020 0.000 2.259 572 L HA 0.422 4.762 4.340 0.000 0.000 0.288 572 L C -0.837 176.002 176.870 -0.051 0.000 1.051 572 L CA 0.088 54.917 54.840 -0.019 0.000 0.824 572 L CB 0.608 42.680 42.059 0.022 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.723 126.876 121.223 -0.117 0.000 2.290 573 L HA 0.391 4.731 4.340 0.000 0.000 0.284 573 L C -0.057 176.796 176.870 -0.028 0.000 1.078 573 L CA 0.225 54.966 54.840 -0.165 0.000 0.815 573 L CB 1.003 42.853 42.059 -0.349 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.532 125.778 121.223 0.038 0.000 2.469 574 L HA 0.453 4.793 4.340 0.000 0.000 0.253 574 L C -2.006 174.999 176.870 0.226 0.000 1.143 574 L CA -2.106 52.804 54.840 0.117 0.000 0.804 574 L CB 0.102 42.215 42.059 0.090 0.000 1.214 574 L HN 0.366 nan 8.230 nan 0.000 0.476 575 P HA 0.153 nan 4.420 nan 0.000 0.265 575 P C -0.172 177.215 177.300 0.146 0.000 1.187 575 P CA 0.482 63.679 63.100 0.163 0.000 0.766 575 P CB 0.513 32.264 31.700 0.086 0.000 0.820 576 G N 0.636 109.479 108.800 0.071 0.000 2.368 576 G HA2 0.242 4.202 3.960 0.000 0.000 0.302 576 G HA3 0.242 4.202 3.960 0.000 0.000 0.302 576 G C -1.451 173.240 174.900 -0.348 0.000 1.329 576 G CA -0.607 44.376 45.100 -0.195 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.228 115.151 115.700 -0.534 0.000 2.454 577 S HA 0.805 5.275 4.470 0.000 0.000 0.306 577 S C -1.300 172.943 174.600 -0.595 0.000 1.100 577 S CA -0.346 57.639 58.200 -0.359 0.000 1.087 577 S CB 0.832 63.948 63.200 -0.139 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.340 120.640 120.300 0.000 0.000 2.499 578 Y HA 0.499 5.049 4.550 0.000 0.000 0.347 578 Y C 0.630 176.555 175.900 0.041 0.000 0.987 578 Y CA -0.999 57.108 58.100 0.013 0.000 1.044 578 Y CB 1.459 39.910 38.460 -0.016 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.653 117.343 114.554 0.227 0.000 2.743 579 T HA 0.295 4.645 4.350 0.000 0.000 0.293 579 T C -1.510 173.391 174.700 0.336 0.000 0.945 579 T CA -0.199 62.030 62.100 0.215 0.000 1.030 579 T CB -0.297 68.657 68.868 0.143 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.443 124.873 120.300 0.215 0.000 2.328 580 Y HA 0.499 5.049 4.550 0.000 0.000 0.333 580 Y C -0.197 175.949 175.900 0.410 0.000 0.958 580 Y CA -0.898 57.379 58.100 0.295 0.000 1.167 580 Y CB 0.802 39.410 38.460 0.246 0.000 1.151 580 Y HN 0.689 nan 8.280 nan 0.000 0.470 581 E N 6.696 127.116 120.200 0.368 0.000 2.293 581 E HA 0.250 4.600 4.350 0.000 0.000 0.270 581 E C -1.989 174.686 176.600 0.125 0.000 0.879 581 E CA -0.607 55.900 56.400 0.179 0.000 0.756 581 E CB 1.851 31.584 29.700 0.054 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.664 123.859 121.300 -0.176 0.000 3.083 582 W HA 0.399 5.059 4.660 0.000 0.000 0.333 582 W C -1.195 175.121 176.519 -0.338 0.000 1.217 582 W CA -0.623 56.518 57.345 -0.341 0.000 1.170 582 W CB 2.211 31.321 29.460 -0.584 0.000 1.437 582 W HN 0.525 nan 8.180 nan 0.000 0.557 583 N N 2.035 120.491 118.700 -0.406 0.000 2.361 583 N HA 0.503 5.243 4.740 0.000 0.000 0.302 583 N C -1.536 173.914 175.510 -0.100 0.000 1.074 583 N CA -0.244 52.728 53.050 -0.130 0.000 0.850 583 N CB 1.783 40.131 38.487 -0.232 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.505 120.635 119.950 0.300 0.000 2.532 584 F HA 0.471 4.998 4.527 0.000 0.000 0.321 584 F C 0.984 176.998 175.800 0.356 0.000 1.089 584 F CA -0.873 57.254 58.000 0.212 0.000 0.926 584 F CB 1.460 40.421 39.000 -0.065 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.592 122.277 120.500 0.309 0.000 2.531 585 R HA 0.368 4.708 4.340 0.000 0.000 0.273 585 R C 0.353 176.919 176.300 0.444 0.000 1.070 585 R CA -0.503 55.755 56.100 0.263 0.000 1.112 585 R CB 1.154 31.414 30.300 -0.066 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.433 121.054 120.400 0.367 0.000 2.402 586 K HA 0.020 4.340 4.320 0.000 0.000 0.203 586 K C -0.338 176.349 176.600 0.145 0.000 1.077 586 K CA -0.106 56.321 56.287 0.232 0.000 1.051 586 K CB 0.515 33.134 32.500 0.199 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.095 122.601 120.400 0.177 0.000 2.363 587 D HA -0.044 4.596 4.640 0.000 0.000 0.263 587 D C 1.375 177.739 176.300 0.106 0.000 1.258 587 D CA -0.081 54.001 54.000 0.137 0.000 0.907 587 D CB 1.223 42.114 40.800 0.152 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.304 122.253 119.914 0.059 0.000 2.568 588 V HA -0.211 3.909 4.120 0.000 0.000 0.253 588 V C 1.586 177.702 176.094 0.037 0.000 1.072 588 V CA 1.356 63.666 62.300 0.017 0.000 1.084 588 V CB -0.602 31.200 31.823 -0.034 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.299 118.454 118.700 0.089 0.000 2.459 589 N HA 0.063 4.803 4.740 0.000 0.000 0.181 589 N C 1.526 177.186 175.510 0.250 0.000 1.046 589 N CA 1.299 54.423 53.050 0.124 0.000 0.904 589 N CB -0.035 38.540 38.487 0.147 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.444 590 M N -0.628 119.097 119.600 0.208 0.000 2.718 590 M HA 0.096 4.576 4.480 0.000 0.000 0.259 590 M C 2.054 178.445 176.300 0.153 0.000 1.240 590 M CA 0.645 56.051 55.300 0.178 0.000 1.210 590 M CB -0.813 31.846 32.600 0.099 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.495 118.513 119.914 0.156 0.000 2.951 591 V HA 0.160 4.280 4.120 0.000 0.000 0.255 591 V C 1.047 177.252 176.094 0.185 0.000 1.088 591 V CA 0.454 62.891 62.300 0.228 0.000 1.109 591 V CB -0.499 31.503 31.823 0.298 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.850 122.098 121.223 0.040 0.000 2.334 592 L HA 0.641 4.981 4.340 0.000 0.000 0.270 592 L C -0.378 176.471 176.870 -0.035 0.000 1.018 592 L CA -0.396 54.395 54.840 -0.082 0.000 0.811 592 L CB 1.778 43.725 42.059 -0.186 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.060 120.827 119.800 -0.055 0.000 2.331 593 Q HA 0.525 4.865 4.340 0.000 0.000 0.272 593 Q C -1.477 174.509 176.000 -0.023 0.000 1.062 593 Q CA -0.538 55.246 55.803 -0.030 0.000 0.806 593 Q CB 2.587 31.335 28.738 0.017 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.598 116.279 115.700 -0.031 0.000 2.600 594 S HA 0.404 4.874 4.470 0.000 0.000 0.300 594 S C 0.565 175.207 174.600 0.071 0.000 1.087 594 S CA -0.079 58.136 58.200 0.024 0.000 0.965 594 S CB 1.701 64.890 63.200 -0.019 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.970 116.762 115.700 0.153 0.000 2.436 595 S HA 0.010 4.480 4.470 0.000 0.000 0.228 595 S C 1.361 176.073 174.600 0.186 0.000 1.014 595 S CA 0.248 58.572 58.200 0.208 0.000 0.950 595 S CB -0.541 62.853 63.200 0.325 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.517 122.815 121.223 0.125 0.000 2.375 596 L HA 0.390 4.730 4.340 0.000 0.000 0.215 596 L C 1.935 178.844 176.870 0.065 0.000 1.108 596 L CA 1.161 56.059 54.840 0.097 0.000 0.830 596 L CB -1.286 40.815 42.059 0.071 0.000 0.959 596 L HN 0.591 nan 8.230 nan 0.000 0.457 597 G N 0.137 108.930 108.800 -0.011 0.000 2.143 597 G HA2 -0.307 3.653 3.960 0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 0.000 0.000 0.248 597 G C 0.393 175.220 174.900 -0.120 0.000 0.991 597 G CA 0.464 45.464 45.100 -0.167 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.494 119.173 118.700 -0.035 0.000 2.371 598 N HA 0.253 4.993 4.740 0.000 0.000 0.243 598 N C -0.292 175.185 175.510 -0.055 0.000 1.287 598 N CA 0.068 53.116 53.050 -0.004 0.000 0.911 598 N CB 0.578 39.102 38.487 0.063 0.000 1.142 598 N HN 0.141 nan 8.380 nan 0.000 0.451 599 D N 0.548 120.928 120.400 -0.033 0.000 2.383 599 D HA 0.072 4.712 4.640 0.000 0.000 0.245 599 D C 1.137 177.412 176.300 -0.041 0.000 1.263 599 D CA -0.231 53.739 54.000 -0.050 0.000 0.936 599 D CB -0.200 40.583 40.800 -0.029 0.000 1.053 599 D HN 0.498 nan 8.370 nan 0.000 0.507 600 L N 3.432 124.619 121.223 -0.060 0.000 2.191 600 L HA -0.145 4.195 4.340 0.000 0.000 0.212 600 L C 2.421 179.269 176.870 -0.037 0.000 1.103 600 L CA 0.618 55.425 54.840 -0.056 0.000 0.769 600 L CB -0.266 41.749 42.059 -0.073 0.000 0.908 600 L HN 0.328 nan 8.230 nan 0.000 0.438 601 R N -0.427 120.060 120.500 -0.022 0.000 2.152 601 R HA -0.075 4.265 4.340 0.000 0.000 0.232 601 R C 1.771 178.067 176.300 -0.005 0.000 1.117 601 R CA 1.052 57.149 56.100 -0.005 0.000 0.981 601 R CB -0.417 29.892 30.300 0.015 0.000 0.870 601 R HN 0.270 nan 8.270 nan 0.000 0.451 602 V N 0.668 120.577 119.914 -0.008 0.000 3.528 602 V HA 0.030 4.150 4.120 0.000 0.000 0.294 602 V C 0.179 176.270 176.094 -0.005 0.000 1.404 602 V CA 0.491 62.789 62.300 -0.003 0.000 1.065 602 V CB 0.398 32.221 31.823 0.000 0.000 0.904 602 V HN 0.022 nan 8.190 nan 0.000 0.435 603 D N 0.722 121.113 120.400 -0.015 0.000 2.463 603 D HA 0.287 4.927 4.640 0.000 0.000 0.224 603 D C 1.672 177.948 176.300 -0.040 0.000 1.174 603 D CA 0.771 54.758 54.000 -0.021 0.000 0.829 603 D CB 0.552 41.336 40.800 -0.025 0.000 0.993 603 D HN 0.367 nan 8.370 nan 0.000 0.497 604 G N 0.802 109.584 108.800 -0.029 0.000 2.166 604 G HA2 -0.278 3.683 3.960 0.000 0.000 0.260 604 G HA3 -0.278 3.683 3.960 0.000 0.000 0.260 604 G C 0.662 175.534 174.900 -0.046 0.000 0.986 604 G CA 0.334 45.416 45.100 -0.031 0.000 0.683 604 G HN 0.590 nan 8.290 nan 0.000 0.527 605 A N -0.532 122.250 122.820 -0.063 0.000 2.462 605 A HA 0.745 5.065 4.320 0.000 0.000 0.243 605 A C 0.657 178.202 177.584 -0.066 0.000 1.076 605 A CA 1.106 53.090 52.037 -0.088 0.000 0.773 605 A CB 0.905 19.841 19.000 -0.107 0.000 1.010 605 A HN 1.652 nan 8.150 nan 0.000 0.493 606 S N 0.924 116.581 115.700 -0.071 0.000 2.546 606 S HA 0.721 5.191 4.470 0.000 0.000 0.274 606 S C -1.143 173.419 174.600 -0.063 0.000 1.121 606 S CA -0.519 57.650 58.200 -0.051 0.000 0.887 606 S CB 0.919 64.107 63.200 -0.019 0.000 1.094 606 S HN 1.006 nan 8.310 nan 0.000 0.474 607 I N 2.833 123.352 120.570 -0.084 0.000 2.722 607 I HA 0.603 4.773 4.170 0.000 0.000 0.295 607 I C -1.566 174.426 176.117 -0.209 0.000 1.161 607 I CA -0.565 60.667 61.300 -0.112 0.000 1.032 607 I CB 1.892 39.786 38.000 -0.176 0.000 1.244 607 I HN 0.733 nan 8.210 nan 0.000 0.421 608 K N 6.668 126.960 120.400 -0.181 0.000 2.468 608 K HA 0.492 4.812 4.320 0.000 0.000 0.252 608 K C -1.991 174.462 176.600 -0.245 0.000 0.932 608 K CA -0.516 55.630 56.287 -0.235 0.000 0.794 608 K CB 1.576 34.020 32.500 -0.094 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.782 123.668 119.950 -0.106 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.942 176.566 175.800 -0.294 0.000 1.122 609 F CA -0.740 57.080 58.000 -0.300 0.000 1.129 609 F CB 1.261 39.818 39.000 -0.738 0.000 1.173 609 F HN 0.636 nan 8.300 nan 0.000 0.489 610 D N 0.991 121.354 120.400 -0.061 0.000 2.149 610 D HA -0.042 4.598 4.640 0.000 0.000 0.206 610 D C 0.737 177.016 176.300 -0.036 0.000 0.967 610 D CA 1.147 55.112 54.000 -0.059 0.000 0.848 610 D CB 0.297 41.035 40.800 -0.103 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.654 115.000 115.700 -0.076 0.000 2.537 611 S HA 0.596 5.066 4.470 0.000 0.000 0.270 611 S C -1.023 173.546 174.600 -0.053 0.000 1.142 611 S CA -0.984 57.198 58.200 -0.029 0.000 0.870 611 S CB 2.181 65.371 63.200 -0.017 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.832 122.418 120.570 0.026 0.000 2.534 612 I HA 0.699 4.869 4.170 0.000 0.000 0.288 612 I C -1.310 174.984 176.117 0.295 0.000 1.077 612 I CA -0.366 60.971 61.300 0.062 0.000 1.051 612 I CB 1.125 39.066 38.000 -0.097 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.951 125.439 119.300 0.312 0.000 2.771 613 C HA 0.709 5.169 4.460 0.000 0.000 0.333 613 C C -0.666 174.419 174.990 0.158 0.000 1.267 613 C CA -0.641 58.570 59.018 0.322 0.000 1.721 613 C CB 1.766 29.622 27.740 0.193 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.637 122.773 121.223 -0.145 0.000 2.333 614 L HA 0.622 4.962 4.340 0.000 0.000 0.280 614 L C -1.476 175.218 176.870 -0.294 0.000 1.004 614 L CA -0.040 54.587 54.840 -0.355 0.000 0.820 614 L CB 0.456 42.028 42.059 -0.812 0.000 1.247 614 L HN 0.665 nan 8.230 nan 0.000 0.416 615 Y N 3.577 123.646 120.300 -0.385 0.000 2.446 615 Y HA 0.829 5.379 4.550 0.000 0.000 0.338 615 Y C 0.132 175.801 175.900 -0.385 0.000 1.055 615 Y CA -0.327 57.535 58.100 -0.397 0.000 1.101 615 Y CB 2.299 40.331 38.460 -0.712 0.000 1.221 615 Y HN 0.778 nan 8.280 nan 0.000 0.460 616 A N 1.588 124.411 122.820 0.005 0.000 2.459 616 A HA 0.733 5.053 4.320 0.000 0.000 0.296 616 A C -1.135 176.488 177.584 0.064 0.000 1.039 616 A CA -0.694 51.308 52.037 -0.058 0.000 0.698 616 A CB 1.115 20.075 19.000 -0.066 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.064 116.589 114.554 -0.049 0.000 2.823 617 T HA 0.676 5.026 4.350 0.000 0.000 0.279 617 T C -1.058 173.638 174.700 -0.006 0.000 0.998 617 T CA 0.080 62.248 62.100 0.114 0.000 0.994 617 T CB 0.329 69.276 68.868 0.133 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.931 121.947 119.950 0.110 0.000 2.482 618 F HA 0.508 5.035 4.527 0.000 0.000 0.331 618 F C 0.039 175.933 175.800 0.156 0.000 1.115 618 F CA -1.847 56.233 58.000 0.135 0.000 0.955 618 F CB 0.914 39.986 39.000 0.121 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.328 126.405 119.950 0.213 0.000 2.578 619 F HA 0.242 4.769 4.527 0.000 0.000 0.376 619 F C -1.601 174.302 175.800 0.171 0.000 1.085 619 F CA -1.876 56.213 58.000 0.149 0.000 1.260 619 F CB 0.704 39.768 39.000 0.106 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.004 nan 4.420 nan 0.000 0.225 620 P C -0.265 177.041 177.300 0.010 0.000 1.768 620 P CA 0.004 63.054 63.100 -0.083 0.000 0.943 620 P CB -0.126 31.467 31.700 -0.178 0.000 1.936 621 M N 1.513 121.323 119.600 0.351 0.000 2.249 621 M HA 0.244 4.724 4.480 0.000 0.000 0.340 621 M C 0.308 176.768 176.300 0.266 0.000 1.166 621 M CA -0.114 55.459 55.300 0.457 0.000 1.115 621 M CB 0.638 33.522 32.600 0.474 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.697 126.636 122.820 0.199 0.000 2.540 622 A HA 0.000 4.320 4.320 0.000 0.000 0.239 622 A C 0.537 178.247 177.584 0.210 0.000 1.061 622 A CA -0.143 51.957 52.037 0.106 0.000 0.758 622 A CB -0.068 18.989 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.319 121.435 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 0.000 0.000 0.298 623 H C 2.031 177.397 175.328 0.062 0.000 1.098 623 H CA 2.026 58.114 56.048 0.066 0.000 1.315 623 H CB -0.110 29.682 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.257 119.068 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 0.000 0.000 0.184 624 N C 1.523 177.095 175.510 0.105 0.000 1.018 624 N CA 1.600 54.723 53.050 0.122 0.000 0.858 624 N CB -0.790 37.756 38.487 0.098 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.217 115.839 114.554 0.113 0.000 2.737 625 T HA 0.096 4.446 4.350 0.000 0.000 0.265 625 T C 2.202 176.957 174.700 0.092 0.000 1.038 625 T CA 1.585 63.740 62.100 0.093 0.000 1.144 625 T CB -0.490 68.435 68.868 0.094 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.312 124.209 122.820 0.127 0.000 1.908 626 A HA -0.124 4.196 4.320 0.000 0.000 0.218 626 A C 2.574 180.206 177.584 0.080 0.000 1.181 626 A CA 2.196 54.303 52.037 0.116 0.000 0.627 626 A CB -1.154 17.941 19.000 0.158 0.000 0.818 626 A HN 0.458 nan 8.150 nan 0.000 0.445 627 S N -1.135 114.612 115.700 0.078 0.000 2.370 627 S HA -0.156 4.314 4.470 0.000 0.000 0.226 627 S C 2.043 176.671 174.600 0.047 0.000 1.033 627 S CA 2.307 60.540 58.200 0.054 0.000 1.011 627 S CB -0.606 62.627 63.200 0.055 0.000 0.852 627 S HN 0.608 nan 8.310 nan 0.000 0.457 628 T N 2.354 116.939 114.554 0.051 0.000 2.812 628 T HA 0.012 4.362 4.350 0.000 0.000 0.264 628 T C 1.681 176.400 174.700 0.032 0.000 1.042 628 T CA 1.288 63.412 62.100 0.040 0.000 1.140 628 T CB -0.445 68.448 68.868 0.041 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.632 122.875 121.223 0.034 0.000 2.083 629 L HA -0.022 4.318 4.340 0.000 0.000 0.209 629 L C 2.416 179.300 176.870 0.023 0.000 1.083 629 L CA 1.915 56.770 54.840 0.024 0.000 0.752 629 L CB -0.608 41.465 42.059 0.023 0.000 0.899 629 L HN 0.319 nan 8.230 nan 0.000 0.433 630 E N -0.364 119.855 120.200 0.032 0.000 2.077 630 E HA -0.242 4.108 4.350 0.000 0.000 0.193 630 E C 2.074 178.684 176.600 0.016 0.000 0.989 630 E CA 1.218 57.635 56.400 0.028 0.000 0.800 630 E CB -0.239 29.482 29.700 0.036 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.095 123.925 122.820 0.017 0.000 1.908 631 A HA -0.189 4.131 4.320 0.000 0.000 0.218 631 A C 2.266 179.853 177.584 0.006 0.000 1.181 631 A CA 1.863 53.906 52.037 0.011 0.000 0.627 631 A CB -0.546 18.464 19.000 0.017 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.693 118.913 119.600 0.009 0.000 2.132 632 M HA -0.052 4.428 4.480 0.000 0.000 0.263 632 M C 1.829 178.132 176.300 0.005 0.000 1.065 632 M CA 1.262 56.566 55.300 0.007 0.000 1.122 632 M CB -0.445 32.159 32.600 0.007 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.652 120.573 121.223 0.004 0.000 2.551 633 L HA -0.087 4.253 4.340 0.000 0.000 0.228 633 L C 2.158 179.026 176.870 -0.004 0.000 1.153 633 L CA 0.501 55.343 54.840 0.004 0.000 0.851 633 L CB -0.468 41.595 42.059 0.007 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.430 120.058 120.500 -0.020 0.000 2.297 634 R HA 0.081 4.421 4.340 0.000 0.000 0.197 634 R C 0.050 176.329 176.300 -0.035 0.000 0.943 634 R CA -0.088 55.972 56.100 -0.067 0.000 1.038 634 R CB 0.083 30.327 30.300 -0.093 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.640 120.351 118.700 0.018 0.000 2.514 635 N HA -0.026 4.714 4.740 0.000 0.000 0.277 635 N C 0.145 175.722 175.510 0.112 0.000 1.126 635 N CA 0.108 53.193 53.050 0.059 0.000 0.978 635 N CB 1.333 39.837 38.487 0.029 0.000 1.106 635 N HN 0.111 nan 8.380 nan 0.000 0.461 636 D N -0.355 120.136 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 0.000 0.000 0.204 636 D C 1.501 177.803 176.300 0.002 0.000 0.982 636 D CA 1.174 55.206 54.000 0.053 0.000 0.857 636 D CB -0.221 40.470 40.800 -0.182 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.533 114.022 114.554 0.003 0.000 2.833 637 T HA -0.143 4.207 4.350 0.000 0.000 0.269 637 T C 1.018 175.712 174.700 -0.010 0.000 1.054 637 T CA 1.023 63.116 62.100 -0.012 0.000 1.135 637 T CB -0.357 68.506 68.868 -0.008 0.000 0.869 637 T HN 0.041 nan 8.240 nan 0.000 0.466 638 N N 1.983 120.687 118.700 0.006 0.000 2.320 638 N HA 0.163 4.903 4.740 0.000 0.000 0.237 638 N C -0.865 174.647 175.510 0.004 0.000 1.129 638 N CA -0.161 52.888 53.050 -0.003 0.000 0.854 638 N CB 0.170 38.657 38.487 0.000 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.331 121.740 120.400 0.015 0.000 2.423 639 D HA 0.039 4.679 4.640 0.000 0.000 0.238 639 D C 0.761 177.035 176.300 -0.043 0.000 1.142 639 D CA 0.545 54.562 54.000 0.028 0.000 0.884 639 D CB 1.157 41.975 40.800 0.030 0.000 1.199 639 D HN 0.128 nan 8.370 nan 0.000 0.438 640 Q N 0.154 119.925 119.800 -0.049 0.000 2.312 640 Q HA 0.514 4.854 4.340 0.000 0.000 0.236 640 Q C -0.338 175.484 176.000 -0.297 0.000 0.965 640 Q CA -0.459 55.231 55.803 -0.189 0.000 0.894 640 Q CB 1.228 29.921 28.738 -0.075 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.390 115.687 115.700 -0.672 0.000 2.533 641 S HA 0.758 5.228 4.470 0.000 0.000 0.271 641 S C -1.373 172.721 174.600 -0.844 0.000 1.143 641 S CA -0.850 57.045 58.200 -0.508 0.000 0.891 641 S CB 0.783 63.844 63.200 -0.232 0.000 1.105 641 S HN 0.410 nan 8.310 nan 0.000 0.468 642 F N 1.427 121.414 119.950 0.062 0.000 2.613 642 F HA 0.660 5.187 4.527 0.000 0.000 0.314 642 F C -0.142 175.783 175.800 0.208 0.000 1.075 642 F CA -0.778 57.298 58.000 0.127 0.000 0.945 642 F CB 1.908 40.996 39.000 0.146 0.000 1.310 642 F HN 0.829 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.739 118.700 0.307 0.000 2.229 643 N HA 0.268 5.008 4.740 0.000 0.000 0.298 643 N C -1.864 173.522 175.510 -0.208 0.000 1.114 643 N CA -0.612 52.448 53.050 0.016 0.000 0.776 643 N CB 2.289 40.778 38.487 0.003 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.248 120.146 120.400 -0.837 0.000 2.424 644 D HA -0.013 4.627 4.640 0.000 0.000 0.244 644 D C 0.901 177.044 176.300 -0.261 0.000 1.134 644 D CA -0.110 53.472 54.000 -0.696 0.000 0.881 644 D CB 0.563 40.778 40.800 -0.975 0.000 1.191 644 D HN 0.501 nan 8.370 nan 0.000 0.445 645 Y N 3.625 123.815 120.300 -0.185 0.000 2.145 645 Y HA -0.162 4.388 4.550 0.000 0.000 0.286 645 Y C 1.744 177.547 175.900 -0.161 0.000 1.145 645 Y CA 1.434 59.452 58.100 -0.136 0.000 1.148 645 Y CB -0.254 38.150 38.460 -0.093 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.526 121.714 121.223 -0.059 0.000 2.083 646 L HA -0.094 4.246 4.340 0.000 0.000 0.209 646 L C 1.125 177.845 176.870 -0.250 0.000 1.083 646 L CA 1.749 56.508 54.840 -0.135 0.000 0.752 646 L CB -0.847 41.185 42.059 -0.045 0.000 0.899 646 L HN 0.217 nan 8.230 nan 0.000 0.433 647 S N -0.052 115.485 115.700 -0.272 0.000 3.356 647 S HA 0.011 4.481 4.470 0.000 0.000 0.376 647 S C 0.057 174.515 174.600 -0.236 0.000 0.924 647 S CA 0.498 58.518 58.200 -0.299 0.000 1.316 647 S CB -1.627 61.331 63.200 -0.402 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.551 123.278 122.820 -0.155 0.000 2.612 648 A HA 0.867 5.187 4.320 0.000 0.000 0.293 648 A C -0.519 177.024 177.584 -0.069 0.000 1.075 648 A CA -0.090 51.880 52.037 -0.112 0.000 0.680 648 A CB 1.065 20.005 19.000 -0.099 0.000 1.279 648 A HN 1.502 nan 8.150 nan 0.000 0.411 649 A N 1.616 124.359 122.820 -0.128 0.000 2.274 649 A HA 0.637 4.957 4.320 0.000 0.000 0.309 649 A C -0.390 177.217 177.584 0.039 0.000 1.226 649 A CA -0.632 51.308 52.037 -0.160 0.000 0.853 649 A CB 0.098 18.702 19.000 -0.661 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.287 122.079 118.700 0.154 0.000 2.425 650 N HA 0.424 5.164 4.740 0.000 0.000 0.268 650 N C -0.912 174.780 175.510 0.303 0.000 0.991 650 N CA -0.227 53.028 53.050 0.342 0.000 0.931 650 N CB 1.410 40.145 38.487 0.414 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.497 122.337 119.600 0.400 0.000 2.456 651 M HA 0.509 4.989 4.480 0.000 0.000 0.324 651 M C -0.544 175.842 176.300 0.143 0.000 1.124 651 M CA -0.548 54.881 55.300 0.214 0.000 0.959 651 M CB 1.790 34.636 32.600 0.409 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.045 124.145 121.223 -0.204 0.000 2.381 652 L HA 0.534 4.874 4.340 0.000 0.000 0.274 652 L C -1.597 175.045 176.870 -0.379 0.000 0.988 652 L CA -0.645 54.107 54.840 -0.146 0.000 0.824 652 L CB 1.666 43.625 42.059 -0.166 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.437 123.776 120.300 0.065 0.000 2.341 653 Y HA 0.428 4.978 4.550 0.000 0.000 0.338 653 Y C -2.119 173.787 175.900 0.010 0.000 0.965 653 Y CA -2.664 55.460 58.100 0.040 0.000 1.108 653 Y CB 1.566 40.052 38.460 0.044 0.000 1.180 653 Y HN 0.353 nan 8.280 nan 0.000 0.458 654 P HA 0.204 nan 4.420 nan 0.000 0.271 654 P C -0.560 176.774 177.300 0.057 0.000 1.216 654 P CA 0.221 63.357 63.100 0.059 0.000 0.771 654 P CB 1.411 33.130 31.700 0.031 0.000 0.864 655 I N 4.737 125.321 120.570 0.023 0.000 2.437 655 I HA 0.257 4.427 4.170 0.000 0.000 0.279 655 I C -2.276 173.837 176.117 -0.007 0.000 1.028 655 I CA -2.775 58.526 61.300 0.002 0.000 1.142 655 I CB 1.640 39.624 38.000 -0.027 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.016 nan 4.420 nan 0.000 0.267 656 P C -0.071 177.223 177.300 -0.011 0.000 1.201 656 P CA -0.126 62.971 63.100 -0.006 0.000 0.775 656 P CB 0.577 32.275 31.700 -0.002 0.000 0.854 657 A N 2.868 125.682 122.820 -0.010 0.000 2.567 657 A HA -0.018 4.302 4.320 0.000 0.000 0.240 657 A C 0.912 178.491 177.584 -0.008 0.000 1.053 657 A CA 0.794 52.826 52.037 -0.009 0.000 0.755 657 A CB -1.380 17.617 19.000 -0.005 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.832 117.862 118.700 -0.009 0.000 2.900 658 N HA -0.222 4.518 4.740 0.000 0.000 0.240 658 N C 0.372 175.874 175.510 -0.013 0.000 0.953 658 N CA 0.541 53.586 53.050 -0.008 0.000 0.950 658 N CB -1.511 36.976 38.487 -0.000 0.000 1.102 658 N HN 1.220 nan 8.380 nan 0.000 0.593 659 A N 0.086 122.896 122.820 -0.016 0.000 2.483 659 A HA 0.368 4.688 4.320 0.000 0.000 0.238 659 A C 1.204 178.773 177.584 -0.026 0.000 1.070 659 A CA 1.020 53.048 52.037 -0.016 0.000 0.770 659 A CB 0.494 19.486 19.000 -0.013 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 1.031 115.572 114.554 -0.021 0.000 2.964 660 T HA 0.139 4.489 4.350 0.000 0.000 0.249 660 T C 0.307 174.995 174.700 -0.021 0.000 1.000 660 T CA 0.349 62.433 62.100 -0.027 0.000 0.992 660 T CB -0.130 68.726 68.868 -0.020 0.000 1.087 660 T HN 0.682 nan 8.240 nan 0.000 0.489 661 N N 0.949 119.643 118.700 -0.009 0.000 2.392 661 N HA 0.529 5.269 4.740 0.000 0.000 0.283 661 N C -1.431 174.087 175.510 0.013 0.000 1.003 661 N CA -0.243 52.808 53.050 0.002 0.000 0.892 661 N CB 2.024 40.510 38.487 -0.002 0.000 1.193 661 N HN -0.100 nan 8.380 nan 0.000 0.487 662 V N 4.211 124.149 119.914 0.039 0.000 2.340 662 V HA 0.453 4.573 4.120 0.000 0.000 0.277 662 V C -2.277 173.860 176.094 0.072 0.000 1.017 662 V CA -1.312 61.016 62.300 0.047 0.000 0.820 662 V CB 1.302 33.143 31.823 0.030 0.000 1.028 662 V HN 0.605 nan 8.190 nan 0.000 0.436 663 P HA 0.592 nan 4.420 nan 0.000 0.300 663 P C -0.794 176.496 177.300 -0.017 0.000 1.326 663 P CA -0.393 62.715 63.100 0.013 0.000 0.844 663 P CB 2.199 33.902 31.700 0.005 0.000 0.992 664 I N -0.795 119.747 120.570 -0.047 0.000 2.740 664 I HA 0.761 4.931 4.170 0.000 0.000 0.303 664 I C -0.917 175.191 176.117 -0.014 0.000 1.044 664 I CA -0.959 60.269 61.300 -0.121 0.000 1.064 664 I CB 2.546 40.282 38.000 -0.441 0.000 1.249 664 I HN 0.175 nan 8.210 nan 0.000 0.433 665 S N 5.465 121.193 115.700 0.047 0.000 2.614 665 S HA 0.640 5.110 4.470 0.000 0.000 0.288 665 S C -0.925 173.751 174.600 0.127 0.000 1.137 665 S CA -0.648 57.600 58.200 0.079 0.000 0.992 665 S CB 1.240 64.477 63.200 0.061 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.716 127.372 120.570 0.143 0.000 2.330 666 I HA 0.386 4.556 4.170 0.000 0.000 0.289 666 I C -2.041 174.144 176.117 0.115 0.000 1.001 666 I CA -2.610 58.774 61.300 0.140 0.000 1.193 666 I CB 0.997 39.127 38.000 0.217 0.000 1.345 666 I HN 0.448 nan 8.210 nan 0.000 0.461 667 P HA -0.019 nan 4.420 nan 0.000 0.269 667 P C 0.186 177.517 177.300 0.052 0.000 1.209 667 P CA -0.093 63.035 63.100 0.047 0.000 0.776 667 P CB 0.667 32.375 31.700 0.014 0.000 0.876 668 S N 2.388 118.135 115.700 0.079 0.000 3.116 668 S HA -0.060 4.410 4.470 0.000 0.000 0.367 668 S C 0.468 175.086 174.600 0.030 0.000 1.202 668 S CA 0.350 58.614 58.200 0.107 0.000 1.018 668 S CB -0.584 62.653 63.200 0.062 0.000 0.726 668 S HN 0.727 nan 8.310 nan 0.000 0.506 669 R N 3.004 123.530 120.500 0.044 0.000 2.844 669 R HA 0.525 4.865 4.340 0.000 0.000 0.264 669 R C -1.200 174.986 176.300 -0.191 0.000 1.077 669 R CA -1.080 54.905 56.100 -0.192 0.000 0.953 669 R CB 0.296 30.291 30.300 -0.508 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.557 117.953 118.700 -0.317 0.000 2.499 670 N HA 0.248 4.988 4.740 0.000 0.000 0.281 670 N C -1.015 174.256 175.510 -0.398 0.000 1.098 670 N CA -0.541 52.408 53.050 -0.168 0.000 0.979 670 N CB 0.643 39.073 38.487 -0.096 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.332 123.656 121.300 0.041 0.000 2.862 671 W HA 0.488 5.148 4.660 0.000 0.000 0.376 671 W C 0.541 177.114 176.519 0.089 0.000 1.028 671 W CA -0.534 56.812 57.345 0.002 0.000 1.757 671 W CB -0.241 29.210 29.460 -0.014 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.066 124.043 122.820 0.260 0.000 2.565 672 A HA 0.367 4.687 4.320 0.000 0.000 0.237 672 A C 1.570 179.273 177.584 0.199 0.000 1.053 672 A CA 1.264 53.430 52.037 0.216 0.000 0.755 672 A CB -0.084 19.003 19.000 0.145 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.208 124.147 122.820 0.198 0.000 3.396 673 A HA -0.196 4.124 4.320 0.000 0.000 0.267 673 A C 0.389 178.172 177.584 0.332 0.000 1.139 673 A CA 0.942 53.123 52.037 0.240 0.000 1.115 673 A CB -2.596 16.516 19.000 0.186 0.000 1.133 673 A HN 2.038 nan 8.150 nan 0.000 0.920 674 F N 1.422 121.437 119.950 0.108 0.000 2.608 674 F HA 0.381 4.908 4.527 0.000 0.000 0.380 674 F C 1.306 177.096 175.800 -0.016 0.000 1.083 674 F CA 0.603 58.603 58.000 0.000 0.000 1.266 674 F CB 0.369 39.273 39.000 -0.159 0.000 1.076 674 F HN 0.256 nan 8.300 nan 0.000 0.574 675 R N 3.153 123.246 120.500 -0.678 0.000 2.189 675 R HA 0.413 4.753 4.340 0.000 0.000 0.203 675 R C 0.776 176.586 176.300 -0.816 0.000 1.012 675 R CA 0.313 56.065 56.100 -0.580 0.000 1.015 675 R CB 0.056 30.073 30.300 -0.472 0.000 0.938 675 R HN 0.916 nan 8.270 nan 0.000 0.472 676 G N -0.696 107.095 108.800 -1.682 0.000 2.340 676 G HA2 -0.008 3.952 3.960 0.000 0.000 0.282 676 G HA3 -0.008 3.952 3.960 0.000 0.000 0.282 676 G C -1.838 172.554 174.900 -0.848 0.000 1.312 676 G CA -0.976 43.404 45.100 -1.200 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.044 121.172 121.300 -0.140 0.000 2.781 677 W HA 0.756 5.416 4.660 0.000 0.000 0.345 677 W C 0.119 176.602 176.519 -0.060 0.000 1.085 677 W CA -0.267 57.042 57.345 -0.060 0.000 1.198 677 W CB 2.435 31.911 29.460 0.027 0.000 1.423 677 W HN 1.284 nan 8.180 nan 0.000 0.532 678 A N 2.736 125.648 122.820 0.154 0.000 2.486 678 A HA 0.938 5.258 4.320 0.000 0.000 0.300 678 A C -1.655 175.919 177.584 -0.016 0.000 1.048 678 A CA -0.551 51.459 52.037 -0.045 0.000 0.696 678 A CB 1.670 20.550 19.000 -0.201 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.904 118.909 119.950 -0.227 0.000 2.719 679 F HA 0.879 5.406 4.527 0.000 0.000 0.309 679 F C -0.301 175.284 175.800 -0.359 0.000 1.138 679 F CA -0.384 57.430 58.000 -0.310 0.000 0.943 679 F CB 1.140 40.029 39.000 -0.185 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.438 114.074 114.554 -0.070 0.000 2.626 680 T HA 0.606 4.956 4.350 0.000 0.000 0.299 680 T C -1.712 173.278 174.700 0.484 0.000 1.181 680 T CA -1.191 60.931 62.100 0.036 0.000 1.053 680 T CB 1.991 70.646 68.868 -0.356 0.000 1.566 680 T HN 0.948 nan 8.240 nan 0.000 0.486 681 R N 0.116 120.850 120.500 0.390 0.000 2.574 681 R HA 0.742 5.082 4.340 0.000 0.000 0.288 681 R C -1.771 174.614 176.300 0.142 0.000 1.004 681 R CA -0.682 55.559 56.100 0.234 0.000 0.895 681 R CB 1.010 31.318 30.300 0.013 0.000 1.191 681 R HN 0.613 nan 8.270 nan 0.000 0.444 682 L N 2.681 123.987 121.223 0.139 0.000 2.323 682 L HA 0.579 4.919 4.340 0.000 0.000 0.265 682 L C -0.338 176.557 176.870 0.042 0.000 1.012 682 L CA -1.171 53.739 54.840 0.117 0.000 0.820 682 L CB 2.214 44.387 42.059 0.190 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.029 120.451 120.400 0.036 0.000 2.201 683 K HA 0.269 4.589 4.320 0.000 0.000 0.278 683 K C 0.536 177.135 176.600 -0.002 0.000 1.027 683 K CA -0.396 55.899 56.287 0.013 0.000 0.909 683 K CB 1.756 34.272 32.500 0.026 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.348 116.897 114.554 -0.008 0.000 2.720 684 T HA -0.159 4.191 4.350 0.000 0.000 0.268 684 T C 1.336 176.035 174.700 -0.002 0.000 1.037 684 T CA 1.416 63.511 62.100 -0.008 0.000 1.144 684 T CB 0.001 68.863 68.868 -0.010 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.917 121.294 120.400 -0.039 0.000 2.211 685 K HA -0.088 4.232 4.320 0.000 0.000 0.204 685 K C 1.803 178.279 176.600 -0.207 0.000 1.047 685 K CA 1.102 57.341 56.287 -0.081 0.000 0.935 685 K CB -0.042 32.389 32.500 -0.116 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.156 120.201 120.200 -0.258 0.000 2.444 686 E HA 0.030 4.380 4.350 0.000 0.000 0.191 686 E C -0.530 176.138 176.600 0.113 0.000 1.041 686 E CA 0.138 56.322 56.400 -0.361 0.000 0.883 686 E CB 0.792 30.284 29.700 -0.347 0.000 1.024 686 E HN 0.000 nan 8.360 nan 0.000 0.470 687 T N 3.772 118.401 114.554 0.125 0.000 2.912 687 T HA 0.228 4.578 4.350 0.000 0.000 0.326 687 T C -2.499 172.177 174.700 -0.040 0.000 1.080 687 T CA -1.581 60.543 62.100 0.040 0.000 1.000 687 T CB 1.379 70.209 68.868 -0.064 0.000 1.008 687 T HN -0.022 nan 8.240 nan 0.000 0.473 688 P HA 0.192 nan 4.420 nan 0.000 0.271 688 P C -0.271 176.826 177.300 -0.338 0.000 1.216 688 P CA -0.360 62.359 63.100 -0.636 0.000 0.771 688 P CB 0.658 31.691 31.700 -1.111 0.000 0.864 689 S N 3.250 118.809 115.700 -0.235 0.000 2.503 689 S HA 0.124 4.594 4.470 0.000 0.000 0.317 689 S C 0.894 175.388 174.600 -0.178 0.000 1.162 689 S CA -0.305 57.790 58.200 -0.175 0.000 1.124 689 S CB -0.852 62.286 63.200 -0.103 0.000 1.207 689 S HN 0.298 nan 8.310 nan 0.000 0.538 690 L N 2.076 123.193 121.223 -0.176 0.000 2.425 690 L HA 0.275 4.615 4.340 0.000 0.000 0.225 690 L C 1.861 178.689 176.870 -0.070 0.000 1.222 690 L CA 0.621 55.400 54.840 -0.102 0.000 0.832 690 L CB -0.380 41.636 42.059 -0.072 0.000 1.238 690 L HN 0.787 nan 8.230 nan 0.000 0.533 691 G N -0.236 108.556 108.800 -0.013 0.000 2.550 691 G HA2 -0.326 3.634 3.960 0.000 0.000 0.233 691 G HA3 -0.326 3.634 3.960 0.000 0.000 0.233 691 G C 0.320 175.197 174.900 -0.038 0.000 1.170 691 G CA 0.415 45.504 45.100 -0.019 0.000 0.693 691 G HN 0.779 nan 8.290 nan 0.000 0.512 692 S N 0.884 116.537 115.700 -0.080 0.000 2.586 692 S HA 0.570 5.040 4.470 0.000 0.000 0.274 692 S C 1.401 175.947 174.600 -0.089 0.000 1.281 692 S CA 0.629 58.746 58.200 -0.139 0.000 1.035 692 S CB 1.713 64.754 63.200 -0.265 0.000 0.962 692 S HN 1.554 nan 8.310 nan 0.000 0.512 693 G N 0.204 108.942 108.800 -0.104 0.000 2.776 693 G HA2 0.257 4.217 3.960 0.000 0.000 0.209 693 G HA3 0.257 4.217 3.960 0.000 0.000 0.209 693 G C -0.079 174.596 174.900 -0.376 0.000 1.145 693 G CA 0.363 45.446 45.100 -0.030 0.000 0.791 693 G HN 1.204 nan 8.290 nan 0.000 0.530 694 Y N -2.341 117.692 120.300 -0.445 0.000 2.288 694 Y HA 0.354 4.904 4.550 0.000 0.000 0.319 694 Y C -2.311 173.436 175.900 -0.256 0.000 1.349 694 Y CA -1.710 56.120 58.100 -0.450 0.000 1.287 694 Y CB 0.475 38.438 38.460 -0.827 0.000 1.296 694 Y HN -0.070 nan 8.280 nan 0.000 0.431 695 D N 7.886 128.220 120.400 -0.110 0.000 2.443 695 D HA 0.268 4.908 4.640 0.000 0.000 0.221 695 D C -1.720 174.581 176.300 0.000 0.000 1.097 695 D CA -2.113 51.803 54.000 -0.139 0.000 0.865 695 D CB 1.939 42.685 40.800 -0.090 0.000 1.034 695 D HN 0.528 nan 8.370 nan 0.000 0.511 696 P HA -0.151 nan 4.420 nan 0.000 0.220 696 P C 0.613 177.781 177.300 -0.219 0.000 1.148 696 P CA 0.929 63.927 63.100 -0.171 0.000 0.803 696 P CB -0.018 31.452 31.700 -0.383 0.000 0.782 697 Y N -2.473 117.896 120.300 0.116 0.000 2.493 697 Y HA 0.187 4.737 4.550 0.000 0.000 0.275 697 Y C 0.910 176.910 175.900 0.166 0.000 1.183 697 Y CA -0.806 57.358 58.100 0.106 0.000 1.258 697 Y CB -0.617 37.881 38.460 0.064 0.000 1.108 697 Y HN -0.095 nan 8.280 nan 0.000 0.521 698 Y N 2.389 122.765 120.300 0.126 0.000 2.595 698 Y HA 0.164 4.714 4.550 0.000 0.000 0.347 698 Y C 0.507 176.484 175.900 0.128 0.000 1.025 698 Y CA -0.706 57.469 58.100 0.125 0.000 1.295 698 Y CB 0.468 38.987 38.460 0.099 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.728 117.229 114.554 -0.089 0.000 3.327 699 T HA 0.231 4.581 4.350 0.000 0.000 0.244 699 T C -1.108 173.516 174.700 -0.126 0.000 1.074 699 T CA -0.445 61.601 62.100 -0.089 0.000 1.156 699 T CB -0.596 68.273 68.868 0.002 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.977 120.939 120.300 -0.564 0.000 2.513 700 Y HA 0.553 5.103 4.550 0.000 0.000 0.340 700 Y C -0.090 175.571 175.900 -0.398 0.000 1.055 700 Y CA -0.897 56.941 58.100 -0.436 0.000 1.020 700 Y CB 2.119 40.329 38.460 -0.416 0.000 1.301 700 Y HN 0.208 nan 8.280 nan 0.000 0.453 701 S N 1.907 117.085 115.700 -0.869 0.000 2.952 701 S HA 0.468 4.938 4.470 0.000 0.000 0.251 701 S C 0.388 174.610 174.600 -0.630 0.000 1.021 701 S CA -0.012 57.848 58.200 -0.567 0.000 1.067 701 S CB -0.006 63.036 63.200 -0.264 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.121 110.128 108.800 -1.322 0.000 2.531 702 G HA2 0.495 4.455 3.960 0.000 0.000 0.253 702 G HA3 0.495 4.455 3.960 0.000 0.000 0.253 702 G C 0.100 174.984 174.900 -0.026 0.000 1.439 702 G CA -0.126 44.683 45.100 -0.485 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.282 114.548 115.700 0.218 0.000 2.576 703 S HA 0.376 4.846 4.470 0.000 0.000 0.276 703 S C -0.058 174.748 174.600 0.344 0.000 1.339 703 S CA -0.387 57.943 58.200 0.216 0.000 1.039 703 S CB 0.749 64.040 63.200 0.152 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.268 123.979 120.570 0.234 0.000 2.503 704 I HA 0.276 4.446 4.170 0.000 0.000 0.277 704 I C -1.973 174.207 176.117 0.106 0.000 1.078 704 I CA -2.319 59.135 61.300 0.257 0.000 1.184 704 I CB 1.375 39.532 38.000 0.261 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.570 178.716 177.300 -0.257 0.000 1.154 705 P CA 1.680 64.658 63.100 -0.205 0.000 0.872 705 P CB 0.028 31.753 31.700 0.043 0.000 0.790 706 Y N -0.207 120.088 120.300 -0.007 0.000 2.207 706 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 706 Y C 1.843 177.756 175.900 0.022 0.000 1.156 706 Y CA 1.566 59.696 58.100 0.049 0.000 1.182 706 Y CB -0.565 37.851 38.460 -0.074 0.000 0.979 706 Y HN -0.127 nan 8.280 nan 0.000 0.521 707 L N -0.846 120.373 121.223 -0.005 0.000 2.388 707 L HA 0.057 4.397 4.340 0.000 0.000 0.209 707 L C 1.539 178.352 176.870 -0.095 0.000 1.061 707 L CA 0.875 55.689 54.840 -0.045 0.000 0.834 707 L CB -0.257 41.861 42.059 0.098 0.000 1.029 707 L HN 0.174 nan 8.230 nan 0.000 0.473 708 D N -0.831 119.490 120.400 -0.132 0.000 2.360 708 D HA 0.099 4.739 4.640 0.000 0.000 0.210 708 D C 1.441 177.555 176.300 -0.310 0.000 1.047 708 D CA 0.685 54.588 54.000 -0.161 0.000 0.854 708 D CB 0.406 41.145 40.800 -0.102 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.467 108.928 108.800 -0.565 0.000 2.143 709 G HA2 -0.280 3.680 3.960 0.000 0.000 0.249 709 G HA3 -0.280 3.680 3.960 0.000 0.000 0.249 709 G C 0.672 175.157 174.900 -0.691 0.000 0.981 709 G CA 0.528 45.141 45.100 -0.811 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.457 113.695 114.554 -0.669 0.000 3.820 710 T HA 0.555 4.905 4.350 0.000 0.000 0.224 710 T C 0.615 175.265 174.700 -0.084 0.000 0.869 710 T CA -0.545 61.143 62.100 -0.685 0.000 0.932 710 T CB -0.736 67.493 68.868 -1.067 0.000 1.259 710 T HN 0.300 nan 8.240 nan 0.000 0.676 711 F N 2.488 122.567 119.950 0.215 0.000 2.518 711 F HA 0.304 4.831 4.527 0.000 0.000 0.359 711 F C 1.065 177.149 175.800 0.474 0.000 1.118 711 F CA -0.679 57.482 58.000 0.269 0.000 1.287 711 F CB 0.440 39.510 39.000 0.116 0.000 1.132 711 F HN 0.521 nan 8.300 nan 0.000 0.587 712 Y N -0.302 120.285 120.300 0.479 0.000 2.957 712 Y HA 0.436 4.986 4.550 0.000 0.000 0.274 712 Y C -0.407 175.726 175.900 0.387 0.000 1.065 712 Y CA -0.474 57.873 58.100 0.412 0.000 1.273 712 Y CB -0.863 37.833 38.460 0.393 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.925 122.132 121.223 -0.027 0.000 3.014 713 L HA 0.317 4.657 4.340 0.000 0.000 0.263 713 L C 0.978 177.836 176.870 -0.020 0.000 1.207 713 L CA -0.078 54.679 54.840 -0.139 0.000 1.017 713 L CB 0.108 41.993 42.059 -0.290 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.607 119.420 118.700 0.190 0.000 2.364 714 N HA -0.176 4.564 4.740 0.000 0.000 0.183 714 N C 1.674 177.599 175.510 0.693 0.000 1.022 714 N CA 1.130 54.385 53.050 0.342 0.000 0.883 714 N CB -0.121 38.194 38.487 -0.287 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.222 119.032 119.070 0.308 0.000 2.559 715 H HA 0.074 4.630 4.556 0.000 0.000 0.273 715 H C 1.031 176.391 175.328 0.053 0.000 1.000 715 H CA 1.230 57.273 56.048 -0.008 0.000 1.195 715 H CB -0.624 28.910 29.762 -0.381 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.432 111.961 114.554 -0.268 0.000 3.144 716 T HA 0.158 4.508 4.350 0.000 0.000 0.249 716 T C 0.118 174.712 174.700 -0.177 0.000 1.089 716 T CA -0.553 61.391 62.100 -0.259 0.000 0.989 716 T CB -0.736 67.887 68.868 -0.408 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.419 121.425 119.950 0.094 0.000 2.394 717 F HA 0.596 5.123 4.527 0.000 0.000 0.340 717 F C 1.370 177.149 175.800 -0.035 0.000 1.105 717 F CA -1.140 56.908 58.000 0.080 0.000 1.124 717 F CB 1.816 40.928 39.000 0.187 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.235 122.685 120.400 0.085 0.000 2.161 718 K HA 0.186 4.506 4.320 0.000 0.000 0.205 718 K C -0.509 176.035 176.600 -0.093 0.000 1.035 718 K CA 0.724 57.005 56.287 -0.010 0.000 0.970 718 K CB 0.368 32.857 32.500 -0.019 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.306 119.042 120.400 -0.087 0.000 2.579 719 K HA 0.478 4.798 4.320 0.000 0.000 0.284 719 K C -1.572 174.902 176.600 -0.211 0.000 0.990 719 K CA -1.118 55.068 56.287 -0.169 0.000 0.880 719 K CB 2.138 34.559 32.500 -0.131 0.000 1.488 719 K HN -0.168 nan 8.250 nan 0.000 0.425 720 V N 0.105 119.851 119.914 -0.280 0.000 2.686 720 V HA 0.737 4.857 4.120 0.000 0.000 0.306 720 V C -1.023 174.895 176.094 -0.293 0.000 1.065 720 V CA -0.740 61.252 62.300 -0.513 0.000 0.894 720 V CB 1.520 32.870 31.823 -0.788 0.000 1.004 720 V HN 0.966 nan 8.190 nan 0.000 0.424 721 A N 5.724 128.328 122.820 -0.359 0.000 2.318 721 A HA 0.923 5.243 4.320 0.000 0.000 0.317 721 A C -0.830 176.603 177.584 -0.252 0.000 1.159 721 A CA -0.482 51.441 52.037 -0.190 0.000 0.799 721 A CB 0.761 19.672 19.000 -0.148 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.044 122.543 120.570 -0.119 0.000 2.433 722 I HA 0.470 4.640 4.170 0.000 0.000 0.292 722 I C -0.461 175.630 176.117 -0.044 0.000 1.001 722 I CA -0.209 60.983 61.300 -0.181 0.000 1.119 722 I CB 2.414 40.312 38.000 -0.171 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.438 723 T N 5.601 120.061 114.554 -0.157 0.000 2.928 723 T HA 0.497 4.847 4.350 0.000 0.000 0.296 723 T C -0.663 173.945 174.700 -0.153 0.000 1.000 723 T CA -0.480 61.589 62.100 -0.052 0.000 0.989 723 T CB 0.968 69.824 68.868 -0.020 0.000 1.005 723 T HN 0.086 nan 8.240 nan 0.000 0.442 724 F N 2.169 122.166 119.950 0.079 0.000 2.399 724 F HA 0.353 4.880 4.527 0.000 0.000 0.334 724 F C 1.294 177.150 175.800 0.093 0.000 1.097 724 F CA -0.311 57.719 58.000 0.050 0.000 1.076 724 F CB 0.886 39.899 39.000 0.022 0.000 1.162 724 F HN 0.614 nan 8.300 nan 0.000 0.495 725 D N 2.296 122.876 120.400 0.300 0.000 2.702 725 D HA -0.260 4.380 4.640 0.000 0.000 0.233 725 D C 0.708 177.081 176.300 0.121 0.000 1.164 725 D CA 1.107 55.222 54.000 0.192 0.000 0.638 725 D CB -1.014 39.904 40.800 0.195 0.000 1.041 725 D HN 0.849 nan 8.370 nan 0.000 0.422 726 S N -2.366 113.389 115.700 0.092 0.000 3.491 726 S HA -0.280 4.190 4.470 0.000 0.000 0.371 726 S C 0.919 175.555 174.600 0.060 0.000 0.980 726 S CA 2.030 60.265 58.200 0.058 0.000 1.204 726 S CB -2.110 61.116 63.200 0.043 0.000 0.915 726 S HN 1.471 nan 8.310 nan 0.000 0.482 727 S N -3.229 112.520 115.700 0.081 0.000 1.773 727 S HA 0.170 4.640 4.470 0.000 0.000 0.203 727 S C -0.106 174.549 174.600 0.092 0.000 0.762 727 S CA 0.284 58.527 58.200 0.071 0.000 1.503 727 S CB -0.117 63.121 63.200 0.062 0.000 0.926 727 S HN 1.075 nan 8.310 nan 0.000 0.380 728 V N 3.565 123.563 119.914 0.141 0.000 2.368 728 V HA 0.642 4.762 4.120 0.000 0.000 0.266 728 V C 0.426 176.658 176.094 0.229 0.000 1.045 728 V CA -0.151 62.253 62.300 0.173 0.000 0.899 728 V CB 0.921 32.866 31.823 0.203 0.000 1.006 728 V HN 0.551 nan 8.190 nan 0.000 0.470 729 S N 5.164 120.968 115.700 0.173 0.000 2.548 729 S HA 0.415 4.885 4.470 0.000 0.000 0.277 729 S C -0.895 173.883 174.600 0.296 0.000 1.315 729 S CA -0.426 57.886 58.200 0.186 0.000 1.050 729 S CB 0.356 63.604 63.200 0.081 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.474 127.907 121.300 0.222 0.000 2.702 730 W HA 0.517 5.177 4.660 0.000 0.000 0.331 730 W C -1.964 174.754 176.519 0.331 0.000 1.049 730 W CA -2.147 55.402 57.345 0.339 0.000 1.230 730 W CB 1.654 31.484 29.460 0.616 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.096 nan 4.420 nan 0.000 0.241 731 P C 0.914 177.932 177.300 -0.470 0.000 1.191 731 P CA 1.423 63.732 63.100 -1.318 0.000 0.771 731 P CB 0.318 31.238 31.700 -1.299 0.000 0.929 732 G N 1.891 110.555 108.800 -0.227 0.000 2.581 732 G HA2 -0.365 3.595 3.960 0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 0.000 0.000 0.291 732 G C 0.380 175.196 174.900 -0.139 0.000 1.277 732 G CA 0.340 45.370 45.100 -0.116 0.000 0.959 732 G HN 0.325 nan 8.290 nan 0.000 0.554 733 N N 0.127 118.774 118.700 -0.088 0.000 2.681 733 N HA -0.211 4.529 4.740 0.000 0.000 0.250 733 N C 0.636 176.100 175.510 -0.076 0.000 1.133 733 N CA 2.509 55.510 53.050 -0.082 0.000 0.732 733 N CB -0.871 37.554 38.487 -0.103 0.000 1.107 733 N HN 1.570 nan 8.380 nan 0.000 0.559 734 D N -1.395 118.961 120.400 -0.073 0.000 2.751 734 D HA -0.223 4.417 4.640 0.000 0.000 0.233 734 D C 1.158 177.424 176.300 -0.056 0.000 1.149 734 D CA 1.160 55.125 54.000 -0.058 0.000 0.682 734 D CB -0.177 40.600 40.800 -0.037 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.525 119.926 120.500 -0.082 0.000 2.062 735 R HA 0.120 4.460 4.340 0.000 0.000 0.226 735 R C 1.102 177.390 176.300 -0.019 0.000 1.125 735 R CA 0.573 56.640 56.100 -0.055 0.000 0.966 735 R CB -0.084 30.163 30.300 -0.088 0.000 0.861 735 R HN 0.330 nan 8.270 nan 0.000 0.433 736 L N 1.257 122.437 121.223 -0.071 0.000 2.421 736 L HA 0.166 4.506 4.340 0.000 0.000 0.263 736 L C 1.936 178.800 176.870 -0.009 0.000 1.122 736 L CA -0.433 54.372 54.840 -0.059 0.000 0.804 736 L CB 0.599 42.537 42.059 -0.202 0.000 1.150 736 L HN 0.003 nan 8.230 nan 0.000 0.457 737 L N 0.599 121.867 121.223 0.076 0.000 2.127 737 L HA -0.125 4.215 4.340 0.000 0.000 0.211 737 L C 1.104 178.006 176.870 0.054 0.000 1.089 737 L CA 1.373 56.325 54.840 0.187 0.000 0.757 737 L CB -0.573 41.843 42.059 0.595 0.000 0.899 737 L HN 0.801 nan 8.230 nan 0.000 0.434 738 T N -4.072 110.439 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 0.000 0.000 0.391 738 T C -1.524 173.090 174.700 -0.145 0.000 1.502 738 T CA -1.877 60.140 62.100 -0.139 0.000 1.320 738 T CB 0.912 69.649 68.868 -0.218 0.000 1.102 738 T HN -0.056 nan 8.240 nan 0.000 0.610 739 P HA -0.184 nan 4.420 nan 0.000 0.218 739 P C 0.839 178.051 177.300 -0.146 0.000 1.150 739 P CA 1.214 64.237 63.100 -0.128 0.000 0.841 739 P CB 0.164 31.816 31.700 -0.079 0.000 0.784 740 N N 0.150 118.779 118.700 -0.118 0.000 2.398 740 N HA 0.003 4.743 4.740 0.000 0.000 0.188 740 N C 0.757 176.206 175.510 -0.102 0.000 1.122 740 N CA 0.539 53.534 53.050 -0.093 0.000 0.866 740 N CB 0.345 38.794 38.487 -0.064 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.190 118.913 120.200 -0.162 0.000 2.422 741 E HA 0.208 4.558 4.350 0.000 0.000 0.280 741 E C -1.618 174.855 176.600 -0.212 0.000 1.091 741 E CA -0.755 55.571 56.400 -0.124 0.000 0.849 741 E CB 0.289 29.932 29.700 -0.095 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.372 121.247 119.950 -0.126 0.000 2.350 742 F HA 0.282 4.809 4.527 0.000 0.000 0.365 742 F C 0.203 175.879 175.800 -0.206 0.000 1.122 742 F CA -0.385 57.557 58.000 -0.096 0.000 1.139 742 F CB 1.254 40.237 39.000 -0.029 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.666 124.833 120.200 -0.056 0.000 2.130 743 E HA 0.214 4.564 4.350 0.000 0.000 0.284 743 E C 0.777 177.248 176.600 -0.216 0.000 1.018 743 E CA -0.132 56.185 56.400 -0.139 0.000 0.817 743 E CB 1.517 31.140 29.700 -0.128 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.836 123.137 120.570 -0.450 0.000 2.400 744 I HA -0.141 4.029 4.170 0.000 0.000 0.248 744 I C 0.839 176.795 176.117 -0.268 0.000 1.109 744 I CA 1.085 61.899 61.300 -0.808 0.000 1.425 744 I CB 0.066 37.395 38.000 -1.118 0.000 1.094 744 I HN 0.408 nan 8.210 nan 0.000 0.425 745 K N 0.453 120.802 120.400 -0.086 0.000 2.532 745 K HA 0.662 4.982 4.320 0.000 0.000 0.265 745 K C -0.981 175.647 176.600 0.047 0.000 0.948 745 K CA -0.905 55.430 56.287 0.079 0.000 0.842 745 K CB 2.106 34.744 32.500 0.229 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.503 121.049 120.500 0.078 0.000 2.740 746 R HA 0.368 4.708 4.340 0.000 0.000 0.282 746 R C -0.987 175.356 176.300 0.072 0.000 0.969 746 R CA -1.100 55.030 56.100 0.049 0.000 0.918 746 R CB 2.312 32.635 30.300 0.038 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.835 116.565 115.700 0.050 0.000 2.423 747 S HA 0.193 4.663 4.470 0.000 0.000 0.317 747 S C 1.197 175.827 174.600 0.050 0.000 1.065 747 S CA -0.702 57.531 58.200 0.056 0.000 1.111 747 S CB 1.067 64.293 63.200 0.043 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.976 121.927 119.914 0.061 0.000 0.575 748 V HA -0.458 3.662 4.120 0.000 0.000 0.092 748 V C 2.089 178.211 176.094 0.047 0.000 1.949 748 V CA 2.552 64.883 62.300 0.053 0.000 3.444 748 V CB -1.921 29.926 31.823 0.040 0.000 0.743 748 V HN 0.843 nan 8.190 nan 0.000 0.767 749 D N 0.913 121.335 120.400 0.037 0.000 2.203 749 D HA -0.077 4.563 4.640 0.000 0.000 0.199 749 D C 1.593 177.919 176.300 0.044 0.000 0.997 749 D CA 1.958 55.977 54.000 0.032 0.000 0.863 749 D CB -0.335 40.477 40.800 0.019 0.000 0.928 749 D HN 0.776 nan 8.370 nan 0.000 0.458 750 G N -0.008 108.824 108.800 0.053 0.000 4.547 750 G HA2 0.050 4.010 3.960 0.000 0.000 0.301 750 G HA3 0.050 4.010 3.960 0.000 0.000 0.301 750 G C 0.912 175.891 174.900 0.132 0.000 1.240 750 G CA -0.366 44.784 45.100 0.084 0.000 0.970 750 G HN -0.048 nan 8.290 nan 0.000 0.574 751 E N 0.731 120.994 120.200 0.104 0.000 2.160 751 E HA -0.120 4.230 4.350 0.000 0.000 0.195 751 E C 2.539 179.203 176.600 0.106 0.000 0.991 751 E CA 1.182 57.643 56.400 0.101 0.000 0.810 751 E CB 0.001 29.744 29.700 0.072 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.080 108.783 108.800 0.105 0.000 2.442 752 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 752 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 752 G C 1.388 176.316 174.900 0.047 0.000 1.141 752 G CA 0.596 45.731 45.100 0.058 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.280 121.599 120.300 0.032 0.000 2.224 753 Y HA -0.018 4.532 4.550 0.000 0.000 0.289 753 Y C 1.220 177.145 175.900 0.042 0.000 1.146 753 Y CA 0.704 58.826 58.100 0.037 0.000 1.182 753 Y CB -0.148 38.332 38.460 0.033 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.385 119.203 118.700 0.196 0.000 2.454 754 N HA 0.164 4.904 4.740 0.000 0.000 0.254 754 N C -0.181 175.369 175.510 0.067 0.000 1.228 754 N CA 0.340 53.471 53.050 0.135 0.000 0.900 754 N CB 0.868 39.433 38.487 0.130 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.204 117.723 119.914 0.022 0.000 3.182 755 V HA 0.842 4.962 4.120 0.000 0.000 0.311 755 V C 0.940 176.967 176.094 -0.112 0.000 1.221 755 V CA -0.701 61.552 62.300 -0.077 0.000 1.060 755 V CB 0.670 32.373 31.823 -0.200 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.696 122.000 122.820 -0.207 0.000 2.799 756 A HA -0.293 4.027 4.320 0.000 0.000 0.274 756 A C 0.997 178.567 177.584 -0.024 0.000 1.393 756 A CA 1.817 53.761 52.037 -0.154 0.000 0.909 756 A CB -2.463 16.421 19.000 -0.193 0.000 1.012 756 A HN 1.646 nan 8.150 nan 0.000 0.653 757 Q N -4.235 115.563 119.800 -0.004 0.000 2.487 757 Q HA -0.259 4.081 4.340 0.000 0.000 0.279 757 Q C 0.299 176.338 176.000 0.065 0.000 1.228 757 Q CA 1.112 56.931 55.803 0.028 0.000 0.873 757 Q CB -2.721 26.026 28.738 0.016 0.000 1.260 757 Q HN 2.149 nan 8.270 nan 0.000 0.471 758 C N -2.720 116.641 119.300 0.103 0.000 3.292 758 C HA 0.564 5.024 4.460 0.000 0.000 0.369 758 C C 1.252 176.364 174.990 0.203 0.000 1.664 758 C CA -0.266 58.856 59.018 0.173 0.000 1.204 758 C CB 0.830 28.700 27.740 0.216 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.644 119.514 118.700 0.283 0.000 2.449 759 N HA 0.031 4.771 4.740 0.000 0.000 0.191 759 N C 0.222 175.898 175.510 0.277 0.000 1.161 759 N CA 0.063 53.270 53.050 0.262 0.000 0.863 759 N CB -0.276 38.368 38.487 0.261 0.000 0.980 759 N HN 0.894 nan 8.380 nan 0.000 0.458 760 M N 1.734 121.499 119.600 0.275 0.000 2.242 760 M HA 0.076 4.556 4.480 0.000 0.000 0.344 760 M C 0.153 176.551 176.300 0.163 0.000 1.140 760 M CA -0.271 55.149 55.300 0.199 0.000 1.160 760 M CB 0.860 33.520 32.600 0.100 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.173 115.830 114.554 0.172 0.000 2.899 761 T HA 0.313 4.663 4.350 0.000 0.000 0.284 761 T C 0.739 175.567 174.700 0.213 0.000 1.004 761 T CA -0.677 61.537 62.100 0.190 0.000 1.043 761 T CB 1.127 70.090 68.868 0.159 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.483 121.019 120.400 0.227 0.000 2.057 762 K HA -0.120 4.200 4.320 0.000 0.000 0.207 762 K C 1.822 178.557 176.600 0.224 0.000 1.049 762 K CA 1.576 57.988 56.287 0.209 0.000 0.931 762 K CB -0.192 32.416 32.500 0.178 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.222 120.752 120.400 0.216 0.000 2.106 763 D HA -0.231 4.409 4.640 0.000 0.000 0.191 763 D C 1.486 177.862 176.300 0.125 0.000 0.997 763 D CA 0.919 55.008 54.000 0.148 0.000 0.834 763 D CB -0.279 40.588 40.800 0.111 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.324 121.588 121.300 -0.059 0.000 2.388 764 W HA -0.211 4.449 4.660 0.000 0.000 0.294 764 W C 2.034 178.411 176.519 -0.236 0.000 1.212 764 W CA 0.368 57.611 57.345 -0.170 0.000 1.271 764 W CB -0.406 28.926 29.460 -0.213 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.245 121.075 119.950 -0.201 0.000 2.171 765 F HA -0.230 4.297 4.527 0.000 0.000 0.300 765 F C 2.243 177.844 175.800 -0.332 0.000 1.090 765 F CA 1.760 59.546 58.000 -0.355 0.000 1.293 765 F CB -0.981 37.847 39.000 -0.287 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.228 120.903 121.223 -0.154 0.000 2.027 766 L HA -0.118 4.222 4.340 0.000 0.000 0.206 766 L C 2.169 178.836 176.870 -0.339 0.000 1.074 766 L CA 1.697 56.486 54.840 -0.084 0.000 0.745 766 L CB -1.012 41.098 42.059 0.084 0.000 0.898 766 L HN 0.027 nan 8.230 nan 0.000 0.433 767 V N -0.304 119.326 119.914 -0.473 0.000 2.343 767 V HA -0.249 3.871 4.120 0.000 0.000 0.247 767 V C 2.676 178.317 176.094 -0.755 0.000 1.051 767 V CA 1.641 63.541 62.300 -0.667 0.000 1.036 767 V CB -0.801 30.542 31.823 -0.801 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.995 118.185 119.800 -1.033 0.000 2.119 768 Q HA -0.089 4.251 4.340 0.000 0.000 0.201 768 Q C 2.231 177.792 176.000 -0.732 0.000 0.972 768 Q CA 1.254 56.398 55.803 -1.099 0.000 0.847 768 Q CB -0.418 27.253 28.738 -1.779 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.015 119.212 119.600 -0.621 0.000 2.175 769 M HA -0.065 4.415 4.480 0.000 0.000 0.264 769 M C 2.270 178.457 176.300 -0.188 0.000 1.063 769 M CA 1.080 56.220 55.300 -0.266 0.000 1.119 769 M CB -0.872 31.538 32.600 -0.317 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.410 120.658 121.223 -0.259 0.000 2.027 770 L HA -0.127 4.213 4.340 0.000 0.000 0.206 770 L C 2.707 179.481 176.870 -0.160 0.000 1.074 770 L CA 1.154 55.889 54.840 -0.176 0.000 0.745 770 L CB -0.900 41.067 42.059 -0.153 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.225 122.902 122.820 -0.238 0.000 1.940 771 A HA -0.229 4.091 4.320 0.000 0.000 0.219 771 A C 1.966 179.373 177.584 -0.295 0.000 1.176 771 A CA 2.370 54.272 52.037 -0.224 0.000 0.631 771 A CB -0.641 18.184 19.000 -0.292 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.400 116.019 118.700 -0.467 0.000 2.336 772 N HA 0.056 4.796 4.740 0.000 0.000 0.177 772 N C 0.555 175.554 175.510 -0.852 0.000 1.018 772 N CA 1.343 53.927 53.050 -0.778 0.000 0.878 772 N CB -0.001 37.723 38.487 -1.272 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.422 118.824 120.300 -0.091 0.000 2.610 773 Y HA 0.397 4.947 4.550 0.000 0.000 0.254 773 Y C -0.085 175.766 175.900 -0.082 0.000 1.110 773 Y CA -0.746 57.298 58.100 -0.093 0.000 1.238 773 Y CB -0.476 37.903 38.460 -0.135 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.669 119.377 118.700 0.014 0.000 2.782 774 N HA -0.190 4.550 4.740 0.000 0.000 0.251 774 N C -0.718 174.788 175.510 -0.007 0.000 1.101 774 N CA 0.338 53.398 53.050 0.017 0.000 0.764 774 N CB -1.002 37.517 38.487 0.054 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.194 120.345 120.570 -0.052 0.000 2.353 775 I HA 0.416 4.586 4.170 0.000 0.000 0.293 775 I C 1.394 177.369 176.117 -0.237 0.000 0.992 775 I CA 0.367 61.567 61.300 -0.167 0.000 1.268 775 I CB 1.582 39.398 38.000 -0.307 0.000 1.387 775 I HN 0.272 nan 8.210 nan 0.000 0.478 776 G N 3.951 112.527 108.800 -0.373 0.000 3.685 776 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 776 G C 0.396 174.914 174.900 -0.636 0.000 0.987 776 G CA -0.247 44.464 45.100 -0.649 0.000 0.884 776 G HN 0.461 nan 8.290 nan 0.000 0.406 777 Y N 1.346 121.534 120.300 -0.186 0.000 2.544 777 Y HA 0.381 4.931 4.550 0.000 0.000 0.286 777 Y C 2.086 177.916 175.900 -0.115 0.000 1.141 777 Y CA 1.089 59.111 58.100 -0.131 0.000 1.299 777 Y CB 0.527 38.948 38.460 -0.065 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.748 119.800 0.012 0.000 2.333 778 Q HA 0.437 4.777 4.340 0.000 0.000 0.365 778 Q C -0.075 175.943 176.000 0.030 0.000 0.882 778 Q CA -0.112 55.710 55.803 0.032 0.000 1.124 778 Q CB 1.061 29.845 28.738 0.077 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.509 109.244 108.800 -0.108 0.000 2.675 779 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 779 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 779 G C -1.206 173.611 174.900 -0.139 0.000 1.215 779 G CA -1.053 44.008 45.100 -0.063 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.425 121.436 119.950 0.102 0.000 2.436 780 F HA 0.826 5.353 4.527 0.000 0.000 0.340 780 F C 0.668 176.502 175.800 0.056 0.000 1.113 780 F CA -0.433 57.560 58.000 -0.011 0.000 1.022 780 F CB 1.591 40.675 39.000 0.140 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.104 120.498 120.300 0.157 0.000 2.656 781 Y HA 0.619 5.169 4.550 0.000 0.000 0.334 781 Y C -1.041 174.735 175.900 -0.207 0.000 1.179 781 Y CA -2.095 56.003 58.100 -0.003 0.000 1.050 781 Y CB 0.479 38.922 38.460 -0.029 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.770 125.258 120.570 -0.137 0.000 2.668 782 I HA 0.125 4.295 4.170 0.000 0.000 0.285 782 I C -1.908 173.967 176.117 -0.403 0.000 1.168 782 I CA -1.431 59.545 61.300 -0.540 0.000 1.424 782 I CB 0.503 38.313 38.000 -0.317 0.000 1.377 782 I HN 0.416 nan 8.210 nan 0.000 0.560 783 P HA 0.106 nan 4.420 nan 0.000 0.272 783 P C -0.704 176.363 177.300 -0.388 0.000 1.230 783 P CA -0.401 62.330 63.100 -0.615 0.000 0.788 783 P CB 0.567 31.497 31.700 -1.283 0.000 0.949 784 E N 0.355 120.367 120.200 -0.313 0.000 2.414 784 E HA 0.026 4.376 4.350 0.000 0.000 0.263 784 E C 1.335 177.738 176.600 -0.328 0.000 1.000 784 E CA -0.008 56.220 56.400 -0.286 0.000 0.914 784 E CB 0.159 29.631 29.700 -0.380 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.323 117.948 115.700 -0.125 0.000 2.381 785 S HA -0.296 4.174 4.470 0.000 0.000 0.230 785 S C 1.777 176.368 174.600 -0.014 0.000 1.052 785 S CA 2.000 60.177 58.200 -0.038 0.000 1.068 785 S CB -0.524 62.702 63.200 0.043 0.000 0.918 785 S HN 0.694 nan 8.310 nan 0.000 0.448 786 Y N 1.155 121.466 120.300 0.019 0.000 2.497 786 Y HA 0.160 4.710 4.550 0.000 0.000 0.292 786 Y C 1.650 177.587 175.900 0.062 0.000 1.137 786 Y CA 0.599 58.717 58.100 0.031 0.000 1.285 786 Y CB -0.444 38.029 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.347 119.828 120.400 -0.376 0.000 2.352 787 K HA 0.006 4.326 4.320 0.000 0.000 0.194 787 K C -0.137 176.536 176.600 0.121 0.000 1.038 787 K CA 0.541 56.754 56.287 -0.124 0.000 1.023 787 K CB 0.257 32.633 32.500 -0.206 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.127 122.554 120.400 0.044 0.000 2.638 788 D HA 0.046 4.686 4.640 0.000 0.000 0.245 788 D C -0.052 176.318 176.300 0.117 0.000 1.176 788 D CA -0.260 53.834 54.000 0.157 0.000 0.996 788 D CB 0.232 41.034 40.800 0.002 0.000 1.012 788 D HN -0.092 nan 8.370 nan 0.000 0.515 789 R N 1.105 121.681 120.500 0.126 0.000 2.954 789 R HA 0.118 4.458 4.340 0.000 0.000 0.276 789 R C 1.543 177.850 176.300 0.013 0.000 1.218 789 R CA -0.497 55.641 56.100 0.063 0.000 1.149 789 R CB -0.327 30.020 30.300 0.078 0.000 1.112 789 R HN 0.342 nan 8.270 nan 0.000 0.577 790 M N 0.068 119.604 119.600 -0.107 0.000 2.159 790 M HA -0.127 4.353 4.480 0.000 0.000 0.263 790 M C 0.424 176.559 176.300 -0.275 0.000 1.063 790 M CA 1.850 56.987 55.300 -0.272 0.000 1.110 790 M CB 0.115 32.404 32.600 -0.518 0.000 1.374 790 M HN 0.420 nan 8.290 nan 0.000 0.411 791 Y N -0.163 120.177 120.300 0.065 0.000 2.571 791 Y HA 0.335 4.885 4.550 0.000 0.000 0.275 791 Y C 0.738 176.689 175.900 0.084 0.000 1.179 791 Y CA -0.576 57.572 58.100 0.081 0.000 1.242 791 Y CB -0.361 38.144 38.460 0.076 0.000 1.126 791 Y HN 0.017 nan 8.280 nan 0.000 0.524 792 S N 0.207 116.026 115.700 0.198 0.000 2.645 792 S HA 0.063 4.533 4.470 0.000 0.000 0.266 792 S C 0.952 175.698 174.600 0.243 0.000 1.258 792 S CA -0.665 57.657 58.200 0.203 0.000 0.990 792 S CB 0.613 63.969 63.200 0.261 0.000 0.967 792 S HN 0.374 nan 8.310 nan 0.000 0.556 793 F N 1.598 121.619 119.950 0.117 0.000 2.031 793 F HA -0.078 4.449 4.527 0.000 0.000 0.295 793 F C 1.828 177.784 175.800 0.259 0.000 1.133 793 F CA 1.375 59.454 58.000 0.133 0.000 1.188 793 F CB -0.766 38.251 39.000 0.028 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.416 121.212 119.950 -0.258 0.000 2.065 794 F HA -0.231 4.296 4.527 0.000 0.000 0.298 794 F C 2.743 178.468 175.800 -0.123 0.000 1.112 794 F CA 2.309 60.099 58.000 -0.349 0.000 1.212 794 F CB -0.667 38.241 39.000 -0.153 0.000 0.975 794 F HN 0.018 nan 8.300 nan 0.000 0.476 795 R N 0.891 121.438 120.500 0.080 0.000 2.154 795 R HA -0.192 4.148 4.340 0.000 0.000 0.248 795 R C 1.314 177.569 176.300 -0.075 0.000 1.155 795 R CA 2.220 58.328 56.100 0.014 0.000 0.979 795 R CB -0.713 29.634 30.300 0.078 0.000 0.869 795 R HN 0.355 nan 8.270 nan 0.000 0.452 796 N N -0.791 117.882 118.700 -0.045 0.000 2.205 796 N HA -0.029 4.711 4.740 0.000 0.000 0.201 796 N C -0.768 174.765 175.510 0.038 0.000 1.128 796 N CA -0.087 52.974 53.050 0.018 0.000 0.867 796 N CB 0.264 38.819 38.487 0.114 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.088 122.845 119.950 -0.322 0.000 2.471 797 F HA 0.176 4.703 4.527 0.000 0.000 0.365 797 F C -0.031 175.652 175.800 -0.195 0.000 1.095 797 F CA -0.251 57.575 58.000 -0.290 0.000 1.174 797 F CB 0.532 39.131 39.000 -0.668 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.915 128.466 119.800 -0.415 0.000 2.674 798 Q HA 0.278 4.618 4.340 0.000 0.000 0.249 798 Q C -2.642 173.108 176.000 -0.417 0.000 1.011 798 Q CA -1.932 53.624 55.803 -0.411 0.000 0.734 798 Q CB 1.438 30.080 28.738 -0.160 0.000 1.201 798 Q HN 0.450 nan 8.270 nan 0.000 0.498 799 P HA 0.266 nan 4.420 nan 0.000 0.275 799 P C -0.516 176.718 177.300 -0.111 0.000 1.227 799 P CA -0.101 62.808 63.100 -0.318 0.000 0.781 799 P CB 1.070 32.542 31.700 -0.380 0.000 0.906 800 M N 1.134 120.745 119.600 0.019 0.000 2.531 800 M HA 0.440 4.920 4.480 0.000 0.000 0.286 800 M C -0.459 176.046 176.300 0.341 0.000 1.232 800 M CA -0.365 55.012 55.300 0.129 0.000 0.877 800 M CB 2.714 35.324 32.600 0.018 0.000 1.726 800 M HN 0.195 nan 8.290 nan 0.000 0.463 801 S N 0.528 116.475 115.700 0.412 0.000 2.579 801 S HA 0.874 5.344 4.470 0.000 0.000 0.272 801 S C -1.475 173.176 174.600 0.084 0.000 1.141 801 S CA -0.955 57.428 58.200 0.304 0.000 0.843 801 S CB 2.732 66.010 63.200 0.130 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.610 120.952 120.500 -0.263 0.000 2.728 802 R HA 0.695 5.035 4.340 0.000 0.000 0.274 802 R C -2.117 173.966 176.300 -0.360 0.000 1.030 802 R CA -0.956 54.877 56.100 -0.445 0.000 0.876 802 R CB 0.740 30.427 30.300 -1.022 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.221 119.852 119.800 -0.282 0.000 2.351 803 Q HA 0.714 5.054 4.340 0.000 0.000 0.273 803 Q C -1.178 174.696 176.000 -0.210 0.000 1.077 803 Q CA -0.680 55.000 55.803 -0.205 0.000 0.843 803 Q CB 2.895 31.551 28.738 -0.137 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.231 117.584 119.914 -0.164 0.000 3.120 804 V HA 0.697 4.817 4.120 0.000 0.000 0.303 804 V C -0.364 175.660 176.094 -0.117 0.000 1.238 804 V CA -1.413 60.811 62.300 -0.126 0.000 1.008 804 V CB 1.223 32.979 31.823 -0.111 0.000 1.064 804 V HN 0.651 nan 8.190 nan 0.000 0.434 805 V N -0.435 119.418 119.914 -0.101 0.000 2.720 805 V HA 0.191 4.311 4.120 0.000 0.000 0.307 805 V C 0.395 176.379 176.094 -0.184 0.000 1.071 805 V CA 0.446 62.638 62.300 -0.180 0.000 1.199 805 V CB 0.260 31.967 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.327 124.616 120.400 -0.185 0.000 2.374 806 D HA 0.043 4.683 4.640 0.000 0.000 0.240 806 D C 1.103 177.258 176.300 -0.243 0.000 1.229 806 D CA -0.065 53.837 54.000 -0.164 0.000 0.895 806 D CB 0.963 41.703 40.800 -0.100 0.000 1.046 806 D HN 0.864 nan 8.370 nan 0.000 0.498 807 D N 1.566 121.713 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 0.000 0.000 0.222 807 D C 1.165 177.236 176.300 -0.383 0.000 0.976 807 D CA 0.631 54.144 54.000 -0.813 0.000 0.915 807 D CB -0.071 40.143 40.800 -0.978 0.000 0.896 807 D HN 0.414 nan 8.370 nan 0.000 0.523 808 T N -3.537 110.904 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 0.000 0.000 0.260 808 T C 1.398 176.072 174.700 -0.045 0.000 1.019 808 T CA -0.407 61.639 62.100 -0.089 0.000 0.921 808 T CB 0.357 69.186 68.868 -0.065 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.495 119.886 120.400 -0.032 0.000 2.502 809 K HA 0.221 4.541 4.320 0.000 0.000 0.211 809 K C -0.653 175.983 176.600 0.060 0.000 1.259 809 K CA -0.400 55.889 56.287 0.004 0.000 0.983 809 K CB 0.709 33.208 32.500 -0.003 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.441 123.690 120.300 -0.085 0.000 2.556 810 Y HA 0.103 4.653 4.550 0.000 0.000 0.352 810 Y C 0.842 176.736 175.900 -0.011 0.000 1.006 810 Y CA -0.596 57.463 58.100 -0.068 0.000 1.277 810 Y CB 0.262 38.648 38.460 -0.125 0.000 1.136 810 Y HN -0.101 nan 8.280 nan 0.000 0.523 811 K N 2.289 122.516 120.400 -0.287 0.000 2.077 811 K HA -0.224 4.096 4.320 0.000 0.000 0.213 811 K C 0.581 176.936 176.600 -0.408 0.000 1.051 811 K CA 2.158 58.273 56.287 -0.288 0.000 0.929 811 K CB 0.075 32.454 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.233 119.666 120.400 -0.836 0.000 2.319 812 D HA -0.060 4.580 4.640 0.000 0.000 0.230 812 D C -0.036 176.057 176.300 -0.345 0.000 1.094 812 D CA 0.026 53.692 54.000 -0.556 0.000 0.856 812 D CB -0.320 40.213 40.800 -0.444 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.353 122.406 120.300 -0.412 0.000 2.811 813 Y HA -0.060 4.490 4.550 0.000 0.000 0.334 813 Y C 0.096 176.056 175.900 0.100 0.000 1.247 813 Y CA 0.527 58.629 58.100 0.002 0.000 1.526 813 Y CB 0.354 38.843 38.460 0.047 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.785 125.220 119.800 -0.609 0.000 2.263 814 Q HA 0.147 4.487 4.340 0.000 0.000 0.266 814 Q C -1.340 174.262 176.000 -0.662 0.000 1.002 814 Q CA -0.706 54.826 55.803 -0.452 0.000 0.790 814 Q CB 2.005 30.677 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.409 121.918 119.800 -0.484 0.000 2.323 815 Q HA 0.418 4.758 4.340 0.000 0.000 0.257 815 Q C -1.058 174.911 176.000 -0.051 0.000 1.022 815 Q CA -0.163 55.537 55.803 -0.171 0.000 0.919 815 Q CB 0.665 29.450 28.738 0.078 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.637 123.539 119.914 -0.020 0.000 2.487 816 V HA 0.593 4.713 4.120 0.000 0.000 0.298 816 V C 0.550 176.601 176.094 -0.073 0.000 1.028 816 V CA -0.727 61.552 62.300 -0.035 0.000 0.860 816 V CB 1.569 33.348 31.823 -0.074 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.270 111.059 108.800 -0.017 0.000 2.522 817 G HA2 0.504 4.464 3.960 0.000 0.000 0.304 817 G HA3 0.504 4.464 3.960 0.000 0.000 0.304 817 G C 0.852 175.679 174.900 -0.122 0.000 1.210 817 G CA -0.536 44.533 45.100 -0.052 0.000 0.960 817 G HN 0.741 nan 8.290 nan 0.000 0.497 818 I N -0.537 119.955 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 0.000 0.000 0.249 818 I C 2.487 178.530 176.117 -0.125 0.000 1.102 818 I CA 1.098 62.317 61.300 -0.135 0.000 1.365 818 I CB -0.992 36.950 38.000 -0.096 0.000 1.051 818 I HN 0.364 nan 8.210 nan 0.000 0.420 819 L N -0.263 120.856 121.223 -0.173 0.000 2.129 819 L HA -0.246 4.094 4.340 0.000 0.000 0.212 819 L C 1.685 178.296 176.870 -0.432 0.000 1.087 819 L CA 1.812 56.466 54.840 -0.310 0.000 0.757 819 L CB -0.712 41.087 42.059 -0.433 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.586 116.501 119.070 0.030 0.000 2.785 820 H HA 0.232 4.788 4.556 0.000 0.000 0.268 820 H C -0.126 175.192 175.328 -0.017 0.000 1.153 820 H CA -0.359 55.707 56.048 0.030 0.000 1.111 820 H CB 0.387 30.149 29.762 -0.000 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.364 121.156 119.800 -0.013 0.000 2.243 821 Q HA 0.299 4.639 4.340 0.000 0.000 0.252 821 Q C -0.655 175.372 176.000 0.045 0.000 0.909 821 Q CA -0.670 55.061 55.803 -0.120 0.000 0.922 821 Q CB 1.160 29.691 28.738 -0.345 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.350 118.761 119.070 0.068 0.000 2.840 822 H HA 0.566 5.122 4.556 0.000 0.000 0.340 822 H C -1.462 173.923 175.328 0.095 0.000 1.004 822 H CA -0.954 55.149 56.048 0.091 0.000 1.288 822 H CB 1.089 30.890 29.762 0.064 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.145 121.992 118.700 0.245 0.000 2.519 823 N HA 0.182 4.922 4.740 0.000 0.000 0.291 823 N C -0.742 174.935 175.510 0.279 0.000 1.107 823 N CA -0.376 52.778 53.050 0.174 0.000 0.904 823 N CB 0.908 39.350 38.487 -0.075 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.221 119.098 118.700 0.294 0.000 2.882 824 N HA -0.157 4.583 4.740 0.000 0.000 0.249 824 N C -0.669 175.049 175.510 0.347 0.000 1.079 824 N CA 1.044 54.330 53.050 0.393 0.000 0.800 824 N CB -1.455 37.231 38.487 0.333 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.887 114.943 115.700 0.216 0.000 2.552 825 S HA 0.395 4.865 4.470 0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.201 0.000 1.304 825 S CA 0.984 59.206 58.200 0.037 0.000 1.063 825 S CB 1.536 64.729 63.200 -0.012 0.000 0.848 825 S HN 1.029 nan 8.310 nan 0.000 0.499 826 G N 1.978 110.601 108.800 -0.294 0.000 2.268 826 G HA2 -0.256 3.704 3.960 0.000 0.000 0.240 826 G HA3 -0.256 3.704 3.960 0.000 0.000 0.240 826 G C 0.243 174.752 174.900 -0.651 0.000 1.010 826 G CA 0.369 45.130 45.100 -0.564 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.545 120.503 119.950 0.015 0.000 2.706 827 F HA 0.610 5.137 4.527 0.000 0.000 0.308 827 F C 0.985 176.786 175.800 0.003 0.000 1.095 827 F CA -0.190 57.816 58.000 0.010 0.000 1.244 827 F CB 0.849 39.863 39.000 0.023 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.932 119.055 119.914 0.123 0.000 3.126 828 V HA 0.766 4.886 4.120 0.000 0.000 0.314 828 V C 0.522 176.628 176.094 0.021 0.000 1.138 828 V CA -1.221 61.121 62.300 0.070 0.000 1.034 828 V CB 1.505 33.388 31.823 0.100 0.000 1.075 828 V HN 0.077 nan 8.190 nan 0.000 0.442 829 G N -0.579 108.215 108.800 -0.010 0.000 2.599 829 G HA2 0.364 4.324 3.960 0.000 0.000 0.264 829 G HA3 0.364 4.324 3.960 0.000 0.000 0.264 829 G C -1.242 173.696 174.900 0.063 0.000 1.200 829 G CA -0.146 44.944 45.100 -0.017 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.019 121.272 120.300 -0.078 0.000 2.404 830 Y HA 0.364 4.914 4.550 0.000 0.000 0.344 830 Y C 1.052 176.930 175.900 -0.036 0.000 0.970 830 Y CA -0.958 57.107 58.100 -0.059 0.000 1.180 830 Y CB 0.330 38.743 38.460 -0.078 0.000 1.138 830 Y HN 0.463 nan 8.280 nan 0.000 0.510 831 L N 4.191 125.179 121.223 -0.392 0.000 3.976 831 L HA -0.341 3.999 4.340 0.000 0.000 0.418 831 L C -0.212 176.611 176.870 -0.077 0.000 1.177 831 L CA 0.787 55.415 54.840 -0.353 0.000 0.968 831 L CB -2.055 39.586 42.059 -0.696 0.000 1.933 831 L HN 0.719 nan 8.230 nan 0.000 0.976 832 A N -1.246 121.535 122.820 -0.066 0.000 2.601 832 A HA 0.728 5.048 4.320 0.000 0.000 0.291 832 A C -2.464 175.042 177.584 -0.130 0.000 1.075 832 A CA -0.635 51.374 52.037 -0.046 0.000 0.671 832 A CB 1.211 20.209 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.133 nan 4.420 nan 0.000 0.243 833 P C 0.345 177.514 177.300 -0.218 0.000 1.668 833 P CA 0.495 63.396 63.100 -0.331 0.000 0.898 833 P CB -0.581 30.831 31.700 -0.480 0.000 1.637 834 T N -3.984 110.474 114.554 -0.160 0.000 2.892 834 T HA 0.410 4.760 4.350 0.000 0.000 0.280 834 T C 0.599 175.212 174.700 -0.145 0.000 1.004 834 T CA -1.106 60.903 62.100 -0.151 0.000 0.950 834 T CB 0.484 69.255 68.868 -0.162 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.806 121.312 119.600 -0.158 0.000 2.245 835 M HA 0.110 4.590 4.480 0.000 0.000 0.335 835 M C 0.337 176.573 176.300 -0.108 0.000 1.155 835 M CA -0.491 54.730 55.300 -0.131 0.000 1.055 835 M CB 0.419 32.930 32.600 -0.148 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.566 124.023 120.500 -0.071 0.000 2.734 836 R HA 0.220 4.560 4.340 0.000 0.000 0.266 836 R C -0.745 175.504 176.300 -0.086 0.000 1.044 836 R CA 0.052 56.120 56.100 -0.054 0.000 1.128 836 R CB 0.034 30.326 30.300 -0.014 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.356 119.785 120.200 -0.097 0.000 2.437 837 E HA 0.583 4.933 4.350 0.000 0.000 0.280 837 E C -0.434 176.070 176.600 -0.160 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.125 0.000 0.826 837 E CB 0.985 30.617 29.700 -0.114 0.000 1.358 837 E HN 0.895 nan 8.360 nan 0.000 0.459 838 G N 0.553 109.243 108.800 -0.183 0.000 2.548 838 G HA2 -0.029 3.931 3.960 0.000 0.000 0.208 838 G HA3 -0.029 3.931 3.960 0.000 0.000 0.208 838 G C -1.147 173.605 174.900 -0.248 0.000 1.308 838 G CA -0.058 44.909 45.100 -0.221 0.000 0.924 838 G HN 0.974 nan 8.290 nan 0.000 0.540 839 Q N -0.988 118.651 119.800 -0.268 0.000 2.416 839 Q HA 0.783 5.123 4.340 0.000 0.000 0.281 839 Q C -0.051 175.809 176.000 -0.233 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.251 0.000 0.809 839 Q CB 1.906 30.527 28.738 -0.196 0.000 1.418 839 Q HN 2.223 nan 8.270 nan 0.000 0.411 840 A N 1.612 124.310 122.820 -0.203 0.000 2.507 840 A HA 0.457 4.777 4.320 0.000 0.000 0.235 840 A C -1.125 176.570 177.584 0.185 0.000 1.070 840 A CA 0.470 52.493 52.037 -0.024 0.000 0.768 840 A CB 0.047 19.119 19.000 0.119 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.309 120.615 120.300 0.011 0.000 2.643 841 Y HA 0.331 4.881 4.550 0.000 0.000 0.347 841 Y C -2.445 173.502 175.900 0.079 0.000 1.208 841 Y CA -1.324 56.775 58.100 -0.002 0.000 1.245 841 Y CB 1.287 39.672 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.300 nan 4.420 nan 0.000 0.264 842 P C -0.663 176.750 177.300 0.189 0.000 1.183 842 P CA 0.141 63.231 63.100 -0.017 0.000 0.763 842 P CB 0.705 32.317 31.700 -0.147 0.000 0.807 843 A N 3.295 126.192 122.820 0.127 0.000 2.386 843 A HA 0.156 4.476 4.320 0.000 0.000 0.248 843 A C 1.148 178.700 177.584 -0.053 0.000 1.082 843 A CA -0.320 51.771 52.037 0.091 0.000 0.789 843 A CB -0.127 18.862 19.000 -0.018 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.251 118.294 118.700 -0.258 0.000 2.177 844 N HA 0.230 4.970 4.740 0.000 0.000 0.218 844 N C -0.760 174.635 175.510 -0.191 0.000 1.182 844 N CA -0.074 52.816 53.050 -0.266 0.000 0.882 844 N CB 0.310 38.533 38.487 -0.439 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.945 120.665 119.950 -0.384 0.000 2.650 845 F HA 0.602 5.129 4.527 0.000 0.000 0.310 845 F C -2.880 172.649 175.800 -0.451 0.000 1.112 845 F CA -1.484 56.281 58.000 -0.393 0.000 0.986 845 F CB 2.156 40.978 39.000 -0.296 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.287 846 P C -1.424 175.493 177.300 -0.638 0.000 1.296 846 P CA -0.314 61.973 63.100 -1.356 0.000 0.811 846 P CB 1.250 32.249 31.700 -1.168 0.000 1.211 847 Y N -0.180 119.887 120.300 -0.388 0.000 2.411 847 Y HA 0.200 4.750 4.550 0.000 0.000 0.333 847 Y C -1.442 174.335 175.900 -0.204 0.000 1.186 847 Y CA -1.263 56.710 58.100 -0.211 0.000 1.381 847 Y CB -0.991 37.374 38.460 -0.159 0.000 1.273 847 Y HN 0.213 nan 8.280 nan 0.000 0.546 848 P HA 0.140 nan 4.420 nan 0.000 0.276 848 P C -0.021 177.242 177.300 -0.061 0.000 1.243 848 P CA 0.173 63.252 63.100 -0.034 0.000 0.768 848 P CB 0.582 32.270 31.700 -0.020 0.000 0.856 849 L N 3.334 124.517 121.223 -0.066 0.000 2.640 849 L HA 0.299 4.639 4.340 0.000 0.000 0.230 849 L C 0.935 177.766 176.870 -0.065 0.000 1.123 849 L CA 0.095 54.887 54.840 -0.081 0.000 0.900 849 L CB -0.127 41.883 42.059 -0.082 0.000 1.146 849 L HN 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.040 116.500 120.570 -0.049 0.000 3.042 850 I HA 0.895 5.065 4.170 0.000 0.000 0.310 850 I C 0.422 176.522 176.117 -0.029 0.000 1.117 850 I CA -0.634 60.644 61.300 -0.036 0.000 1.003 850 I CB 1.789 39.772 38.000 -0.028 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.275 112.061 108.800 -0.022 0.000 2.693 851 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 851 G C 0.155 175.047 174.900 -0.014 0.000 1.354 851 G CA 0.252 45.342 45.100 -0.016 0.000 0.873 851 G HN 0.925 nan 8.290 nan 0.000 0.562 852 K N -0.234 120.162 120.400 -0.007 0.000 2.097 852 K HA -0.095 4.225 4.320 0.000 0.000 0.206 852 K C 2.999 179.600 176.600 0.002 0.000 1.049 852 K CA 2.303 58.590 56.287 -0.001 0.000 0.933 852 K CB -0.447 32.056 32.500 0.004 0.000 0.717 852 K HN 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.074 114.480 114.554 0.001 0.000 2.788 853 T HA -0.046 4.304 4.350 0.000 0.000 0.268 853 T C 1.114 175.805 174.700 -0.016 0.000 1.044 853 T CA 0.552 62.656 62.100 0.006 0.000 1.139 853 T CB -0.427 68.444 68.868 0.004 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.581 125.379 122.820 -0.037 0.000 2.584 854 A HA 0.437 4.757 4.320 0.000 0.000 0.239 854 A C 0.737 178.248 177.584 -0.121 0.000 1.043 854 A CA -0.044 51.947 52.037 -0.077 0.000 0.756 854 A CB -0.417 18.544 19.000 -0.065 0.000 0.963 854 A HN 1.068 nan 8.150 nan 0.000 0.511 855 V N 1.848 121.617 119.914 -0.241 0.000 2.834 855 V HA 0.319 4.439 4.120 0.000 0.000 0.301 855 V C 0.048 175.942 176.094 -0.333 0.000 1.066 855 V CA -1.034 60.971 62.300 -0.492 0.000 1.052 855 V CB 0.965 32.244 31.823 -0.906 0.000 1.021 855 V HN 0.789 nan 8.190 nan 0.000 0.480 856 D N 3.588 123.820 120.400 -0.280 0.000 2.487 856 D HA 0.231 4.871 4.640 0.000 0.000 0.243 856 D C 0.409 176.608 176.300 -0.168 0.000 1.154 856 D CA 0.821 54.748 54.000 -0.123 0.000 0.876 856 D CB 0.975 41.775 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.027 117.653 115.700 -0.124 0.000 2.677 857 S HA 0.760 5.230 4.470 0.000 0.000 0.304 857 S C -0.264 174.280 174.600 -0.093 0.000 1.108 857 S CA -0.970 57.156 58.200 -0.124 0.000 0.944 857 S CB 2.209 65.336 63.200 -0.122 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.452 120.965 120.570 -0.096 0.000 2.730 858 I HA 0.526 4.696 4.170 0.000 0.000 0.298 858 I C -1.080 174.987 176.117 -0.083 0.000 1.089 858 I CA -0.380 60.875 61.300 -0.075 0.000 1.041 858 I CB 2.376 40.334 38.000 -0.070 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.626 120.145 114.554 -0.059 0.000 2.867 859 T HA 0.432 4.782 4.350 0.000 0.000 0.282 859 T C -0.907 173.770 174.700 -0.037 0.000 1.000 859 T CA -0.474 61.589 62.100 -0.061 0.000 1.042 859 T CB 1.266 70.116 68.868 -0.031 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.876 121.639 119.800 -0.062 0.000 2.337 860 Q HA 0.529 4.869 4.340 0.000 0.000 0.270 860 Q C -0.880 175.225 176.000 0.174 0.000 1.043 860 Q CA -0.793 55.032 55.803 0.038 0.000 0.794 860 Q CB 2.777 31.514 28.738 -0.003 0.000 1.281 860 Q HN 0.404 nan 8.270 nan 0.000 0.446 861 K N 1.983 122.533 120.400 0.250 0.000 2.316 861 K HA 0.535 4.855 4.320 0.000 0.000 0.251 861 K C -0.994 175.779 176.600 0.289 0.000 0.934 861 K CA -0.488 55.974 56.287 0.292 0.000 0.802 861 K CB 1.740 34.356 32.500 0.193 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.808 121.354 120.400 0.244 0.000 2.544 862 K HA 0.515 4.835 4.320 0.000 0.000 0.282 862 K C -1.536 175.167 176.600 0.173 0.000 1.020 862 K CA -0.948 55.421 56.287 0.137 0.000 0.830 862 K CB 1.069 33.527 32.500 -0.070 0.000 1.521 862 K HN 0.421 nan 8.250 nan 0.000 0.376 863 F N -1.134 118.824 119.950 0.015 0.000 2.741 863 F HA 0.713 5.240 4.527 0.000 0.000 0.311 863 F C -2.373 173.438 175.800 0.019 0.000 1.149 863 F CA -1.169 56.831 58.000 -0.000 0.000 0.930 863 F CB 1.038 40.139 39.000 0.168 0.000 1.312 863 F HN 0.354 nan 8.300 nan 0.000 0.450 864 L N 1.913 123.222 121.223 0.144 0.000 2.341 864 L HA 0.748 5.088 4.340 0.000 0.000 0.267 864 L C -0.957 176.189 176.870 0.459 0.000 1.009 864 L CA -0.741 54.132 54.840 0.054 0.000 0.819 864 L CB 2.017 44.010 42.059 -0.109 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.093 121.653 119.300 0.432 0.000 3.166 865 C HA 0.342 4.802 4.460 0.000 0.000 0.277 865 C C -0.689 174.469 174.990 0.281 0.000 0.984 865 C CA -0.843 58.432 59.018 0.429 0.000 1.142 865 C CB -0.963 27.163 27.740 0.642 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.662 122.245 120.400 0.304 0.000 2.371 866 D HA 0.227 4.867 4.640 0.000 0.000 0.242 866 D C 0.982 177.510 176.300 0.381 0.000 1.218 866 D CA 0.135 54.370 54.000 0.393 0.000 0.945 866 D CB 0.437 41.541 40.800 0.506 0.000 1.137 866 D HN 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.764 119.035 120.500 0.499 0.000 3.484 867 R HA -0.238 4.102 4.340 0.000 0.000 0.260 867 R C -0.667 175.920 176.300 0.478 0.000 1.053 867 R CA 0.961 57.364 56.100 0.505 0.000 0.703 867 R CB -2.545 28.042 30.300 0.479 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.281 114.454 114.554 0.302 0.000 2.865 868 T HA 0.717 5.067 4.350 0.000 0.000 0.294 868 T C -0.999 173.594 174.700 -0.178 0.000 1.119 868 T CA -0.865 61.306 62.100 0.119 0.000 1.007 868 T CB 1.401 70.310 68.868 0.070 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.896 122.952 121.223 -0.279 0.000 2.346 869 L HA 0.553 4.893 4.340 0.000 0.000 0.276 869 L C -0.617 175.989 176.870 -0.440 0.000 1.006 869 L CA -0.972 53.564 54.840 -0.505 0.000 0.817 869 L CB 1.760 43.547 42.059 -0.452 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.773 123.711 121.300 -0.602 0.000 2.181 870 W HA 0.339 4.999 4.660 0.000 0.000 0.335 870 W C 0.244 176.373 176.519 -0.651 0.000 1.310 870 W CA -0.504 56.433 57.345 -0.680 0.000 1.226 870 W CB 0.609 29.315 29.460 -1.257 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.189 123.569 120.500 -0.200 0.000 2.628 871 R HA 0.569 4.909 4.340 0.000 0.000 0.288 871 R C -1.047 175.137 176.300 -0.193 0.000 0.980 871 R CA -0.956 55.030 56.100 -0.190 0.000 0.891 871 R CB 1.873 32.041 30.300 -0.220 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.196 124.781 120.570 0.024 0.000 2.583 872 I HA 0.264 4.434 4.170 0.000 0.000 0.276 872 I C -2.297 174.045 176.117 0.376 0.000 1.089 872 I CA -2.080 59.286 61.300 0.110 0.000 1.103 872 I CB 2.063 40.102 38.000 0.065 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.057 nan 4.420 nan 0.000 0.275 873 P C -0.481 177.124 177.300 0.508 0.000 1.228 873 P CA -0.259 63.005 63.100 0.273 0.000 0.786 873 P CB 1.014 32.823 31.700 0.181 0.000 0.927 874 F N 2.428 122.370 119.950 -0.014 0.000 2.640 874 F HA 0.298 4.825 4.527 0.000 0.000 0.354 874 F C 0.354 176.203 175.800 0.082 0.000 1.213 874 F CA -0.144 57.837 58.000 -0.032 0.000 1.314 874 F CB -0.596 38.128 39.000 -0.459 0.000 1.679 874 F HN 0.118 nan 8.300 nan 0.000 0.622 875 S N 0.647 116.460 115.700 0.188 0.000 2.538 875 S HA 0.311 4.781 4.470 0.000 0.000 0.288 875 S C 0.970 175.525 174.600 -0.075 0.000 1.108 875 S CA -0.070 58.144 58.200 0.024 0.000 0.971 875 S CB 1.252 64.495 63.200 0.071 0.000 1.041 875 S HN 0.504 nan 8.310 nan 0.000 0.483 876 S N 3.464 119.086 115.700 -0.131 0.000 2.420 876 S HA -0.182 4.288 4.470 0.000 0.000 0.237 876 S C 0.925 175.331 174.600 -0.322 0.000 1.023 876 S CA 1.795 59.875 58.200 -0.200 0.000 0.991 876 S CB -0.629 62.489 63.200 -0.137 0.000 0.792 876 S HN 0.869 nan 8.310 nan 0.000 0.488 877 N N -0.554 118.008 118.700 -0.230 0.000 2.197 877 N HA 0.245 4.985 4.740 0.000 0.000 0.228 877 N C 0.269 175.807 175.510 0.047 0.000 1.212 877 N CA -0.377 52.586 53.050 -0.145 0.000 0.883 877 N CB -0.962 37.502 38.487 -0.039 0.000 1.107 877 N HN 0.429 nan 8.380 nan 0.000 0.519 878 F N -1.248 118.783 119.950 0.134 0.000 2.825 878 F HA -0.306 4.221 4.527 0.000 0.000 0.358 878 F C 0.455 176.284 175.800 0.048 0.000 0.639 878 F CA 0.526 58.589 58.000 0.105 0.000 1.153 878 F CB -1.460 37.581 39.000 0.070 0.000 1.610 878 F HN 0.081 nan 8.300 nan 0.000 0.305 879 M N 0.085 119.807 119.600 0.203 0.000 2.227 879 M HA 0.303 4.783 4.480 0.000 0.000 0.316 879 M C 0.605 176.945 176.300 0.067 0.000 1.144 879 M CA 0.009 55.383 55.300 0.124 0.000 1.121 879 M CB 0.928 33.610 32.600 0.138 0.000 1.440 879 M HN -0.088 nan 8.290 nan 0.000 0.473 880 S N 2.196 117.917 115.700 0.035 0.000 2.430 880 S HA 0.407 4.877 4.470 0.000 0.000 0.289 880 S C 0.214 174.826 174.600 0.020 0.000 1.143 880 S CA -0.419 57.788 58.200 0.012 0.000 1.067 880 S CB 0.292 63.485 63.200 -0.011 0.000 0.964 880 S HN 0.652 nan 8.310 nan 0.000 0.485 881 M N 2.388 121.997 119.600 0.017 0.000 2.504 881 M HA 0.327 4.807 4.480 0.000 0.000 0.370 881 M C 0.513 176.823 176.300 0.016 0.000 1.110 881 M CA -0.202 55.108 55.300 0.017 0.000 0.938 881 M CB 0.977 33.584 32.600 0.012 0.000 1.460 881 M HN 0.817 nan 8.290 nan 0.000 0.535 882 G N -0.171 108.638 108.800 0.016 0.000 2.307 882 G HA2 0.286 4.246 3.960 0.000 0.000 0.348 882 G HA3 0.286 4.246 3.960 0.000 0.000 0.348 882 G C 0.095 175.017 174.900 0.036 0.000 1.603 882 G CA -0.498 44.617 45.100 0.026 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.444 123.299 122.820 0.059 0.000 1.892 883 A HA 0.107 4.427 4.320 0.000 0.000 0.218 883 A C 1.646 179.365 177.584 0.224 0.000 1.188 883 A CA 2.165 54.253 52.037 0.085 0.000 0.631 883 A CB -0.305 18.793 19.000 0.163 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.285 123.679 121.223 0.284 0.000 2.334 884 L HA 0.292 4.632 4.340 0.000 0.000 0.286 884 L C 0.903 177.841 176.870 0.113 0.000 1.108 884 L CA 0.312 55.303 54.840 0.252 0.000 0.875 884 L CB -0.429 41.673 42.059 0.071 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.018 114.629 114.554 0.095 0.000 2.795 885 T HA 0.048 4.398 4.350 0.000 0.000 0.314 885 T C 1.109 175.816 174.700 0.012 0.000 1.069 885 T CA 0.186 62.306 62.100 0.033 0.000 1.071 885 T CB 0.505 69.381 68.868 0.013 0.000 0.988 885 T HN 0.692 nan 8.240 nan 0.000 0.543 886 D N 1.223 121.610 120.400 -0.021 0.000 2.117 886 D HA -0.123 4.517 4.640 0.000 0.000 0.198 886 D C 2.074 178.343 176.300 -0.052 0.000 0.982 886 D CA 1.110 55.093 54.000 -0.029 0.000 0.828 886 D CB -0.609 40.170 40.800 -0.036 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.392 121.522 121.223 -0.154 0.000 2.141 887 L HA 0.065 4.405 4.340 0.000 0.000 0.209 887 L C 2.673 179.403 176.870 -0.233 0.000 1.094 887 L CA 1.187 55.843 54.840 -0.306 0.000 0.763 887 L CB -0.681 40.824 42.059 -0.924 0.000 0.908 887 L HN 0.200 nan 8.230 nan 0.000 0.437 888 G N 0.005 108.777 108.800 -0.046 0.000 2.470 888 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 888 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 888 G C 1.242 176.199 174.900 0.094 0.000 1.121 888 G CA 0.411 45.567 45.100 0.093 0.000 0.766 888 G HN 0.594 nan 8.290 nan 0.000 0.553 889 Q N -0.327 119.515 119.800 0.069 0.000 2.179 889 Q HA 0.188 4.528 4.340 0.000 0.000 0.213 889 Q C 0.179 176.243 176.000 0.107 0.000 0.833 889 Q CA -0.496 55.354 55.803 0.079 0.000 0.990 889 Q CB 0.144 28.906 28.738 0.041 0.000 1.132 889 Q HN 0.368 nan 8.270 nan 0.000 0.493 890 N N 1.081 119.882 118.700 0.168 0.000 2.497 890 N HA 0.060 4.800 4.740 0.000 0.000 0.268 890 N C 0.729 176.358 175.510 0.198 0.000 1.171 890 N CA -0.096 53.072 53.050 0.198 0.000 0.948 890 N CB 0.658 39.337 38.487 0.319 0.000 1.069 890 N HN 0.159 nan 8.380 nan 0.000 0.460 891 L N 2.888 124.176 121.223 0.108 0.000 2.189 891 L HA -0.197 4.143 4.340 0.000 0.000 0.214 891 L C 2.032 178.946 176.870 0.075 0.000 1.097 891 L CA 0.559 55.450 54.840 0.084 0.000 0.764 891 L CB -0.485 41.603 42.059 0.049 0.000 0.900 891 L HN 0.676 nan 8.230 nan 0.000 0.436 892 L N -0.819 120.419 121.223 0.024 0.000 2.042 892 L HA -0.246 4.094 4.340 0.000 0.000 0.210 892 L C 2.333 179.128 176.870 -0.126 0.000 1.076 892 L CA 1.954 56.734 54.840 -0.100 0.000 0.749 892 L CB -0.645 41.239 42.059 -0.292 0.000 0.893 892 L HN 0.106 nan 8.230 nan 0.000 0.432 893 Y N -0.436 119.872 120.300 0.013 0.000 2.153 893 Y HA 0.004 4.554 4.550 0.000 0.000 0.289 893 Y C 2.593 178.583 175.900 0.150 0.000 1.127 893 Y CA 1.361 59.495 58.100 0.058 0.000 1.131 893 Y CB -1.071 37.462 38.460 0.122 0.000 0.995 893 Y HN 0.258 nan 8.280 nan 0.000 0.505 894 A N 0.606 123.595 122.820 0.282 0.000 1.898 894 A HA -0.193 4.127 4.320 0.000 0.000 0.216 894 A C 1.920 179.586 177.584 0.136 0.000 1.181 894 A CA 1.929 54.077 52.037 0.185 0.000 0.620 894 A CB -0.714 18.369 19.000 0.138 0.000 0.819 894 A HN 0.438 nan 8.150 nan 0.000 0.442 895 N N 0.452 119.223 118.700 0.119 0.000 2.120 895 N HA -0.055 4.685 4.740 0.000 0.000 0.188 895 N C 0.670 176.232 175.510 0.087 0.000 1.024 895 N CA 1.330 54.431 53.050 0.085 0.000 0.852 895 N CB -0.282 38.243 38.487 0.064 0.000 1.003 895 N HN 0.581 nan 8.380 nan 0.000 0.424 896 S N -1.021 114.758 115.700 0.132 0.000 2.536 896 S HA 0.792 5.262 4.470 0.000 0.000 0.287 896 S C -0.507 174.199 174.600 0.177 0.000 1.101 896 S CA -1.101 57.157 58.200 0.096 0.000 0.950 896 S CB 2.602 65.813 63.200 0.019 0.000 1.056 896 S HN 0.285 nan 8.310 nan 0.000 0.481 897 A N 1.895 124.761 122.820 0.076 0.000 2.445 897 A HA 0.609 4.929 4.320 0.000 0.000 0.242 897 A C -0.368 177.250 177.584 0.057 0.000 1.075 897 A CA 0.077 52.197 52.037 0.139 0.000 0.777 897 A CB -0.301 18.729 19.000 0.050 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.948 118.312 119.070 0.318 0.000 2.895 898 H HA 0.651 5.207 4.556 0.000 0.000 0.373 898 H C -0.014 175.572 175.328 0.430 0.000 1.174 898 H CA 0.419 56.656 56.048 0.314 0.000 1.144 898 H CB 1.960 31.871 29.762 0.248 0.000 1.793 898 H HN 0.943 nan 8.280 nan 0.000 0.551 899 A N 1.703 124.754 122.820 0.386 0.000 2.312 899 A HA 0.638 4.958 4.320 0.000 0.000 0.328 899 A C -1.287 176.425 177.584 0.213 0.000 1.158 899 A CA -0.521 51.690 52.037 0.289 0.000 0.821 899 A CB 0.686 19.780 19.000 0.157 0.000 1.170 899 A HN 0.495 nan 8.150 nan 0.000 0.490 900 L N 1.214 122.519 121.223 0.136 0.000 2.365 900 L HA 0.681 5.021 4.340 0.000 0.000 0.273 900 L C -1.503 175.335 176.870 -0.053 0.000 1.000 900 L CA -0.195 54.566 54.840 -0.131 0.000 0.819 900 L CB 2.090 44.002 42.059 -0.245 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.459 125.776 120.400 -0.139 0.000 2.646 901 D HA 0.529 5.169 4.640 0.000 0.000 0.245 901 D C -0.924 175.285 176.300 -0.151 0.000 1.099 901 D CA -0.073 53.877 54.000 -0.083 0.000 0.849 901 D CB 2.395 43.162 40.800 -0.055 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.798 120.323 119.600 -0.124 0.000 2.457 902 M HA 0.327 4.807 4.480 0.000 0.000 0.300 902 M C -1.106 175.086 176.300 -0.180 0.000 1.141 902 M CA -0.456 54.703 55.300 -0.235 0.000 0.901 902 M CB 2.688 35.161 32.600 -0.212 0.000 1.687 902 M HN 0.092 nan 8.290 nan 0.000 0.449 903 T N 3.187 117.556 114.554 -0.309 0.000 2.906 903 T HA 0.560 4.910 4.350 0.000 0.000 0.302 903 T C -1.160 173.364 174.700 -0.293 0.000 1.002 903 T CA -0.359 61.636 62.100 -0.174 0.000 0.988 903 T CB 0.427 69.220 68.868 -0.124 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.965 121.825 119.950 -0.151 0.000 2.421 904 F HA 0.530 5.057 4.527 0.000 0.000 0.337 904 F C 0.774 176.523 175.800 -0.084 0.000 1.105 904 F CA -1.097 56.828 58.000 -0.125 0.000 1.049 904 F CB 1.361 40.307 39.000 -0.090 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.008 123.262 120.200 0.089 0.000 2.176 905 E HA 0.650 5.000 4.350 0.000 0.000 0.267 905 E C -1.502 175.103 176.600 0.008 0.000 0.893 905 E CA -0.742 55.672 56.400 0.022 0.000 0.761 905 E CB 1.617 31.305 29.700 -0.020 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.567 120.446 119.914 -0.058 0.000 3.141 906 V HA 0.546 4.666 4.120 0.000 0.000 0.312 906 V C -0.647 175.376 176.094 -0.117 0.000 1.157 906 V CA -1.115 61.092 62.300 -0.155 0.000 1.041 906 V CB 1.873 33.503 31.823 -0.322 0.000 1.071 906 V HN 0.574 nan 8.190 nan 0.000 0.441 907 D N 3.139 123.457 120.400 -0.136 0.000 2.389 907 D HA 0.386 5.026 4.640 0.000 0.000 0.247 907 D C -2.368 173.881 176.300 -0.085 0.000 1.128 907 D CA -0.881 53.067 54.000 -0.086 0.000 0.884 907 D CB 1.150 41.902 40.800 -0.080 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.179 nan 4.420 nan 0.000 0.275 908 P C -0.657 176.627 177.300 -0.027 0.000 1.227 908 P CA -0.261 62.817 63.100 -0.037 0.000 0.781 908 P CB 0.931 32.621 31.700 -0.017 0.000 0.906 909 M N 2.009 121.593 119.600 -0.026 0.000 2.395 909 M HA 0.170 4.650 4.480 0.000 0.000 0.307 909 M C 0.149 176.451 176.300 0.004 0.000 1.091 909 M CA -0.607 54.688 55.300 -0.007 0.000 0.919 909 M CB 1.997 34.585 32.600 -0.021 0.000 1.662 909 M HN 0.248 nan 8.290 nan 0.000 0.440 910 D N 0.828 121.240 120.400 0.021 0.000 2.494 910 D HA 0.011 4.651 4.640 0.000 0.000 0.249 910 D C -0.298 176.011 176.300 0.015 0.000 1.223 910 D CA 0.063 54.075 54.000 0.020 0.000 0.865 910 D CB -0.151 40.669 40.800 0.032 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.842 118.363 120.200 0.008 0.000 2.390 911 E HA 0.398 4.748 4.350 0.000 0.000 0.280 911 E C -3.258 173.339 176.600 -0.005 0.000 0.992 911 E CA -2.455 53.947 56.400 0.003 0.000 0.790 911 E CB 0.941 30.648 29.700 0.011 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.063 nan 4.420 nan 0.000 0.263 912 P C -0.638 176.655 177.300 -0.012 0.000 1.195 912 P CA 0.472 63.564 63.100 -0.013 0.000 0.762 912 P CB 0.702 32.392 31.700 -0.016 0.000 0.799 913 T N 0.925 115.471 114.554 -0.014 0.000 2.773 913 T HA 0.805 5.155 4.350 0.000 0.000 0.278 913 T C -0.790 173.910 174.700 -0.000 0.000 1.011 913 T CA -0.902 61.190 62.100 -0.013 0.000 1.014 913 T CB 0.884 69.731 68.868 -0.036 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.645 121.879 121.223 0.019 0.000 2.455 914 L HA 0.572 4.912 4.340 0.000 0.000 0.264 914 L C -1.386 175.545 176.870 0.101 0.000 0.968 914 L CA -1.216 53.655 54.840 0.051 0.000 0.827 914 L CB 2.282 44.363 42.059 0.037 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.079 124.376 121.223 0.123 0.000 2.260 915 L HA 0.306 4.646 4.340 0.000 0.000 0.289 915 L C -0.982 176.062 176.870 0.291 0.000 1.057 915 L CA 0.300 55.221 54.840 0.135 0.000 0.811 915 L CB 0.408 42.437 42.059 -0.050 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.881 126.278 120.300 0.160 0.000 2.434 916 Y HA 0.591 5.141 4.550 0.000 0.000 0.341 916 Y C -0.978 175.022 175.900 0.167 0.000 0.965 916 Y CA -1.138 57.075 58.100 0.188 0.000 1.205 916 Y CB 1.043 39.630 38.460 0.212 0.000 1.121 916 Y HN 0.387 nan 8.280 nan 0.000 0.507 917 V N 7.494 127.642 119.914 0.391 0.000 2.417 917 V HA 0.269 4.389 4.120 0.000 0.000 0.291 917 V C -0.339 175.794 176.094 0.065 0.000 1.024 917 V CA -0.880 61.494 62.300 0.124 0.000 0.861 917 V CB 1.538 33.438 31.823 0.130 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.229 126.360 121.223 -0.153 0.000 2.265 918 L HA 0.512 4.852 4.340 0.000 0.000 0.289 918 L C -0.680 176.112 176.870 -0.130 0.000 1.033 918 L CA 0.020 54.795 54.840 -0.109 0.000 0.814 918 L CB 0.937 42.857 42.059 -0.231 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.047 121.990 119.950 -0.011 0.000 2.368 919 F HA 0.234 4.761 4.527 0.000 0.000 0.362 919 F C 1.118 176.858 175.800 -0.101 0.000 1.137 919 F CA -0.559 57.456 58.000 0.025 0.000 1.161 919 F CB 0.595 39.490 39.000 -0.176 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.511 123.657 120.200 -0.089 0.000 2.351 920 E HA 0.311 4.661 4.350 0.000 0.000 0.266 920 E C 0.008 176.476 176.600 -0.219 0.000 1.031 920 E CA -0.149 56.100 56.400 -0.252 0.000 0.911 920 E CB 0.903 30.367 29.700 -0.394 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.165 119.961 119.914 -0.196 0.000 3.109 921 V HA 0.581 4.701 4.120 0.000 0.000 0.311 921 V C -1.203 174.697 176.094 -0.325 0.000 1.389 921 V CA -1.080 61.161 62.300 -0.098 0.000 1.034 921 V CB 1.070 32.957 31.823 0.107 0.000 1.105 921 V HN 0.415 nan 8.190 nan 0.000 0.477 922 F N 1.003 120.943 119.950 -0.018 0.000 2.426 922 F HA 0.690 5.217 4.527 0.000 0.000 0.348 922 F C -0.293 175.490 175.800 -0.029 0.000 1.124 922 F CA -0.142 57.833 58.000 -0.042 0.000 1.008 922 F CB 1.518 40.508 39.000 -0.017 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.077 124.488 120.400 0.019 0.000 2.462 923 D HA 0.458 5.098 4.640 0.000 0.000 0.249 923 D C -1.019 175.263 176.300 -0.030 0.000 1.117 923 D CA 0.022 54.005 54.000 -0.027 0.000 0.900 923 D CB 1.035 41.698 40.800 -0.228 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.904 121.918 119.914 0.166 0.000 3.019 924 V HA 0.724 4.844 4.120 0.000 0.000 0.317 924 V C -0.059 176.184 176.094 0.248 0.000 1.094 924 V CA -0.868 61.558 62.300 0.211 0.000 1.000 924 V CB 2.349 34.260 31.823 0.147 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.797 121.817 119.914 0.175 0.000 2.851 925 V HA 0.542 4.662 4.120 0.000 0.000 0.307 925 V C -0.577 175.502 176.094 -0.024 0.000 1.129 925 V CA -0.736 61.523 62.300 -0.068 0.000 0.932 925 V CB 2.072 33.706 31.823 -0.316 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.581 123.044 120.500 -0.061 0.000 2.437 926 R HA 0.790 5.130 4.340 0.000 0.000 0.310 926 R C -1.618 174.680 176.300 -0.004 0.000 0.955 926 R CA -0.382 55.699 56.100 -0.032 0.000 0.851 926 R CB 1.924 32.205 30.300 -0.031 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.545 124.483 119.914 0.040 0.000 2.398 927 V HA 0.306 4.426 4.120 0.000 0.000 0.286 927 V C -0.129 176.046 176.094 0.135 0.000 1.026 927 V CA -0.622 61.731 62.300 0.087 0.000 0.868 927 V CB 1.290 33.188 31.823 0.124 0.000 0.982 927 V HN 0.722 nan 8.190 nan 0.000 0.443 928 H N 5.489 124.572 119.070 0.021 0.000 2.489 928 H HA 0.559 5.115 4.556 0.000 0.000 0.343 928 H C -0.554 174.791 175.328 0.029 0.000 1.086 928 H CA -0.933 55.124 56.048 0.015 0.000 1.198 928 H CB 1.382 31.153 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.675 125.989 120.500 -0.310 0.000 2.681 929 R HA 0.148 4.488 4.340 0.000 0.000 0.277 929 R C -2.039 174.022 176.300 -0.399 0.000 1.563 929 R CA -1.540 54.413 56.100 -0.244 0.000 1.673 929 R CB 1.230 31.495 30.300 -0.060 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.158 nan 4.420 nan 0.000 0.216 930 P C -0.324 176.512 177.300 -0.773 0.000 1.150 930 P CA 1.539 64.218 63.100 -0.702 0.000 0.843 930 P CB 0.411 31.772 31.700 -0.566 0.000 0.787 931 H N -3.373 115.649 119.070 -0.080 0.000 2.977 931 H HA 0.421 4.977 4.556 0.000 0.000 0.350 931 H C -0.039 175.279 175.328 -0.018 0.000 1.238 931 H CA -1.065 54.963 56.048 -0.034 0.000 1.124 931 H CB 0.958 30.707 29.762 -0.021 0.000 1.866 931 H HN -0.195 nan 8.280 nan 0.000 0.550 932 R N 0.753 121.327 120.500 0.124 0.000 2.504 932 R HA 0.147 4.487 4.340 0.000 0.000 0.291 932 R C 0.489 176.789 176.300 0.000 0.000 0.974 932 R CA 1.443 57.574 56.100 0.052 0.000 1.077 932 R CB -0.433 29.886 30.300 0.030 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.475 111.228 108.800 -0.078 0.000 2.168 933 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 933 G C -0.342 174.511 174.900 -0.079 0.000 0.997 933 G CA 0.254 45.193 45.100 -0.268 0.000 0.708 933 G HN 0.511 nan 8.290 nan 0.000 0.520 934 V N 1.212 121.168 119.914 0.070 0.000 2.487 934 V HA 0.675 4.795 4.120 0.000 0.000 0.298 934 V C 0.229 176.407 176.094 0.141 0.000 1.028 934 V CA -0.739 61.624 62.300 0.105 0.000 0.860 934 V CB 1.855 33.741 31.823 0.105 0.000 0.991 934 V HN 0.296 nan 8.190 nan 0.000 0.427 935 I N 4.401 125.067 120.570 0.161 0.000 2.439 935 I HA 0.518 4.688 4.170 0.000 0.000 0.285 935 I C -0.417 175.776 176.117 0.126 0.000 1.021 935 I CA -0.437 60.945 61.300 0.137 0.000 1.091 935 I CB 1.989 40.080 38.000 0.152 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.564 124.840 120.200 0.125 0.000 2.199 936 E HA 0.574 4.924 4.350 0.000 0.000 0.269 936 E C -0.740 175.947 176.600 0.145 0.000 0.899 936 E CA -0.786 55.703 56.400 0.149 0.000 0.772 936 E CB 2.605 32.414 29.700 0.183 0.000 1.155 936 E HN 0.628 nan 8.360 nan 0.000 0.408 937 T N -1.633 113.006 114.554 0.141 0.000 2.893 937 T HA 0.605 4.955 4.350 0.000 0.000 0.291 937 T C -0.573 174.197 174.700 0.117 0.000 1.028 937 T CA -0.792 61.365 62.100 0.094 0.000 0.995 937 T CB 1.368 70.281 68.868 0.075 0.000 1.051 937 T HN 0.146 nan 8.240 nan 0.000 0.470 938 V N 2.770 122.705 119.914 0.036 0.000 2.443 938 V HA 0.417 4.537 4.120 0.000 0.000 0.293 938 V C -1.345 174.781 176.094 0.054 0.000 1.021 938 V CA -0.904 61.451 62.300 0.091 0.000 0.848 938 V CB 0.763 32.619 31.823 0.055 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.993 125.366 120.300 0.122 0.000 2.342 939 Y HA 0.752 5.302 4.550 0.000 0.000 0.334 939 Y C -0.177 175.803 175.900 0.133 0.000 1.067 939 Y CA -0.684 57.510 58.100 0.158 0.000 1.128 939 Y CB 1.927 40.495 38.460 0.180 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.695 126.091 121.223 0.290 0.000 2.516 940 L HA 0.525 4.865 4.340 0.000 0.000 0.267 940 L C -1.412 175.583 176.870 0.209 0.000 0.957 940 L CA -0.746 54.215 54.840 0.201 0.000 0.860 940 L CB 1.642 43.776 42.059 0.126 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.375 123.988 120.500 0.188 0.000 2.435 941 R HA 0.734 5.074 4.340 0.000 0.000 0.308 941 R C -1.499 174.902 176.300 0.167 0.000 0.975 941 R CA 0.004 56.213 56.100 0.183 0.000 0.867 941 R CB 1.266 31.672 30.300 0.178 0.000 1.171 941 R HN 0.826 nan 8.270 nan 0.000 0.470 942 T N 2.181 116.850 114.554 0.192 0.000 2.921 942 T HA 0.505 4.855 4.350 0.000 0.000 0.297 942 T C -2.801 172.053 174.700 0.258 0.000 1.013 942 T CA -1.985 60.220 62.100 0.174 0.000 0.990 942 T CB 2.452 71.387 68.868 0.111 0.000 1.023 942 T HN 0.236 nan 8.240 nan 0.000 0.447 943 P HA 0.463 nan 4.420 nan 0.000 0.296 943 P C -0.142 177.290 177.300 0.220 0.000 1.295 943 P CA -0.395 62.770 63.100 0.108 0.000 0.754 943 P CB -0.050 31.634 31.700 -0.027 0.000 1.311 944 F N -3.417 116.410 119.950 -0.206 0.000 3.043 944 F HA -0.226 4.301 4.527 0.000 0.000 0.290 944 F C 0.642 176.396 175.800 -0.077 0.000 0.844 944 F CA 0.736 58.632 58.000 -0.172 0.000 1.184 944 F CB -2.639 36.284 39.000 -0.129 0.000 1.246 944 F HN 0.166 nan 8.300 nan 0.000 0.536 945 S N 0.407 116.128 115.700 0.034 0.000 3.305 945 S HA 0.086 4.556 4.470 0.000 0.000 0.397 945 S C 1.370 176.017 174.600 0.079 0.000 1.171 945 S CA 0.376 58.606 58.200 0.051 0.000 0.935 945 S CB 0.690 63.891 63.200 0.001 0.000 0.642 945 S HN 1.031 nan 8.310 nan 0.000 0.479 946 A N 5.730 128.614 122.820 0.105 0.000 1.844 946 A HA 0.428 4.748 4.320 0.000 0.000 0.214 946 A C 1.294 178.917 177.584 0.066 0.000 1.217 946 A CA 1.342 53.442 52.037 0.104 0.000 0.644 946 A CB -1.306 17.772 19.000 0.130 0.000 0.850 946 A HN 1.826 nan 8.150 nan 0.000 0.456 947 G N -2.158 106.676 108.800 0.057 0.000 2.788 947 G HA2 0.515 4.475 3.960 0.000 0.000 0.293 947 G HA3 0.515 4.475 3.960 0.000 0.000 0.293 947 G C -1.059 173.861 174.900 0.033 0.000 1.392 947 G CA -0.099 45.022 45.100 0.034 0.000 0.810 947 G HN 0.804 nan 8.290 nan 0.000 0.508 948 N N -1.044 117.669 118.700 0.022 0.000 2.966 948 N HA 0.724 5.464 4.740 0.000 0.000 0.314 948 N C -0.296 175.227 175.510 0.021 0.000 1.397 948 N CA -0.410 52.653 53.050 0.021 0.000 0.776 948 N CB 1.946 40.439 38.487 0.011 0.000 1.576 948 N HN 0.804 nan 8.380 nan 0.000 0.592 949 A N 0.000 122.832 122.820 0.020 0.000 2.254 949 A HA 0.000 4.320 4.320 0.000 0.000 0.244 949 A CA 0.000 52.048 52.037 0.018 0.000 0.836 949 A CB 0.000 19.007 19.000 0.012 0.000 0.831 949 A HN 0.000 nan 8.150 nan 0.000 0.486