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 1y77_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIGRDGKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGIcGLM DATA SEQUENCE TVIAKLNHNQ FECKGcDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.285 176.300 -0.025 0.000 2.045 20 D CA 0.000 53.991 54.000 -0.016 0.000 0.868 20 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 21 E N 0.001 120.175 120.200 -0.043 0.000 2.431 21 E HA 0.032 4.383 4.350 0.001 0.000 0.208 21 E C -0.249 176.301 176.600 -0.084 0.000 1.299 21 E CA 0.269 56.625 56.400 -0.073 0.000 1.080 21 E CB -0.120 29.519 29.700 -0.102 0.000 1.114 21 E HN 0.091 nan 8.360 nan 0.000 0.489 22 S N -0.580 115.093 115.700 -0.045 0.000 2.586 22 S HA 0.375 4.845 4.470 0.001 0.000 0.218 22 S C -0.516 174.079 174.600 -0.009 0.000 0.761 22 S CA -0.157 58.026 58.200 -0.029 0.000 0.999 22 S CB 0.877 64.058 63.200 -0.031 0.000 1.634 22 S HN 0.521 nan 8.310 nan 0.000 0.482 23 A N 2.468 125.287 122.820 -0.003 0.000 2.452 23 A HA 1.002 5.323 4.320 0.001 0.000 0.285 23 A C -2.471 175.117 177.584 0.007 0.000 1.209 23 A CA -1.774 50.266 52.037 0.006 0.000 0.940 23 A CB 0.132 19.137 19.000 0.009 0.000 1.440 23 A HN 0.260 nan 8.150 nan 0.000 0.480 24 P HA 0.344 nan 4.420 nan 0.000 0.285 24 P C -0.919 176.384 177.300 0.005 0.000 1.282 24 P CA 0.240 63.345 63.100 0.008 0.000 0.778 24 P CB 0.355 32.069 31.700 0.024 0.000 1.222 25 I N -0.820 119.751 120.570 0.002 0.000 2.529 25 I HA 0.196 4.367 4.170 0.001 0.000 0.284 25 I C 0.788 176.926 176.117 0.034 0.000 1.088 25 I CA -0.662 60.645 61.300 0.013 0.000 1.062 25 I CB 1.782 39.765 38.000 -0.028 0.000 1.218 25 I HN 0.275 nan 8.210 nan 0.000 0.442 26 T N 1.848 116.434 114.554 0.053 0.000 2.788 26 T HA 0.534 4.885 4.350 0.001 0.000 0.280 26 T C 1.379 176.130 174.700 0.083 0.000 0.984 26 T CA 0.069 62.206 62.100 0.062 0.000 0.972 26 T CB 1.611 70.520 68.868 0.068 0.000 1.039 26 T HN 0.581 nan 8.240 nan 0.000 0.530 27 A N 0.629 123.502 122.820 0.089 0.000 1.848 27 A HA -0.181 4.140 4.320 0.001 0.000 0.217 27 A C 2.186 179.847 177.584 0.128 0.000 1.220 27 A CA 2.360 54.461 52.037 0.107 0.000 0.645 27 A CB -1.750 17.332 19.000 0.135 0.000 0.842 27 A HN 1.079 nan 8.150 nan 0.000 0.451 28 E N 0.162 120.475 120.200 0.188 0.000 2.324 28 E HA -0.260 4.090 4.350 0.001 0.000 0.205 28 E C 1.418 178.175 176.600 0.261 0.000 1.031 28 E CA 1.885 58.450 56.400 0.276 0.000 0.836 28 E CB -0.322 29.517 29.700 0.232 0.000 0.742 28 E HN 0.641 nan 8.360 nan 0.000 0.491 29 D N -0.773 119.736 120.400 0.181 0.000 2.084 29 D HA -0.144 4.497 4.640 0.001 0.000 0.196 29 D C 2.019 178.441 176.300 0.204 0.000 0.985 29 D CA 1.760 55.870 54.000 0.182 0.000 0.826 29 D CB -0.412 40.470 40.800 0.136 0.000 0.978 29 D HN 0.342 nan 8.370 nan 0.000 0.456 30 S N 0.665 116.451 115.700 0.144 0.000 2.390 30 S HA -0.284 4.186 4.470 0.001 0.000 0.234 30 S C 1.980 176.631 174.600 0.086 0.000 1.063 30 S CA 1.477 59.742 58.200 0.108 0.000 1.108 30 S CB -1.522 61.638 63.200 -0.067 0.000 0.975 30 S HN 0.461 nan 8.310 nan 0.000 0.442 31 W N 2.212 123.608 121.300 0.160 0.000 2.302 31 W HA -0.205 4.455 4.660 0.001 0.000 0.320 31 W C 3.124 179.770 176.519 0.212 0.000 1.241 31 W CA 1.044 58.478 57.345 0.149 0.000 1.264 31 W CB -0.820 28.721 29.460 0.136 0.000 1.154 31 W HN 0.481 nan 8.180 nan 0.000 0.483 32 A N 0.063 123.157 122.820 0.456 0.000 1.940 32 A HA -0.290 4.031 4.320 0.001 0.000 0.221 32 A C 1.927 179.724 177.584 0.356 0.000 1.190 32 A CA 2.759 55.015 52.037 0.364 0.000 0.647 32 A CB -1.310 17.863 19.000 0.288 0.000 0.821 32 A HN 0.159 nan 8.150 nan 0.000 0.457 33 V N 0.087 120.205 119.914 0.340 0.000 2.223 33 V HA -0.302 3.818 4.120 0.001 0.000 0.244 33 V C 2.422 178.725 176.094 0.348 0.000 1.045 33 V CA 2.118 64.636 62.300 0.363 0.000 1.000 33 V CB -0.772 31.298 31.823 0.413 0.000 0.635 33 V HN 0.607 nan 8.190 nan 0.000 0.445 34 I N 0.073 120.792 120.570 0.249 0.000 2.143 34 I HA -0.341 3.829 4.170 0.001 0.000 0.245 34 I C 2.658 178.917 176.117 0.236 0.000 1.068 34 I CA 1.921 63.297 61.300 0.126 0.000 1.326 34 I CB -0.547 37.547 38.000 0.156 0.000 1.028 34 I HN 0.297 nan 8.210 nan 0.000 0.412 35 S N 0.546 116.538 115.700 0.486 0.000 2.369 35 S HA -0.307 4.163 4.470 0.001 0.000 0.225 35 S C 2.232 177.104 174.600 0.454 0.000 1.043 35 S CA 1.750 60.357 58.200 0.680 0.000 1.074 35 S CB -0.535 62.979 63.200 0.522 0.000 0.962 35 S HN 0.610 nan 8.310 nan 0.000 0.433 36 A N 0.846 123.888 122.820 0.370 0.000 1.986 36 A HA -0.135 4.185 4.320 0.001 0.000 0.220 36 A C 1.863 179.627 177.584 0.300 0.000 1.171 36 A CA 1.630 53.875 52.037 0.346 0.000 0.640 36 A CB -0.845 18.387 19.000 0.385 0.000 0.811 36 A HN 0.485 nan 8.150 nan 0.000 0.451 37 F N 0.081 119.962 119.950 -0.115 0.000 2.026 37 F HA -0.172 4.356 4.527 0.001 0.000 0.296 37 F C 1.929 177.414 175.800 -0.524 0.000 1.133 37 F CA 1.481 59.025 58.000 -0.761 0.000 1.188 37 F CB -1.053 37.224 39.000 -1.205 0.000 0.968 37 F HN 0.260 nan 8.300 nan 0.000 0.476 38 F N 0.302 120.134 119.950 -0.197 0.000 2.365 38 F HA -0.096 4.431 4.527 0.001 0.000 0.300 38 F C 2.457 178.230 175.800 -0.047 0.000 1.090 38 F CA 0.808 58.680 58.000 -0.213 0.000 1.408 38 F CB -0.516 38.515 39.000 0.052 0.000 1.060 38 F HN -0.102 nan 8.300 nan 0.000 0.534 39 R N 0.366 120.986 120.500 0.200 0.000 2.094 39 R HA -0.236 4.105 4.340 0.001 0.000 0.239 39 R C 2.160 178.527 176.300 0.112 0.000 1.137 39 R CA 2.088 58.293 56.100 0.175 0.000 0.943 39 R CB -0.498 29.920 30.300 0.197 0.000 0.850 39 R HN 0.391 nan 8.270 nan 0.000 0.433 40 E N 0.281 120.531 120.200 0.083 0.000 2.140 40 E HA -0.079 4.271 4.350 0.001 0.000 0.191 40 E C 1.565 178.161 176.600 -0.007 0.000 0.973 40 E CA 0.389 56.834 56.400 0.076 0.000 0.829 40 E CB 0.350 30.148 29.700 0.163 0.000 0.781 40 E HN 0.081 nan 8.360 nan 0.000 0.466 41 K N 0.349 120.649 120.400 -0.168 0.000 1.965 41 K HA 0.067 4.387 4.320 0.001 0.000 0.214 41 K C 0.915 177.440 176.600 -0.125 0.000 1.042 41 K CA 1.239 57.364 56.287 -0.270 0.000 0.950 41 K CB -0.616 31.385 32.500 -0.832 0.000 0.733 41 K HN 0.275 nan 8.250 nan 0.000 0.441 42 G N 0.196 108.963 108.800 -0.055 0.000 2.712 42 G HA2 -0.169 3.792 3.960 0.001 0.000 0.686 42 G HA3 -0.169 3.792 3.960 0.001 0.000 0.686 42 G C 0.349 175.263 174.900 0.023 0.000 1.181 42 G CA -0.357 44.763 45.100 0.034 0.000 0.762 42 G HN 0.158 nan 8.290 nan 0.000 0.641 43 L N 0.554 121.782 121.223 0.010 0.000 2.456 43 L HA -0.002 4.339 4.340 0.001 0.000 0.224 43 L C 2.452 179.307 176.870 -0.025 0.000 1.148 43 L CA 1.406 56.230 54.840 -0.027 0.000 0.825 43 L CB -0.494 41.507 42.059 -0.096 0.000 0.937 43 L HN 0.730 nan 8.230 nan 0.000 0.450 44 V N -4.733 115.171 119.914 -0.017 0.000 3.542 44 V HA 0.106 4.226 4.120 0.001 0.000 0.296 44 V C 2.133 178.217 176.094 -0.016 0.000 1.364 44 V CA 0.311 62.603 62.300 -0.014 0.000 1.118 44 V CB -0.274 31.550 31.823 0.001 0.000 0.972 44 V HN 0.421 nan 8.190 nan 0.000 0.430 45 S N 3.041 118.721 115.700 -0.032 0.000 2.433 45 S HA -0.513 3.957 4.470 0.001 0.000 0.270 45 S C 1.938 176.532 174.600 -0.010 0.000 1.068 45 S CA 2.805 60.986 58.200 -0.032 0.000 1.375 45 S CB -1.391 61.763 63.200 -0.078 0.000 1.255 45 S HN 0.878 nan 8.310 nan 0.000 0.442 46 Q N 0.794 120.577 119.800 -0.028 0.000 2.078 46 Q HA -0.384 3.956 4.340 0.001 0.000 0.222 46 Q C 2.181 178.195 176.000 0.025 0.000 1.073 46 Q CA 2.034 57.827 55.803 -0.015 0.000 0.926 46 Q CB -1.101 27.615 28.738 -0.035 0.000 1.054 46 Q HN 0.642 nan 8.270 nan 0.000 0.450 47 Q N 0.602 120.416 119.800 0.023 0.000 2.156 47 Q HA -0.163 4.178 4.340 0.001 0.000 0.211 47 Q C 2.292 178.336 176.000 0.074 0.000 0.995 47 Q CA 1.878 57.710 55.803 0.048 0.000 0.877 47 Q CB -0.382 28.371 28.738 0.026 0.000 0.920 47 Q HN 0.542 nan 8.270 nan 0.000 0.416 48 L N 0.522 121.775 121.223 0.050 0.000 1.947 48 L HA -0.182 4.158 4.340 0.001 0.000 0.211 48 L C 2.058 178.996 176.870 0.114 0.000 1.098 48 L CA 1.079 55.961 54.840 0.070 0.000 0.767 48 L CB -0.883 41.197 42.059 0.035 0.000 0.891 48 L HN 0.107 nan 8.230 nan 0.000 0.436 49 D N -0.094 120.351 120.400 0.075 0.000 2.242 49 D HA -0.287 4.354 4.640 0.001 0.000 0.190 49 D C 2.232 178.581 176.300 0.083 0.000 1.012 49 D CA 2.095 56.135 54.000 0.068 0.000 0.875 49 D CB -0.340 40.497 40.800 0.063 0.000 0.922 49 D HN 0.257 nan 8.370 nan 0.000 0.448 50 S N -1.061 114.707 115.700 0.113 0.000 2.402 50 S HA -0.151 4.320 4.470 0.001 0.000 0.229 50 S C 1.715 176.447 174.600 0.221 0.000 1.021 50 S CA 0.532 58.816 58.200 0.140 0.000 0.974 50 S CB -0.304 62.977 63.200 0.135 0.000 0.800 50 S HN 0.229 nan 8.310 nan 0.000 0.484 51 F N 3.091 123.097 119.950 0.094 0.000 2.128 51 F HA 0.036 4.563 4.527 0.001 0.000 0.295 51 F C 2.064 177.950 175.800 0.144 0.000 1.100 51 F CA 1.494 59.581 58.000 0.144 0.000 1.260 51 F CB -0.838 38.208 39.000 0.076 0.000 1.009 51 F HN 0.210 nan 8.300 nan 0.000 0.476 52 N N 0.576 119.304 118.700 0.047 0.000 2.021 52 N HA -0.294 4.446 4.740 0.001 0.000 0.198 52 N C 1.861 177.270 175.510 -0.168 0.000 1.041 52 N CA 1.859 54.851 53.050 -0.096 0.000 0.862 52 N CB -1.027 37.440 38.487 -0.034 0.000 1.048 52 N HN 0.347 nan 8.380 nan 0.000 0.427 53 Q N 0.081 119.805 119.800 -0.126 0.000 2.297 53 Q HA -0.084 4.256 4.340 0.001 0.000 0.208 53 Q C 1.640 177.578 176.000 -0.103 0.000 0.981 53 Q CA 1.018 56.697 55.803 -0.206 0.000 0.876 53 Q CB -0.387 28.274 28.738 -0.128 0.000 0.921 53 Q HN 0.456 nan 8.270 nan 0.000 0.446 54 F N -1.562 118.286 119.950 -0.170 0.000 2.270 54 F HA 0.038 4.565 4.527 0.001 0.000 0.295 54 F C 1.454 177.138 175.800 -0.192 0.000 1.087 54 F CA 0.652 58.573 58.000 -0.132 0.000 1.365 54 F CB -0.102 38.836 39.000 -0.103 0.000 1.056 54 F HN -0.055 nan 8.300 nan 0.000 0.506 55 V N 0.838 120.488 119.914 -0.440 0.000 2.231 55 V HA -0.227 3.893 4.120 0.001 0.000 0.240 55 V C 2.167 178.076 176.094 -0.309 0.000 1.039 55 V CA 2.123 64.135 62.300 -0.480 0.000 0.998 55 V CB -0.704 30.851 31.823 -0.446 0.000 0.639 55 V HN 0.222 nan 8.190 nan 0.000 0.451 56 D N -0.749 119.542 120.400 -0.182 0.000 2.156 56 D HA -0.208 4.433 4.640 0.001 0.000 0.190 56 D C 2.029 178.440 176.300 0.186 0.000 0.998 56 D CA 2.251 56.260 54.000 0.016 0.000 0.842 56 D CB -0.272 40.572 40.800 0.073 0.000 0.974 56 D HN 0.443 nan 8.370 nan 0.000 0.447 57 Y N 0.862 121.069 120.300 -0.155 0.000 2.226 57 Y HA 0.018 4.568 4.550 0.001 0.000 0.275 57 Y C 2.864 178.659 175.900 -0.175 0.000 1.087 57 Y CA 0.521 58.542 58.100 -0.131 0.000 1.086 57 Y CB -1.352 37.064 38.460 -0.074 0.000 1.026 57 Y HN -0.086 nan 8.280 nan 0.000 0.484 58 T N 1.735 116.303 114.554 0.023 0.000 2.736 58 T HA -0.274 4.076 4.350 0.001 0.000 0.265 58 T C 1.995 176.545 174.700 -0.250 0.000 1.031 58 T CA 1.985 64.035 62.100 -0.083 0.000 1.155 58 T CB -0.776 68.076 68.868 -0.025 0.000 0.849 58 T HN 0.122 nan 8.240 nan 0.000 0.471 59 L N 0.542 121.483 121.223 -0.470 0.000 2.046 59 L HA -0.046 4.294 4.340 0.001 0.000 0.208 59 L C 2.551 179.301 176.870 -0.201 0.000 1.077 59 L CA 1.780 56.359 54.840 -0.435 0.000 0.747 59 L CB -0.712 41.048 42.059 -0.497 0.000 0.896 59 L HN 0.173 nan 8.230 nan 0.000 0.432 60 Q N -0.108 119.593 119.800 -0.165 0.000 1.967 60 Q HA -0.226 4.114 4.340 0.001 0.000 0.202 60 Q C 1.763 177.697 176.000 -0.111 0.000 0.985 60 Q CA 2.277 58.004 55.803 -0.126 0.000 0.839 60 Q CB -0.400 28.273 28.738 -0.110 0.000 0.906 60 Q HN 0.498 nan 8.270 nan 0.000 0.423 61 D N -0.389 119.961 120.400 -0.084 0.000 2.280 61 D HA -0.180 4.460 4.640 0.001 0.000 0.206 61 D C 1.453 177.714 176.300 -0.065 0.000 0.988 61 D CA 1.246 55.211 54.000 -0.058 0.000 0.886 61 D CB -0.046 40.737 40.800 -0.027 0.000 0.914 61 D HN 0.391 nan 8.370 nan 0.000 0.473 62 I N -0.559 119.948 120.570 -0.105 0.000 2.339 62 I HA -0.106 4.065 4.170 0.001 0.000 0.245 62 I C 1.976 178.015 176.117 -0.131 0.000 1.096 62 I CA 0.176 61.400 61.300 -0.125 0.000 1.408 62 I CB -0.000 37.882 38.000 -0.196 0.000 1.092 62 I HN -0.050 nan 8.210 nan 0.000 0.423 63 I N 0.573 120.994 120.570 -0.247 0.000 2.530 63 I HA -0.222 3.949 4.170 0.001 0.000 0.257 63 I C 0.751 176.871 176.117 0.005 0.000 1.179 63 I CA 1.057 62.207 61.300 -0.250 0.000 1.440 63 I CB -0.209 37.572 38.000 -0.366 0.000 1.087 63 I HN 0.239 nan 8.210 nan 0.000 0.440 64 C N 1.851 121.140 119.300 -0.019 0.000 2.250 64 C HA 0.427 4.887 4.460 0.001 0.000 0.319 64 C C 0.950 175.935 174.990 -0.009 0.000 1.124 64 C CA -0.145 58.880 59.018 0.012 0.000 1.527 64 C CB -1.260 26.483 27.740 0.005 0.000 2.001 64 C HN 0.656 nan 8.230 nan 0.000 0.435 65 E N 1.395 121.587 120.200 -0.013 0.000 3.301 65 E HA 0.021 4.371 4.350 0.001 0.000 0.279 65 E C 0.011 176.580 176.600 -0.051 0.000 1.174 65 E CA -0.115 56.260 56.400 -0.041 0.000 1.918 65 E CB -0.318 29.345 29.700 -0.062 0.000 2.084 65 E HN 0.387 nan 8.360 nan 0.000 0.951 66 D N 2.208 122.555 120.400 -0.089 0.000 2.463 66 D HA 0.088 4.728 4.640 0.001 0.000 0.224 66 D C 1.188 177.417 176.300 -0.118 0.000 1.174 66 D CA 0.616 54.554 54.000 -0.103 0.000 0.829 66 D CB 0.709 41.424 40.800 -0.141 0.000 0.993 66 D HN 0.232 nan 8.370 nan 0.000 0.497 67 S N 1.046 116.700 115.700 -0.076 0.000 2.426 67 S HA -0.171 4.299 4.470 0.001 0.000 0.220 67 S C 1.165 175.860 174.600 0.158 0.000 1.040 67 S CA 0.837 59.013 58.200 -0.039 0.000 1.094 67 S CB -1.685 61.573 63.200 0.096 0.000 1.072 67 S HN 0.298 nan 8.310 nan 0.000 0.415 68 T N 3.255 117.947 114.554 0.230 0.000 2.902 68 T HA 0.226 4.576 4.350 0.001 0.000 0.317 68 T C 0.059 174.854 174.700 0.158 0.000 1.064 68 T CA 0.595 62.822 62.100 0.211 0.000 1.130 68 T CB -0.229 68.711 68.868 0.120 0.000 1.073 68 T HN 0.321 nan 8.240 nan 0.000 0.524 69 L N 1.277 122.604 121.223 0.173 0.000 2.171 69 L HA 0.681 5.022 4.340 0.001 0.000 0.253 69 L C 0.090 177.076 176.870 0.193 0.000 1.054 69 L CA -1.290 53.677 54.840 0.211 0.000 0.927 69 L CB 1.353 43.605 42.059 0.322 0.000 1.513 69 L HN 0.523 nan 8.230 nan 0.000 0.471 91 S N 3.361 118.917 115.700 -0.241 0.000 2.709 91 S HA 0.894 5.365 4.470 0.001 0.000 0.302 91 S C -1.218 173.134 174.600 -0.414 0.000 1.127 91 S CA -0.792 57.316 58.200 -0.154 0.000 0.905 91 S CB 2.361 65.545 63.200 -0.025 0.000 1.151 91 S HN 0.353 nan 8.310 nan 0.000 0.510 92 F N -0.153 119.836 119.950 0.064 0.000 2.547 92 F HA 0.746 5.273 4.527 0.001 0.000 0.316 92 F C 0.819 176.645 175.800 0.042 0.000 1.121 92 F CA -0.452 57.590 58.000 0.069 0.000 0.911 92 F CB 2.157 41.222 39.000 0.108 0.000 1.179 92 F HN 0.995 nan 8.300 nan 0.000 0.443 93 G N 1.466 110.383 108.800 0.194 0.000 3.019 93 G HA2 0.314 4.274 3.960 0.001 0.000 0.152 93 G HA3 0.314 4.274 3.960 0.001 0.000 0.152 93 G C -0.592 174.363 174.900 0.092 0.000 1.320 93 G CA -0.799 44.369 45.100 0.113 0.000 1.013 93 G HN 0.538 nan 8.290 nan 0.000 0.593 94 K N -0.685 119.741 120.400 0.045 0.000 2.457 94 K HA 0.155 4.476 4.320 0.001 0.000 0.269 94 K C -0.776 175.830 176.600 0.010 0.000 0.969 94 K CA 0.229 56.494 56.287 -0.037 0.000 0.921 94 K CB 0.220 32.641 32.500 -0.132 0.000 0.940 94 K HN 0.317 nan 8.250 nan 0.000 0.517 95 I N 2.168 122.679 120.570 -0.098 0.000 2.533 95 I HA 0.249 4.420 4.170 0.001 0.000 0.290 95 I C -1.615 174.452 176.117 -0.084 0.000 1.056 95 I CA -0.956 60.355 61.300 0.017 0.000 1.057 95 I CB 1.027 39.020 38.000 -0.012 0.000 1.240 95 I HN 0.527 nan 8.210 nan 0.000 0.423 96 Y N 5.805 126.151 120.300 0.077 0.000 2.360 96 Y HA 0.513 5.063 4.550 0.001 0.000 0.337 96 Y C -0.148 175.742 175.900 -0.017 0.000 1.039 96 Y CA -0.818 57.316 58.100 0.058 0.000 1.109 96 Y CB 1.853 40.401 38.460 0.147 0.000 1.201 96 Y HN 0.158 nan 8.280 nan 0.000 0.458 97 V N 3.455 123.407 119.914 0.064 0.000 2.293 97 V HA 0.249 4.369 4.120 0.001 0.000 0.275 97 V C -0.082 175.980 176.094 -0.053 0.000 1.021 97 V CA -0.906 61.370 62.300 -0.038 0.000 0.815 97 V CB 0.823 32.596 31.823 -0.083 0.000 1.025 97 V HN 0.894 nan 8.190 nan 0.000 0.448 98 T N 2.449 116.940 114.554 -0.106 0.000 2.856 98 T HA 0.438 4.788 4.350 0.001 0.000 0.292 98 T C 0.014 174.630 174.700 -0.140 0.000 0.980 98 T CA -0.765 61.265 62.100 -0.116 0.000 1.091 98 T CB 0.808 69.572 68.868 -0.173 0.000 0.936 98 T HN 0.517 nan 8.240 nan 0.000 0.503 99 K N 3.251 123.554 120.400 -0.161 0.000 2.380 99 K HA 0.173 4.493 4.320 0.001 0.000 0.267 99 K C -2.327 174.198 176.600 -0.125 0.000 0.990 99 K CA -1.287 54.856 56.287 -0.239 0.000 0.946 99 K CB -0.226 31.997 32.500 -0.462 0.000 0.937 99 K HN 0.445 nan 8.250 nan 0.000 0.491 100 P HA -0.179 nan 4.420 nan 0.000 0.265 100 P C -0.633 176.682 177.300 0.024 0.000 1.151 100 P CA 1.271 64.325 63.100 -0.077 0.000 0.755 100 P CB 0.406 32.018 31.700 -0.147 0.000 0.756 101 M N 1.058 120.655 119.600 -0.006 0.000 2.755 101 M HA 0.501 4.981 4.480 0.001 0.000 0.273 101 M C -1.316 175.005 176.300 0.036 0.000 1.278 101 M CA -1.014 54.297 55.300 0.017 0.000 0.819 101 M CB 2.430 35.027 32.600 -0.005 0.000 1.694 101 M HN -0.171 nan 8.290 nan 0.000 0.460 102 V N 1.538 121.485 119.914 0.055 0.000 2.532 102 V HA 0.284 4.405 4.120 0.001 0.000 0.294 102 V C -1.253 174.871 176.094 0.049 0.000 1.036 102 V CA -0.720 61.619 62.300 0.065 0.000 0.876 102 V CB 1.690 33.577 31.823 0.106 0.000 1.012 102 V HN 0.856 nan 8.190 nan 0.000 0.432 103 N N 4.242 122.955 118.700 0.023 0.000 2.500 103 N HA 0.398 5.139 4.740 0.001 0.000 0.236 103 N C -0.240 175.277 175.510 0.011 0.000 1.022 103 N CA -0.370 52.682 53.050 0.004 0.000 0.935 103 N CB 0.746 39.214 38.487 -0.031 0.000 1.147 103 N HN 0.850 nan 8.380 nan 0.000 0.512 104 E N 1.015 121.225 120.200 0.015 0.000 2.299 104 E HA 0.479 4.830 4.350 0.001 0.000 0.265 104 E C -0.720 175.885 176.600 0.009 0.000 0.911 104 E CA -1.142 55.265 56.400 0.011 0.000 0.789 104 E CB 1.032 30.739 29.700 0.012 0.000 1.246 104 E HN 0.464 nan 8.360 nan 0.000 0.427 105 S N 0.761 116.465 115.700 0.008 0.000 2.603 105 S HA 0.111 4.582 4.470 0.001 0.000 0.268 105 S C 0.274 174.879 174.600 0.009 0.000 1.317 105 S CA -0.459 57.746 58.200 0.008 0.000 1.012 105 S CB 0.378 63.584 63.200 0.009 0.000 0.926 105 S HN 0.742 nan 8.310 nan 0.000 0.539 106 D N 0.101 120.506 120.400 0.010 0.000 2.772 106 D HA -0.102 4.538 4.640 0.001 0.000 0.233 106 D C 0.256 176.562 176.300 0.010 0.000 1.143 106 D CA 1.748 55.754 54.000 0.010 0.000 0.700 106 D CB -1.379 39.428 40.800 0.011 0.000 1.076 106 D HN 1.077 nan 8.370 nan 0.000 0.430 107 G N -2.769 106.037 108.800 0.011 0.000 2.430 107 G HA2 0.461 4.421 3.960 0.001 0.000 0.300 107 G HA3 0.461 4.421 3.960 0.001 0.000 0.300 107 G C 0.258 175.169 174.900 0.019 0.000 1.330 107 G CA -0.113 44.995 45.100 0.014 0.000 0.813 107 G HN 0.084 nan 8.290 nan 0.000 0.487 108 V N -0.586 119.346 119.914 0.030 0.000 5.415 108 V HA 0.582 4.703 4.120 0.001 0.000 0.236 108 V C 0.879 176.999 176.094 0.043 0.000 1.312 108 V CA 0.517 62.839 62.300 0.037 0.000 0.815 108 V CB 0.322 32.176 31.823 0.053 0.000 1.250 108 V HN 0.806 nan 8.190 nan 0.000 0.345 109 T N -0.153 114.438 114.554 0.062 0.000 3.160 109 T HA 0.302 4.653 4.350 0.001 0.000 0.344 109 T C -0.818 173.946 174.700 0.107 0.000 0.981 109 T CA -0.302 61.837 62.100 0.065 0.000 1.170 109 T CB 0.006 68.890 68.868 0.027 0.000 1.016 109 T HN 0.665 nan 8.240 nan 0.000 0.492 110 H N 2.366 121.455 119.070 0.031 0.000 2.771 110 H HA 0.548 5.104 4.556 0.001 0.000 0.364 110 H C 0.412 175.782 175.328 0.071 0.000 1.133 110 H CA 0.086 56.162 56.048 0.048 0.000 1.423 110 H CB 0.656 30.444 29.762 0.042 0.000 1.425 110 H HN 0.709 nan 8.280 nan 0.000 0.606 111 A N 5.600 128.097 122.820 -0.537 0.000 2.376 111 A HA 0.307 4.627 4.320 0.001 0.000 0.298 111 A C -0.507 176.911 177.584 -0.276 0.000 1.271 111 A CA -0.528 51.346 52.037 -0.271 0.000 0.926 111 A CB -0.645 18.273 19.000 -0.136 0.000 1.141 111 A HN 0.616 nan 8.150 nan 0.000 0.539 112 L N 3.256 124.448 121.223 -0.052 0.000 2.417 112 L HA 0.573 4.913 4.340 0.001 0.000 0.268 112 L C -0.860 175.969 176.870 -0.068 0.000 1.158 112 L CA 0.278 55.161 54.840 0.071 0.000 0.819 112 L CB 0.263 42.395 42.059 0.120 0.000 1.112 112 L HN 0.605 nan 8.230 nan 0.000 0.458 113 Y N 4.209 124.458 120.300 -0.085 0.000 2.605 113 Y HA 0.483 5.033 4.550 0.001 0.000 0.343 113 Y C -1.794 174.050 175.900 -0.094 0.000 1.036 113 Y CA -1.659 56.358 58.100 -0.140 0.000 1.065 113 Y CB 1.251 39.587 38.460 -0.207 0.000 1.288 113 Y HN 0.517 nan 8.280 nan 0.000 0.481 114 P HA -0.255 nan 4.420 nan 0.000 0.199 114 P C 1.109 178.328 177.300 -0.135 0.000 1.118 114 P CA 1.794 64.614 63.100 -0.468 0.000 0.913 114 P CB 0.267 31.651 31.700 -0.528 0.000 0.738 115 Q N 0.320 120.081 119.800 -0.065 0.000 2.388 115 Q HA -0.248 4.092 4.340 0.001 0.000 0.216 115 Q C 2.134 178.148 176.000 0.023 0.000 0.997 115 Q CA 2.244 58.044 55.803 -0.006 0.000 0.923 115 Q CB -0.948 27.789 28.738 -0.001 0.000 0.922 115 Q HN 0.472 nan 8.270 nan 0.000 0.435 116 E N -1.965 118.260 120.200 0.042 0.000 2.170 116 E HA -0.014 4.337 4.350 0.001 0.000 0.191 116 E C 1.664 178.306 176.600 0.071 0.000 0.981 116 E CA 0.605 57.043 56.400 0.063 0.000 0.830 116 E CB -0.127 29.626 29.700 0.090 0.000 0.775 116 E HN 0.461 nan 8.360 nan 0.000 0.470 117 A N 1.411 124.272 122.820 0.070 0.000 1.969 117 A HA -0.129 4.192 4.320 0.001 0.000 0.218 117 A C 2.080 179.704 177.584 0.066 0.000 1.169 117 A CA 0.910 52.993 52.037 0.076 0.000 0.635 117 A CB -0.333 18.730 19.000 0.106 0.000 0.810 117 A HN 0.132 nan 8.150 nan 0.000 0.445 118 R N -0.461 120.073 120.500 0.058 0.000 2.096 118 R HA -0.049 4.292 4.340 0.001 0.000 0.235 118 R C 1.946 178.309 176.300 0.106 0.000 1.127 118 R CA 1.443 57.588 56.100 0.074 0.000 0.968 118 R CB -0.494 29.844 30.300 0.063 0.000 0.861 118 R HN 0.516 nan 8.270 nan 0.000 0.440 119 L N -0.005 121.283 121.223 0.110 0.000 2.095 119 L HA -0.058 4.283 4.340 0.001 0.000 0.204 119 L C 1.995 179.015 176.870 0.251 0.000 1.080 119 L CA 1.131 56.064 54.840 0.155 0.000 0.759 119 L CB -0.270 41.861 42.059 0.120 0.000 0.914 119 L HN 0.084 nan 8.230 nan 0.000 0.439 120 R N 0.475 121.068 120.500 0.156 0.000 2.335 120 R HA 0.077 4.417 4.340 0.001 0.000 0.223 120 R C -0.212 175.994 176.300 -0.158 0.000 0.940 120 R CA -0.071 56.064 56.100 0.058 0.000 1.086 120 R CB -0.415 29.887 30.300 0.004 0.000 1.073 120 R HN 0.401 nan 8.270 nan 0.000 0.504 121 N N 1.220 119.925 118.700 0.007 0.000 2.688 121 N HA -0.203 4.537 4.740 0.001 0.000 0.258 121 N C -0.424 175.036 175.510 -0.084 0.000 1.016 121 N CA -0.152 52.880 53.050 -0.031 0.000 0.747 121 N CB -0.613 37.836 38.487 -0.063 0.000 0.895 121 N HN 0.224 nan 8.380 nan 0.000 0.543 122 L N -0.717 120.497 121.223 -0.015 0.000 2.884 122 L HA 0.536 4.876 4.340 0.001 0.000 0.199 122 L C 0.779 177.681 176.870 0.053 0.000 1.828 122 L CA -0.414 54.430 54.840 0.006 0.000 2.124 122 L CB 0.661 42.744 42.059 0.040 0.000 2.736 122 L HN -0.008 nan 8.230 nan 0.000 0.592 123 T N -0.671 113.935 114.554 0.086 0.000 3.176 123 T HA 0.139 4.489 4.350 0.001 0.000 0.337 123 T C -0.976 173.819 174.700 0.159 0.000 0.957 123 T CA -0.333 61.836 62.100 0.115 0.000 1.092 123 T CB 0.126 69.041 68.868 0.080 0.000 1.018 123 T HN 0.247 nan 8.240 nan 0.000 0.473 124 Y N 4.614 124.940 120.300 0.042 0.000 2.790 124 Y HA 0.247 4.797 4.550 0.001 0.000 0.348 124 Y C 1.069 176.989 175.900 0.034 0.000 1.183 124 Y CA -0.350 57.764 58.100 0.024 0.000 2.002 124 Y CB -0.863 37.591 38.460 -0.010 0.000 2.086 124 Y HN 0.649 nan 8.280 nan 0.000 0.412 125 S N 0.461 116.135 115.700 -0.043 0.000 2.496 125 S HA 0.895 5.365 4.470 0.001 0.000 0.260 125 S C -0.028 174.490 174.600 -0.138 0.000 1.122 125 S CA -0.079 58.084 58.200 -0.062 0.000 1.019 125 S CB 1.021 64.231 63.200 0.018 0.000 1.226 125 S HN 0.555 nan 8.310 nan 0.000 0.502 126 S N -1.712 113.942 115.700 -0.075 0.000 2.611 126 S HA 0.614 5.085 4.470 0.001 0.000 0.270 126 S C -0.350 174.202 174.600 -0.079 0.000 1.131 126 S CA -0.721 57.422 58.200 -0.096 0.000 0.826 126 S CB 0.378 63.500 63.200 -0.131 0.000 1.095 126 S HN 1.378 nan 8.310 nan 0.000 0.461 127 G N -0.034 108.687 108.800 -0.131 0.000 2.432 127 G HA2 0.549 4.510 3.960 0.001 0.000 0.257 127 G HA3 0.549 4.510 3.960 0.001 0.000 0.257 127 G C -1.260 173.466 174.900 -0.290 0.000 1.238 127 G CA -0.433 44.553 45.100 -0.191 0.000 0.838 127 G HN 0.566 nan 8.290 nan 0.000 0.547 128 L N 2.478 123.566 121.223 -0.225 0.000 2.318 128 L HA 0.464 4.805 4.340 0.001 0.000 0.277 128 L C -0.605 176.321 176.870 0.094 0.000 1.008 128 L CA -0.539 54.222 54.840 -0.131 0.000 0.846 128 L CB 0.479 42.450 42.059 -0.147 0.000 1.220 128 L HN 0.448 nan 8.230 nan 0.000 0.423 129 F N 3.379 123.407 119.950 0.129 0.000 2.458 129 F HA 0.696 5.223 4.527 0.001 0.000 0.336 129 F C -0.038 175.886 175.800 0.207 0.000 1.114 129 F CA -1.211 56.885 58.000 0.159 0.000 0.987 129 F CB 1.991 41.067 39.000 0.127 0.000 1.130 129 F HN -0.002 nan 8.300 nan 0.000 0.458 130 V N 2.232 122.365 119.914 0.365 0.000 2.709 130 V HA 0.164 4.284 4.120 0.001 0.000 0.308 130 V C -0.631 175.611 176.094 0.246 0.000 1.062 130 V CA -1.096 61.383 62.300 0.298 0.000 0.901 130 V CB 2.129 34.095 31.823 0.238 0.000 1.003 130 V HN 0.577 nan 8.190 nan 0.000 0.425 131 D N 3.456 123.999 120.400 0.239 0.000 2.398 131 D HA 0.167 4.807 4.640 0.001 0.000 0.250 131 D C 0.042 176.386 176.300 0.073 0.000 1.287 131 D CA 0.337 54.423 54.000 0.143 0.000 0.992 131 D CB 1.289 42.185 40.800 0.161 0.000 1.071 131 D HN 0.238 nan 8.370 nan 0.000 0.514 132 V N 3.090 123.008 119.914 0.007 0.000 2.775 132 V HA 0.154 4.274 4.120 0.001 0.000 0.299 132 V C 0.681 176.693 176.094 -0.136 0.000 1.062 132 V CA -0.241 61.969 62.300 -0.151 0.000 1.063 132 V CB 1.186 32.914 31.823 -0.158 0.000 0.994 132 V HN 0.253 nan 8.190 nan 0.000 0.483 133 K N 4.132 124.412 120.400 -0.199 0.000 2.426 133 K HA 0.491 4.811 4.320 0.001 0.000 0.254 133 K C -0.562 175.968 176.600 -0.118 0.000 0.936 133 K CA -0.834 55.381 56.287 -0.120 0.000 0.801 133 K CB 2.128 34.577 32.500 -0.085 0.000 1.139 133 K HN 0.745 nan 8.250 nan 0.000 0.424 165 V N 2.521 122.306 119.914 -0.215 0.000 2.769 165 V HA 0.465 4.585 4.120 0.001 0.000 0.312 165 V C -0.690 175.470 176.094 0.110 0.000 1.061 165 V CA -0.839 61.405 62.300 -0.094 0.000 0.931 165 V CB 1.500 33.348 31.823 0.042 0.000 1.010 165 V HN 0.217 nan 8.190 nan 0.000 0.433 166 F N 5.104 125.092 119.950 0.064 0.000 2.427 166 F HA 0.624 5.151 4.527 0.001 0.000 0.352 166 F C 0.112 176.071 175.800 0.265 0.000 1.100 166 F CA -0.900 57.341 58.000 0.401 0.000 1.191 166 F CB 0.575 39.782 39.000 0.345 0.000 1.128 166 F HN 0.327 nan 8.300 nan 0.000 0.533 167 I N 6.635 126.978 120.570 -0.379 0.000 2.867 167 I HA 0.359 4.529 4.170 0.001 0.000 0.282 167 I C 0.305 176.084 176.117 -0.564 0.000 1.437 167 I CA -0.376 60.707 61.300 -0.362 0.000 0.918 167 I CB 0.400 38.369 38.000 -0.051 0.000 1.612 167 I HN 0.912 nan 8.210 nan 0.000 0.592 168 G N 3.348 111.543 108.800 -1.008 0.000 2.804 168 G HA2 -0.215 3.745 3.960 0.001 0.000 0.230 168 G HA3 -0.215 3.745 3.960 0.001 0.000 0.230 168 G C -0.499 174.176 174.900 -0.376 0.000 1.386 168 G CA -0.584 44.168 45.100 -0.579 0.000 0.875 168 G HN 0.547 nan 8.290 nan 0.000 0.557 169 R N -1.318 119.100 120.500 -0.136 0.000 2.686 169 R HA 0.596 4.936 4.340 0.001 0.000 0.286 169 R C -0.679 175.568 176.300 -0.087 0.000 0.969 169 R CA -0.931 55.137 56.100 -0.055 0.000 0.898 169 R CB 1.927 32.256 30.300 0.048 0.000 1.183 169 R HN 0.609 nan 8.270 nan 0.000 0.456 170 L N 4.890 126.063 121.223 -0.082 0.000 2.272 170 L HA 0.420 4.761 4.340 0.001 0.000 0.284 170 L C -2.317 174.598 176.870 0.075 0.000 1.045 170 L CA -2.040 52.776 54.840 -0.040 0.000 0.842 170 L CB 0.958 42.986 42.059 -0.051 0.000 1.224 170 L HN 0.440 nan 8.230 nan 0.000 0.430 171 P HA -0.025 nan 4.420 nan 0.000 0.257 171 P C -0.116 177.366 177.300 0.303 0.000 1.189 171 P CA 0.643 63.862 63.100 0.199 0.000 0.780 171 P CB 0.187 32.018 31.700 0.219 0.000 0.772 172 I N 3.749 124.358 120.570 0.066 0.000 2.662 172 I HA 0.243 4.413 4.170 0.001 0.000 0.291 172 I C 1.258 176.963 176.117 -0.686 0.000 1.046 172 I CA -0.697 60.532 61.300 -0.120 0.000 1.361 172 I CB 0.792 38.682 38.000 -0.183 0.000 1.429 172 I HN 0.262 nan 8.210 nan 0.000 0.558 173 M N 4.883 123.655 119.600 -1.379 0.000 2.264 173 M HA 0.333 4.813 4.480 0.001 0.000 0.352 173 M C -1.029 174.855 176.300 -0.694 0.000 1.173 173 M CA -0.852 53.442 55.300 -1.677 0.000 1.075 173 M CB 1.186 32.531 32.600 -2.091 0.000 1.621 173 M HN 0.295 nan 8.290 nan 0.000 0.457 174 L N 4.631 125.466 121.223 -0.646 0.000 2.485 174 L HA 0.137 4.477 4.340 0.001 0.000 0.275 174 L C 1.012 177.689 176.870 -0.321 0.000 1.207 174 L CA 0.984 55.545 54.840 -0.466 0.000 0.855 174 L CB 0.211 41.768 42.059 -0.835 0.000 1.114 174 L HN 0.936 nan 8.230 nan 0.000 0.485 175 R N -0.209 120.198 120.500 -0.156 0.000 3.989 175 R HA -0.179 4.161 4.340 0.001 0.000 0.377 175 R C 0.136 176.412 176.300 -0.039 0.000 1.158 175 R CA 1.038 57.093 56.100 -0.075 0.000 1.035 175 R CB -1.840 28.414 30.300 -0.076 0.000 1.557 175 R HN 0.886 nan 8.270 nan 0.000 0.551 176 S N -1.256 114.422 115.700 -0.035 0.000 2.686 176 S HA 0.331 4.801 4.470 0.001 0.000 0.270 176 S C 1.192 175.821 174.600 0.048 0.000 1.194 176 S CA -0.372 57.860 58.200 0.053 0.000 0.990 176 S CB 1.289 64.607 63.200 0.197 0.000 1.029 176 S HN 0.258 nan 8.310 nan 0.000 0.560 177 K N 0.558 120.990 120.400 0.054 0.000 2.113 177 K HA -0.153 4.167 4.320 0.001 0.000 0.208 177 K C 1.387 177.964 176.600 -0.039 0.000 1.047 177 K CA 1.965 58.252 56.287 0.001 0.000 0.928 177 K CB -0.512 31.979 32.500 -0.016 0.000 0.716 177 K HN 0.547 nan 8.250 nan 0.000 0.446 178 N N -0.195 118.489 118.700 -0.026 0.000 2.467 178 N HA -0.034 4.707 4.740 0.001 0.000 0.184 178 N C 0.067 175.483 175.510 -0.155 0.000 1.106 178 N CA 0.202 53.186 53.050 -0.109 0.000 0.892 178 N CB 0.114 38.555 38.487 -0.077 0.000 0.969 178 N HN 0.152 nan 8.380 nan 0.000 0.454 179 C N 0.697 119.978 119.300 -0.032 0.000 2.514 179 C HA 0.153 4.613 4.460 0.001 0.000 0.392 179 C C 1.517 176.543 174.990 0.060 0.000 1.294 179 C CA -0.723 58.362 59.018 0.113 0.000 1.957 179 C CB -0.961 26.870 27.740 0.152 0.000 2.541 179 C HN 0.471 nan 8.230 nan 0.000 0.569 180 Y N 3.496 123.761 120.300 -0.058 0.000 2.256 180 Y HA -0.109 4.441 4.550 0.001 0.000 0.288 180 Y C 2.061 177.947 175.900 -0.022 0.000 1.155 180 Y CA 1.495 59.534 58.100 -0.102 0.000 1.203 180 Y CB -0.690 37.582 38.460 -0.312 0.000 0.980 180 Y HN 0.658 nan 8.280 nan 0.000 0.530 181 L N -0.371 120.950 121.223 0.164 0.000 2.131 181 L HA -0.229 4.112 4.340 0.001 0.000 0.210 181 L C 2.571 179.479 176.870 0.062 0.000 1.092 181 L CA 1.442 56.340 54.840 0.098 0.000 0.759 181 L CB -0.893 41.196 42.059 0.049 0.000 0.903 181 L HN 0.323 nan 8.230 nan 0.000 0.435 182 S N -0.222 115.504 115.700 0.043 0.000 2.370 182 S HA -0.256 4.215 4.470 0.001 0.000 0.226 182 S C 1.771 176.389 174.600 0.031 0.000 1.033 182 S CA 1.555 59.771 58.200 0.027 0.000 1.011 182 S CB -0.327 62.880 63.200 0.012 0.000 0.852 182 S HN 0.507 nan 8.310 nan 0.000 0.457 183 E N 1.848 122.067 120.200 0.032 0.000 2.051 183 E HA 0.310 4.660 4.350 0.001 0.000 0.189 183 E C 1.269 177.900 176.600 0.052 0.000 0.979 183 E CA 0.437 56.857 56.400 0.035 0.000 0.803 183 E CB -0.329 29.384 29.700 0.022 0.000 0.761 183 E HN 0.688 nan 8.360 nan 0.000 0.451 184 A N 1.238 124.105 122.820 0.077 0.000 2.567 184 A HA 0.079 4.400 4.320 0.001 0.000 0.236 184 A C 0.651 178.271 177.584 0.060 0.000 1.088 184 A CA 0.805 52.893 52.037 0.085 0.000 0.776 184 A CB -0.080 18.992 19.000 0.121 0.000 1.033 184 A HN 0.289 nan 8.150 nan 0.000 0.513 185 T N -1.675 112.912 114.554 0.054 0.000 2.841 185 T HA 0.528 4.879 4.350 0.001 0.000 0.276 185 T C 0.883 175.606 174.700 0.038 0.000 1.003 185 T CA 0.205 62.325 62.100 0.034 0.000 0.995 185 T CB 0.925 69.803 68.868 0.018 0.000 1.260 185 T HN 0.719 nan 8.240 nan 0.000 0.581 186 E N 0.955 121.162 120.200 0.013 0.000 1.998 186 E HA -0.266 4.084 4.350 0.001 0.000 0.221 186 E C 2.275 178.898 176.600 0.039 0.000 1.018 186 E CA 2.924 59.333 56.400 0.015 0.000 0.891 186 E CB -0.705 28.960 29.700 -0.059 0.000 0.807 186 E HN 0.769 nan 8.360 nan 0.000 0.523 187 S N 0.335 115.997 115.700 -0.064 0.000 2.400 187 S HA -0.318 4.153 4.470 0.001 0.000 0.234 187 S C 1.882 176.492 174.600 0.017 0.000 1.049 187 S CA 1.749 59.894 58.200 -0.091 0.000 1.039 187 S CB -0.734 62.408 63.200 -0.097 0.000 0.856 187 S HN 0.382 nan 8.310 nan 0.000 0.465 188 D N 1.636 122.060 120.400 0.040 0.000 2.106 188 D HA -0.081 4.559 4.640 0.001 0.000 0.191 188 D C 2.028 178.387 176.300 0.099 0.000 0.997 188 D CA 1.582 55.621 54.000 0.065 0.000 0.834 188 D CB -0.243 40.600 40.800 0.072 0.000 0.956 188 D HN 0.423 nan 8.370 nan 0.000 0.448 189 L N -0.173 121.128 121.223 0.129 0.000 1.955 189 L HA -0.250 4.091 4.340 0.001 0.000 0.213 189 L C 2.689 179.640 176.870 0.135 0.000 1.072 189 L CA 1.290 56.205 54.840 0.124 0.000 0.755 189 L CB -0.985 41.132 42.059 0.097 0.000 0.888 189 L HN 0.106 nan 8.230 nan 0.000 0.432 190 Y N 0.612 120.891 120.300 -0.036 0.000 2.132 190 Y HA -0.327 4.223 4.550 0.001 0.000 0.280 190 Y C 2.549 178.423 175.900 -0.043 0.000 1.193 190 Y CA 1.539 59.612 58.100 -0.045 0.000 1.157 190 Y CB -0.628 37.798 38.460 -0.055 0.000 0.966 190 Y HN 0.142 nan 8.280 nan 0.000 0.511 191 K N -0.268 120.207 120.400 0.125 0.000 2.504 191 K HA -0.045 4.276 4.320 0.001 0.000 0.195 191 K C 1.467 178.061 176.600 -0.011 0.000 1.036 191 K CA 0.667 56.977 56.287 0.038 0.000 0.984 191 K CB -0.157 32.353 32.500 0.016 0.000 0.788 191 K HN 0.358 nan 8.250 nan 0.000 0.488 192 L N -0.320 120.904 121.223 0.001 0.000 2.463 192 L HA 0.063 4.403 4.340 0.001 0.000 0.219 192 L C 0.801 177.652 176.870 -0.033 0.000 1.088 192 L CA 0.341 55.160 54.840 -0.035 0.000 0.849 192 L CB 0.175 42.257 42.059 0.039 0.000 1.012 192 L HN 0.054 nan 8.230 nan 0.000 0.468 193 K N -1.834 118.546 120.400 -0.034 0.000 3.576 193 K HA -0.135 4.186 4.320 0.001 0.000 0.266 193 K C 0.247 176.793 176.600 -0.090 0.000 0.969 193 K CA 0.644 56.894 56.287 -0.063 0.000 1.137 193 K CB -0.739 31.734 32.500 -0.044 0.000 1.294 193 K HN 0.111 nan 8.250 nan 0.000 0.536 194 E N 1.852 122.016 120.200 -0.059 0.000 2.366 194 E HA 0.007 4.357 4.350 0.001 0.000 0.266 194 E C -0.083 176.437 176.600 -0.133 0.000 1.015 194 E CA 0.184 56.550 56.400 -0.057 0.000 0.906 194 E CB 0.871 30.562 29.700 -0.016 0.000 0.979 194 E HN 0.284 nan 8.360 nan 0.000 0.443 195 C N 7.894 127.118 119.300 -0.127 0.000 2.653 195 C HA 0.129 4.589 4.460 0.001 0.000 0.421 195 C C -0.644 174.275 174.990 -0.119 0.000 1.334 195 C CA -1.601 57.297 59.018 -0.201 0.000 1.885 195 C CB 0.019 27.705 27.740 -0.090 0.000 2.645 195 C HN 0.625 nan 8.230 nan 0.000 0.601 196 P HA -0.174 nan 4.420 nan 0.000 0.213 196 P C 1.512 178.781 177.300 -0.052 0.000 1.170 196 P CA 1.917 64.942 63.100 -0.126 0.000 0.898 196 P CB -0.227 31.368 31.700 -0.176 0.000 0.787 197 F N 0.293 120.224 119.950 -0.032 0.000 2.257 197 F HA -0.194 4.334 4.527 0.001 0.000 0.302 197 F C 1.323 177.207 175.800 0.140 0.000 1.056 197 F CA 0.506 58.499 58.000 -0.012 0.000 1.353 197 F CB -0.976 37.923 39.000 -0.168 0.000 1.064 197 F HN 0.018 nan 8.300 nan 0.000 0.520 198 D N 0.349 120.927 120.400 0.295 0.000 2.449 198 D HA -0.056 4.584 4.640 0.001 0.000 0.236 198 D C 0.986 177.425 176.300 0.232 0.000 1.149 198 D CA 0.249 54.418 54.000 0.282 0.000 0.878 198 D CB 0.630 41.550 40.800 0.202 0.000 1.198 198 D HN 0.023 nan 8.370 nan 0.000 0.446 199 M N 1.399 121.132 119.600 0.220 0.000 2.306 199 M HA 0.323 4.803 4.480 0.001 0.000 0.292 199 M C 0.857 177.224 176.300 0.112 0.000 1.018 199 M CA 0.285 55.673 55.300 0.148 0.000 1.007 199 M CB -0.714 31.959 32.600 0.122 0.000 1.510 199 M HN 0.394 nan 8.290 nan 0.000 0.537 200 G N 1.723 110.639 108.800 0.193 0.000 2.581 200 G HA2 0.027 3.987 3.960 0.001 0.000 0.289 200 G HA3 0.027 3.987 3.960 0.001 0.000 0.289 200 G C 0.734 175.658 174.900 0.040 0.000 1.303 200 G CA 1.182 46.272 45.100 -0.016 0.000 0.931 200 G HN 1.782 nan 8.290 nan 0.000 0.555 201 G N -3.544 105.132 108.800 -0.206 0.000 2.184 201 G HA2 0.219 4.179 3.960 0.001 0.000 0.206 201 G HA3 0.219 4.179 3.960 0.001 0.000 0.206 201 G C 0.229 175.105 174.900 -0.040 0.000 0.995 201 G CA 1.126 46.170 45.100 -0.093 0.000 0.651 201 G HN 2.325 nan 8.290 nan 0.000 0.511 202 Y N -1.011 119.208 120.300 -0.135 0.000 2.630 202 Y HA 0.873 5.423 4.550 0.001 0.000 0.337 202 Y C 0.083 175.933 175.900 -0.082 0.000 1.051 202 Y CA -2.366 55.718 58.100 -0.025 0.000 1.121 202 Y CB 0.750 39.184 38.460 -0.044 0.000 1.299 202 Y HN -0.061 nan 8.280 nan 0.000 0.498 203 F N 0.457 120.413 119.950 0.010 0.000 2.362 203 F HA 0.656 5.183 4.527 0.001 0.000 0.340 203 F C -0.145 175.704 175.800 0.083 0.000 1.088 203 F CA -1.628 56.346 58.000 -0.043 0.000 1.096 203 F CB 0.825 39.797 39.000 -0.047 0.000 1.486 203 F HN 0.345 nan 8.300 nan 0.000 0.500 204 I N 2.060 122.808 120.570 0.296 0.000 2.642 204 I HA 0.189 4.359 4.170 0.001 0.000 0.273 204 I C -1.395 174.838 176.117 0.193 0.000 1.208 204 I CA -0.153 61.272 61.300 0.209 0.000 1.037 204 I CB 0.760 38.832 38.000 0.120 0.000 1.253 204 I HN 0.206 nan 8.210 nan 0.000 0.504 205 I N 3.884 124.547 120.570 0.156 0.000 2.783 205 I HA 0.276 4.446 4.170 0.001 0.000 0.312 205 I C 1.271 177.434 176.117 0.077 0.000 0.988 205 I CA -0.576 60.789 61.300 0.109 0.000 1.182 205 I CB 0.438 38.484 38.000 0.076 0.000 1.368 205 I HN 0.340 nan 8.210 nan 0.000 0.511 206 N N 3.767 122.498 118.700 0.053 0.000 2.942 206 N HA -0.248 4.492 4.740 0.001 0.000 0.284 206 N C 1.087 176.623 175.510 0.044 0.000 1.019 206 N CA 1.198 54.268 53.050 0.032 0.000 0.879 206 N CB -0.605 37.893 38.487 0.018 0.000 0.917 206 N HN 1.004 nan 8.380 nan 0.000 0.606 207 G N -1.186 107.648 108.800 0.057 0.000 3.757 207 G HA2 -0.360 3.601 3.960 0.001 0.000 0.215 207 G HA3 -0.360 3.601 3.960 0.001 0.000 0.215 207 G C 0.151 175.097 174.900 0.077 0.000 1.411 207 G CA 0.408 45.553 45.100 0.075 0.000 0.896 207 G HN 0.850 nan 8.290 nan 0.000 0.581 208 S N 1.571 117.310 115.700 0.064 0.000 2.572 208 S HA 0.487 4.958 4.470 0.001 0.000 0.279 208 S C -0.011 174.629 174.600 0.068 0.000 1.341 208 S CA 0.120 58.349 58.200 0.048 0.000 1.043 208 S CB 1.481 64.696 63.200 0.024 0.000 0.887 208 S HN 0.592 nan 8.310 nan 0.000 0.516 209 E N 1.849 122.075 120.200 0.042 0.000 1.944 209 E HA 0.125 4.475 4.350 0.001 0.000 0.272 209 E C -0.345 176.284 176.600 0.047 0.000 1.195 209 E CA -0.307 56.139 56.400 0.077 0.000 0.926 209 E CB 0.342 29.982 29.700 -0.101 0.000 1.051 209 E HN 0.302 nan 8.360 nan 0.000 0.404 210 K N 2.164 122.639 120.400 0.125 0.000 2.201 210 K HA 0.330 4.650 4.320 0.001 0.000 0.278 210 K C -0.487 176.165 176.600 0.086 0.000 1.027 210 K CA -0.677 55.646 56.287 0.061 0.000 0.909 210 K CB 1.813 34.334 32.500 0.035 0.000 1.062 210 K HN 0.181 nan 8.250 nan 0.000 0.465 211 V N 4.961 124.850 119.914 -0.042 0.000 2.409 211 V HA 0.316 4.436 4.120 0.001 0.000 0.291 211 V C 0.185 176.205 176.094 -0.123 0.000 1.020 211 V CA -0.886 61.362 62.300 -0.088 0.000 0.848 211 V CB 1.352 32.968 31.823 -0.345 0.000 0.990 211 V HN 0.557 nan 8.190 nan 0.000 0.430 212 L N 5.804 126.976 121.223 -0.085 0.000 2.313 212 L HA 0.391 4.732 4.340 0.001 0.000 0.282 212 L C -0.230 176.566 176.870 -0.124 0.000 1.092 212 L CA -0.230 54.526 54.840 -0.140 0.000 0.831 212 L CB 0.771 42.757 42.059 -0.121 0.000 1.159 212 L HN 0.413 nan 8.230 nan 0.000 0.442 213 I N 3.026 123.505 120.570 -0.151 0.000 2.440 213 I HA 0.232 4.402 4.170 0.001 0.000 0.294 213 I C 0.824 176.882 176.117 -0.098 0.000 0.995 213 I CA -0.455 60.780 61.300 -0.107 0.000 1.306 213 I CB 1.550 39.503 38.000 -0.079 0.000 1.407 213 I HN 0.603 nan 8.210 nan 0.000 0.501 214 A N 7.412 130.198 122.820 -0.058 0.000 2.567 214 A HA 0.043 4.363 4.320 0.001 0.000 0.240 214 A C 0.234 177.789 177.584 -0.049 0.000 1.053 214 A CA 0.044 52.056 52.037 -0.041 0.000 0.755 214 A CB -0.159 18.833 19.000 -0.014 0.000 0.978 214 A HN 0.648 nan 8.150 nan 0.000 0.507 215 Q N 2.042 121.810 119.800 -0.054 0.000 2.506 215 Q HA 0.167 4.507 4.340 0.001 0.000 0.242 215 Q C -0.217 175.767 176.000 -0.026 0.000 1.060 215 Q CA -0.153 55.617 55.803 -0.055 0.000 0.826 215 Q CB 1.204 29.889 28.738 -0.089 0.000 1.169 215 Q HN 0.926 nan 8.270 nan 0.000 0.521 216 E N 2.997 123.196 120.200 -0.002 0.000 2.414 216 E HA 0.100 4.450 4.350 0.001 0.000 0.263 216 E C -0.435 176.167 176.600 0.003 0.000 1.000 216 E CA 0.144 56.554 56.400 0.017 0.000 0.914 216 E CB 0.524 30.273 29.700 0.082 0.000 0.948 216 E HN 0.415 nan 8.360 nan 0.000 0.444 217 R N 1.276 121.767 120.500 -0.015 0.000 2.716 217 R HA 0.309 4.649 4.340 0.001 0.000 0.271 217 R C -1.322 174.959 176.300 -0.033 0.000 1.028 217 R CA -0.830 55.261 56.100 -0.015 0.000 0.883 217 R CB 0.871 31.162 30.300 -0.015 0.000 1.250 217 R HN 0.238 nan 8.270 nan 0.000 0.465 218 S N 0.825 116.511 115.700 -0.022 0.000 2.488 218 S HA 0.516 4.987 4.470 0.001 0.000 0.278 218 S C 0.315 174.881 174.600 -0.057 0.000 1.259 218 S CA 0.086 58.266 58.200 -0.032 0.000 1.061 218 S CB -0.203 62.993 63.200 -0.005 0.000 0.910 218 S HN 0.819 nan 8.310 nan 0.000 0.491 219 A N 4.357 127.119 122.820 -0.097 0.000 2.577 219 A HA 0.490 4.810 4.320 0.001 0.000 0.233 219 A C 0.879 178.404 177.584 -0.099 0.000 1.076 219 A CA 0.337 52.297 52.037 -0.129 0.000 0.767 219 A CB -0.356 18.518 19.000 -0.209 0.000 1.017 219 A HN 1.018 nan 8.150 nan 0.000 0.511 220 G N -0.691 108.051 108.800 -0.097 0.000 2.509 220 G HA2 0.478 4.438 3.960 0.001 0.000 0.328 220 G HA3 0.478 4.438 3.960 0.001 0.000 0.328 220 G C -0.325 174.518 174.900 -0.096 0.000 1.194 220 G CA -0.440 44.614 45.100 -0.077 0.000 0.967 220 G HN 1.053 nan 8.290 nan 0.000 0.488 221 N N -1.100 117.525 118.700 -0.124 0.000 2.681 221 N HA -0.156 4.585 4.740 0.001 0.000 0.259 221 N C -0.682 174.789 175.510 -0.065 0.000 1.066 221 N CA 1.050 53.977 53.050 -0.204 0.000 0.717 221 N CB -1.151 37.181 38.487 -0.258 0.000 0.885 221 N HN 0.579 nan 8.380 nan 0.000 0.547 222 I N -0.807 119.736 120.570 -0.046 0.000 2.752 222 I HA 0.325 4.496 4.170 0.001 0.000 0.295 222 I C 0.008 176.087 176.117 -0.063 0.000 1.219 222 I CA -1.188 60.094 61.300 -0.029 0.000 1.030 222 I CB 2.426 40.384 38.000 -0.070 0.000 1.259 222 I HN -0.199 nan 8.210 nan 0.000 0.423 223 V N 3.552 123.410 119.914 -0.094 0.000 2.481 223 V HA 0.559 4.679 4.120 0.001 0.000 0.286 223 V C -0.398 175.545 176.094 -0.252 0.000 1.042 223 V CA -0.484 61.707 62.300 -0.182 0.000 0.928 223 V CB 1.140 32.812 31.823 -0.253 0.000 0.986 223 V HN 0.753 nan 8.190 nan 0.000 0.462 224 Q N 2.046 121.637 119.800 -0.347 0.000 2.377 224 Q HA 0.698 5.038 4.340 0.001 0.000 0.279 224 Q C -1.356 174.236 176.000 -0.679 0.000 1.049 224 Q CA -0.895 54.606 55.803 -0.504 0.000 0.825 224 Q CB 3.098 31.480 28.738 -0.594 0.000 1.401 224 Q HN 0.779 nan 8.270 nan 0.000 0.404 225 V N -1.063 118.480 119.914 -0.618 0.000 2.581 225 V HA 0.724 4.844 4.120 0.001 0.000 0.303 225 V C -0.818 175.011 176.094 -0.443 0.000 1.041 225 V CA -0.612 61.410 62.300 -0.464 0.000 0.907 225 V CB 0.920 32.606 31.823 -0.227 0.000 0.994 225 V HN 0.667 nan 8.190 nan 0.000 0.442 226 F N 1.300 121.187 119.950 -0.104 0.000 2.547 226 F HA 0.527 5.055 4.527 0.001 0.000 0.316 226 F C 0.352 176.036 175.800 -0.194 0.000 1.121 226 F CA -1.048 56.874 58.000 -0.131 0.000 0.911 226 F CB 2.485 41.434 39.000 -0.086 0.000 1.179 226 F HN 0.417 nan 8.300 nan 0.000 0.443 227 K N 3.601 123.972 120.400 -0.048 0.000 2.322 227 K HA 0.276 4.597 4.320 0.001 0.000 0.283 227 K C -0.486 176.080 176.600 -0.057 0.000 1.042 227 K CA -0.319 55.840 56.287 -0.213 0.000 0.958 227 K CB 1.074 33.436 32.500 -0.231 0.000 0.984 227 K HN 0.548 nan 8.250 nan 0.000 0.473 228 K N 1.540 121.937 120.400 -0.005 0.000 2.156 228 K HA 0.324 4.644 4.320 0.001 0.000 0.254 228 K C -0.372 176.225 176.600 -0.005 0.000 0.950 228 K CA -0.681 55.603 56.287 -0.004 0.000 0.849 228 K CB 1.733 34.236 32.500 0.006 0.000 1.100 228 K HN 0.716 nan 8.250 nan 0.000 0.434 229 A N 1.526 124.333 122.820 -0.021 0.000 2.653 229 A HA -0.064 4.256 4.320 0.001 0.000 0.227 229 A C 1.301 178.882 177.584 -0.006 0.000 1.066 229 A CA 1.134 53.161 52.037 -0.018 0.000 0.771 229 A CB -0.112 18.874 19.000 -0.024 0.000 0.980 229 A HN 0.948 nan 8.150 nan 0.000 0.507 230 A N 2.163 124.980 122.820 -0.004 0.000 1.978 230 A HA 0.045 4.365 4.320 0.001 0.000 0.220 230 A C -0.632 176.951 177.584 -0.001 0.000 1.170 230 A CA 1.627 53.666 52.037 0.002 0.000 0.636 230 A CB -1.126 17.875 19.000 0.002 0.000 0.810 230 A HN 0.770 nan 8.150 nan 0.000 0.448 231 P HA 0.376 nan 4.420 nan 0.000 0.234 231 P C -0.760 176.532 177.300 -0.013 0.000 1.799 231 P CA 0.281 63.377 63.100 -0.008 0.000 1.118 231 P CB 0.462 32.157 31.700 -0.008 0.000 1.827 232 S N 3.723 119.414 115.700 -0.015 0.000 2.678 232 S HA 0.321 4.791 4.470 0.001 0.000 0.290 232 S C -2.349 172.227 174.600 -0.040 0.000 1.047 232 S CA -0.773 57.409 58.200 -0.031 0.000 0.851 232 S CB 1.108 64.285 63.200 -0.038 0.000 1.058 232 S HN 0.082 nan 8.310 nan 0.000 0.451 233 P HA 0.178 nan 4.420 nan 0.000 0.220 233 P C 0.321 177.525 177.300 -0.160 0.000 1.152 233 P CA 0.519 63.571 63.100 -0.080 0.000 0.812 233 P CB -0.196 31.463 31.700 -0.069 0.000 0.792 234 I N 0.697 121.127 120.570 -0.233 0.000 2.556 234 I HA 0.012 4.182 4.170 0.001 0.000 0.284 234 I C 2.015 178.089 176.117 -0.071 0.000 1.114 234 I CA 0.431 61.588 61.300 -0.238 0.000 1.418 234 I CB 0.539 38.399 38.000 -0.234 0.000 1.394 234 I HN -0.078 nan 8.210 nan 0.000 0.552 235 S N 5.477 121.162 115.700 -0.024 0.000 2.310 235 S HA 0.189 4.659 4.470 0.001 0.000 0.205 235 S C 0.517 175.324 174.600 0.344 0.000 1.020 235 S CA 0.538 58.791 58.200 0.088 0.000 0.939 235 S CB 0.015 63.165 63.200 -0.084 0.000 0.919 235 S HN 0.672 nan 8.310 nan 0.000 0.501 236 H N -1.011 118.045 119.070 -0.023 0.000 2.797 236 H HA 0.749 5.306 4.556 0.001 0.000 0.372 236 H C -1.478 173.837 175.328 -0.022 0.000 1.168 236 H CA -1.271 54.770 56.048 -0.012 0.000 1.163 236 H CB 2.063 31.814 29.762 -0.019 0.000 1.778 236 H HN 0.180 nan 8.280 nan 0.000 0.551 237 V N 0.471 120.449 119.914 0.105 0.000 3.087 237 V HA 0.564 4.685 4.120 0.001 0.000 0.306 237 V C -0.940 175.110 176.094 -0.074 0.000 1.187 237 V CA -0.884 61.429 62.300 0.022 0.000 0.999 237 V CB 2.004 33.846 31.823 0.031 0.000 1.049 237 V HN 0.915 nan 8.190 nan 0.000 0.431 238 A N 2.330 125.085 122.820 -0.109 0.000 2.304 238 A HA 0.824 5.144 4.320 0.001 0.000 0.314 238 A C -0.471 177.009 177.584 -0.173 0.000 1.187 238 A CA -0.516 51.399 52.037 -0.203 0.000 0.810 238 A CB 0.779 19.665 19.000 -0.190 0.000 1.183 238 A HN 0.819 nan 8.150 nan 0.000 0.487 239 E N 0.859 120.919 120.200 -0.233 0.000 2.232 239 E HA 0.719 5.069 4.350 0.001 0.000 0.264 239 E C -1.268 175.260 176.600 -0.119 0.000 0.973 239 E CA -0.710 55.609 56.400 -0.135 0.000 0.849 239 E CB 2.574 32.225 29.700 -0.080 0.000 1.198 239 E HN 0.603 nan 8.360 nan 0.000 0.407 240 I N 0.892 121.427 120.570 -0.059 0.000 2.690 240 I HA 0.161 4.332 4.170 0.001 0.000 0.286 240 I C -1.380 174.722 176.117 -0.025 0.000 1.313 240 I CA -0.387 60.894 61.300 -0.033 0.000 1.070 240 I CB 1.055 39.074 38.000 0.032 0.000 1.323 240 I HN 0.389 nan 8.210 nan 0.000 0.432 241 R N 5.101 125.578 120.500 -0.037 0.000 2.248 241 R HA 0.327 4.668 4.340 0.001 0.000 0.337 241 R C -0.167 176.101 176.300 -0.053 0.000 1.106 241 R CA -0.283 55.800 56.100 -0.028 0.000 0.959 241 R CB 0.782 31.069 30.300 -0.022 0.000 1.075 241 R HN 0.625 nan 8.270 nan 0.000 0.480 242 S N 1.302 116.988 115.700 -0.023 0.000 2.457 242 S HA 0.738 5.208 4.470 0.001 0.000 0.289 242 S C -0.242 174.385 174.600 0.045 0.000 1.163 242 S CA -0.846 57.342 58.200 -0.020 0.000 1.078 242 S CB 2.045 65.290 63.200 0.075 0.000 0.987 242 S HN 0.640 nan 8.310 nan 0.000 0.482 243 A N 3.319 126.163 122.820 0.040 0.000 2.513 243 A HA 0.553 4.873 4.320 0.001 0.000 0.296 243 A C -0.678 176.943 177.584 0.063 0.000 1.052 243 A CA -0.909 51.172 52.037 0.073 0.000 0.714 243 A CB 0.779 19.814 19.000 0.058 0.000 1.279 243 A HN 0.856 nan 8.150 nan 0.000 0.397 244 L N 2.739 123.991 121.223 0.048 0.000 2.562 244 L HA 0.061 4.401 4.340 0.001 0.000 0.271 244 L C 1.591 178.473 176.870 0.020 0.000 1.167 244 L CA 0.013 54.862 54.840 0.015 0.000 0.917 244 L CB 0.309 42.334 42.059 -0.056 0.000 1.187 244 L HN 0.966 nan 8.230 nan 0.000 0.482 245 E N 2.687 122.908 120.200 0.035 0.000 2.187 245 E HA -0.177 4.173 4.350 0.001 0.000 0.199 245 E C -0.146 176.473 176.600 0.031 0.000 1.004 245 E CA 1.407 57.831 56.400 0.041 0.000 0.813 245 E CB 0.119 29.851 29.700 0.053 0.000 0.736 245 E HN 0.502 nan 8.360 nan 0.000 0.468 246 K N -1.136 119.269 120.400 0.010 0.000 2.588 246 K HA 0.437 4.757 4.320 0.001 0.000 0.250 246 K C -0.995 175.583 176.600 -0.037 0.000 0.972 246 K CA -0.042 56.244 56.287 -0.002 0.000 0.821 246 K CB 2.347 34.849 32.500 0.004 0.000 1.249 246 K HN 0.118 nan 8.250 nan 0.000 0.442 247 G N 1.418 110.187 108.800 -0.051 0.000 2.992 247 G HA2 -0.025 3.935 3.960 0.001 0.000 0.677 247 G HA3 -0.025 3.935 3.960 0.001 0.000 0.677 247 G C 0.156 174.961 174.900 -0.158 0.000 1.191 247 G CA 0.068 45.109 45.100 -0.097 0.000 1.178 247 G HN 0.713 nan 8.290 nan 0.000 0.506 248 S N 1.069 116.688 115.700 -0.135 0.000 2.156 248 S HA -0.335 4.136 4.470 0.001 0.000 0.234 248 S C 1.388 175.950 174.600 -0.064 0.000 1.141 248 S CA 2.418 60.523 58.200 -0.158 0.000 1.592 248 S CB -1.193 61.765 63.200 -0.404 0.000 2.054 248 S HN 2.349 nan 8.310 nan 0.000 0.586 249 R N 0.342 120.802 120.500 -0.067 0.000 3.022 249 R HA -0.133 4.207 4.340 0.001 0.000 0.248 249 R C 0.177 176.586 176.300 0.182 0.000 0.874 249 R CA 1.053 57.176 56.100 0.039 0.000 0.626 249 R CB -2.360 27.975 30.300 0.058 0.000 1.255 249 R HN 0.583 nan 8.270 nan 0.000 0.496 250 F N 0.534 120.498 119.950 0.024 0.000 2.485 250 F HA 0.150 4.678 4.527 0.001 0.000 0.327 250 F C 1.739 177.557 175.800 0.031 0.000 1.203 250 F CA -0.379 57.639 58.000 0.030 0.000 1.295 250 F CB 0.596 39.613 39.000 0.028 0.000 1.191 250 F HN 0.185 nan 8.300 nan 0.000 0.588 251 I N 1.921 122.613 120.570 0.204 0.000 2.914 251 I HA 0.029 4.199 4.170 0.001 0.000 0.303 251 I C -0.827 175.325 176.117 0.058 0.000 1.553 251 I CA -0.174 61.190 61.300 0.108 0.000 0.799 251 I CB 0.649 38.696 38.000 0.078 0.000 2.056 251 I HN 0.331 nan 8.210 nan 0.000 0.613 252 S N 0.456 116.194 115.700 0.064 0.000 2.499 252 S HA 0.528 4.999 4.470 0.001 0.000 0.279 252 S C 0.187 174.802 174.600 0.025 0.000 1.219 252 S CA -0.515 57.705 58.200 0.033 0.000 1.062 252 S CB 1.308 64.531 63.200 0.037 0.000 0.978 252 S HN 0.264 nan 8.310 nan 0.000 0.489 253 T N 3.553 118.111 114.554 0.008 0.000 2.889 253 T HA 0.448 4.798 4.350 0.001 0.000 0.291 253 T C -0.461 174.221 174.700 -0.031 0.000 0.995 253 T CA -0.503 61.593 62.100 -0.006 0.000 1.092 253 T CB 0.684 69.550 68.868 -0.002 0.000 0.954 253 T HN 0.574 nan 8.240 nan 0.000 0.506 254 L N 3.342 124.537 121.223 -0.046 0.000 2.319 254 L HA 0.405 4.745 4.340 0.001 0.000 0.281 254 L C -0.558 176.270 176.870 -0.070 0.000 1.005 254 L CA -0.152 54.634 54.840 -0.091 0.000 0.828 254 L CB 1.256 43.236 42.059 -0.132 0.000 1.227 254 L HN 0.597 nan 8.230 nan 0.000 0.415 255 Q N 3.918 123.680 119.800 -0.063 0.000 2.312 255 Q HA 0.632 4.973 4.340 0.001 0.000 0.263 255 Q C -1.281 174.698 176.000 -0.036 0.000 0.995 255 Q CA -0.882 54.897 55.803 -0.040 0.000 0.853 255 Q CB 2.962 31.692 28.738 -0.015 0.000 1.300 255 Q HN 0.468 nan 8.270 nan 0.000 0.448 256 V N 3.450 123.345 119.914 -0.031 0.000 2.327 256 V HA 0.200 4.320 4.120 0.001 0.000 0.272 256 V C 0.002 176.102 176.094 0.010 0.000 1.019 256 V CA -0.561 61.731 62.300 -0.013 0.000 0.814 256 V CB 0.819 32.620 31.823 -0.037 0.000 1.040 256 V HN 0.676 nan 8.190 nan 0.000 0.440 257 K N 2.742 123.173 120.400 0.050 0.000 2.916 257 K HA 0.587 4.907 4.320 0.001 0.000 0.320 257 K C -0.375 176.275 176.600 0.083 0.000 1.032 257 K CA -0.448 55.876 56.287 0.062 0.000 1.074 257 K CB 0.301 32.858 32.500 0.096 0.000 1.192 257 K HN 0.353 nan 8.250 nan 0.000 0.468 258 L N 0.399 121.686 121.223 0.107 0.000 2.664 258 L HA 0.180 4.520 4.340 0.001 0.000 0.239 258 L C -1.518 175.418 176.870 0.109 0.000 1.198 258 L CA -0.118 54.786 54.840 0.106 0.000 0.976 258 L CB -0.764 41.305 42.059 0.016 0.000 1.149 258 L HN 0.427 nan 8.230 nan 0.000 0.614 259 Y N 1.685 121.986 120.300 0.002 0.000 2.629 259 Y HA 0.358 4.908 4.550 0.001 0.000 0.354 259 Y C 1.667 177.561 175.900 -0.009 0.000 1.268 259 Y CA 1.536 59.639 58.100 0.004 0.000 1.475 259 Y CB 0.073 38.541 38.460 0.013 0.000 1.346 259 Y HN 0.859 nan 8.280 nan 0.000 0.685 260 G N 1.715 110.602 108.800 0.145 0.000 3.347 260 G HA2 -0.219 3.742 3.960 0.001 0.000 0.597 260 G HA3 -0.219 3.742 3.960 0.001 0.000 0.597 260 G C 0.036 174.943 174.900 0.012 0.000 0.831 260 G CA -0.571 44.571 45.100 0.070 0.000 0.778 260 G HN 0.558 nan 8.290 nan 0.000 0.459 261 R N 1.125 121.629 120.500 0.005 0.000 3.038 261 R HA 0.190 4.530 4.340 0.001 0.000 0.263 261 R C 0.964 177.253 176.300 -0.019 0.000 1.208 261 R CA -0.289 55.806 56.100 -0.008 0.000 1.116 261 R CB 0.244 30.547 30.300 0.005 0.000 1.045 261 R HN 0.758 nan 8.270 nan 0.000 0.549 262 E N 0.035 120.226 120.200 -0.016 0.000 2.159 262 E HA 0.113 4.464 4.350 0.001 0.000 0.272 262 E C 0.274 176.869 176.600 -0.009 0.000 1.138 262 E CA 0.641 57.028 56.400 -0.021 0.000 0.915 262 E CB -0.029 29.667 29.700 -0.006 0.000 1.028 262 E HN 0.699 nan 8.360 nan 0.000 0.423 263 G N 3.436 112.229 108.800 -0.011 0.000 2.981 263 G HA2 -0.308 3.652 3.960 0.001 0.000 0.199 263 G HA3 -0.308 3.652 3.960 0.001 0.000 0.199 263 G C 0.167 175.068 174.900 0.003 0.000 1.586 263 G CA -0.153 44.945 45.100 -0.003 0.000 1.162 263 G HN 0.956 nan 8.290 nan 0.000 0.538 264 S N 1.432 117.137 115.700 0.007 0.000 2.711 264 S HA 0.335 4.806 4.470 0.001 0.000 0.320 264 S C 0.704 175.313 174.600 0.015 0.000 1.240 264 S CA 0.899 59.107 58.200 0.014 0.000 1.034 264 S CB 0.515 63.728 63.200 0.022 0.000 0.741 264 S HN 2.169 nan 8.310 nan 0.000 0.496 265 S N 2.255 117.965 115.700 0.016 0.000 2.510 265 S HA 0.514 4.984 4.470 0.001 0.000 0.279 265 S C 0.560 175.172 174.600 0.020 0.000 1.284 265 S CA -0.438 57.772 58.200 0.015 0.000 1.059 265 S CB 0.055 63.263 63.200 0.014 0.000 0.901 265 S HN 2.426 nan 8.310 nan 0.000 0.491 266 A N 2.610 125.441 122.820 0.018 0.000 2.974 266 A HA -0.094 4.226 4.320 0.001 0.000 0.272 266 A C 0.239 177.843 177.584 0.033 0.000 1.343 266 A CA -0.336 51.714 52.037 0.021 0.000 0.729 266 A CB -1.832 17.180 19.000 0.020 0.000 1.087 266 A HN 0.826 nan 8.150 nan 0.000 0.398 267 R N 1.292 121.807 120.500 0.026 0.000 3.701 267 R HA 0.190 4.530 4.340 0.001 0.000 0.210 267 R C 0.853 177.179 176.300 0.043 0.000 1.598 267 R CA 0.663 56.783 56.100 0.033 0.000 1.427 267 R CB 0.156 30.455 30.300 -0.001 0.000 1.339 267 R HN 0.786 nan 8.270 nan 0.000 0.720 268 T N 0.966 115.556 114.554 0.059 0.000 2.813 268 T HA 0.305 4.656 4.350 0.001 0.000 0.297 268 T C 0.414 175.166 174.700 0.087 0.000 1.036 268 T CA -0.186 61.941 62.100 0.045 0.000 1.044 268 T CB 0.543 69.404 68.868 -0.012 0.000 0.993 268 T HN 0.316 nan 8.240 nan 0.000 0.535 269 I N 3.626 124.240 120.570 0.073 0.000 2.410 269 I HA 0.439 4.610 4.170 0.001 0.000 0.286 269 I C 0.178 176.351 176.117 0.094 0.000 1.009 269 I CA -0.796 60.563 61.300 0.099 0.000 1.111 269 I CB 1.631 39.676 38.000 0.075 0.000 1.262 269 I HN 0.582 nan 8.210 nan 0.000 0.443 270 K N 4.572 125.058 120.400 0.142 0.000 2.350 270 K HA 0.922 5.243 4.320 0.001 0.000 0.241 270 K C -1.045 175.624 176.600 0.114 0.000 0.994 270 K CA -0.920 55.435 56.287 0.113 0.000 0.839 270 K CB 2.943 35.497 32.500 0.090 0.000 1.244 270 K HN 0.620 nan 8.250 nan 0.000 0.443 271 A N 0.830 123.693 122.820 0.072 0.000 2.449 271 A HA 0.571 4.891 4.320 0.001 0.000 0.302 271 A C -0.969 176.627 177.584 0.020 0.000 1.048 271 A CA -0.651 51.407 52.037 0.036 0.000 0.708 271 A CB 1.592 20.592 19.000 0.001 0.000 1.274 271 A HN 0.529 nan 8.150 nan 0.000 0.410 272 T N 2.388 116.943 114.554 0.002 0.000 2.837 272 T HA 0.611 4.961 4.350 0.001 0.000 0.285 272 T C -0.305 174.367 174.700 -0.047 0.000 0.984 272 T CA -0.072 62.023 62.100 -0.009 0.000 1.049 272 T CB 0.418 69.288 68.868 0.004 0.000 0.947 272 T HN 0.446 nan 8.240 nan 0.000 0.472 273 L N 4.579 125.779 121.223 -0.038 0.000 2.346 273 L HA 0.507 4.847 4.340 0.001 0.000 0.274 273 L C -2.111 174.759 176.870 0.000 0.000 1.007 273 L CA -2.722 52.089 54.840 -0.048 0.000 0.818 273 L CB 1.792 43.838 42.059 -0.021 0.000 1.284 273 L HN 0.375 nan 8.230 nan 0.000 0.424 274 P HA -0.096 nan 4.420 nan 0.000 0.265 274 P C -0.682 176.776 177.300 0.263 0.000 1.187 274 P CA 0.331 63.518 63.100 0.144 0.000 0.766 274 P CB 0.221 32.009 31.700 0.147 0.000 0.820 275 Y N -1.128 119.144 120.300 -0.047 0.000 4.409 275 Y HA -0.194 4.357 4.550 0.001 0.000 0.228 275 Y C 0.532 176.405 175.900 -0.045 0.000 1.108 275 Y CA 0.448 58.536 58.100 -0.020 0.000 1.955 275 Y CB -2.362 36.102 38.460 0.006 0.000 1.615 275 Y HN 0.329 nan 8.280 nan 0.000 0.665 276 I N -0.084 120.512 120.570 0.043 0.000 2.439 276 I HA 0.160 4.330 4.170 0.001 0.000 0.283 276 I C 1.103 177.209 176.117 -0.019 0.000 1.023 276 I CA -0.881 60.410 61.300 -0.016 0.000 1.100 276 I CB 1.698 39.666 38.000 -0.054 0.000 1.238 276 I HN -0.026 nan 8.210 nan 0.000 0.445 277 K N 3.368 123.760 120.400 -0.013 0.000 2.209 277 K HA -0.103 4.218 4.320 0.001 0.000 0.204 277 K C 0.753 177.348 176.600 -0.008 0.000 1.048 277 K CA 1.112 57.393 56.287 -0.011 0.000 0.940 277 K CB 0.191 32.692 32.500 0.001 0.000 0.729 277 K HN 0.558 nan 8.250 nan 0.000 0.451 278 Q N 0.181 119.966 119.800 -0.025 0.000 2.495 278 Q HA 0.121 4.461 4.340 0.001 0.000 0.283 278 Q C -1.105 174.883 176.000 -0.020 0.000 1.097 278 Q CA -0.875 54.920 55.803 -0.013 0.000 0.836 278 Q CB 1.776 30.503 28.738 -0.017 0.000 1.426 278 Q HN -0.044 nan 8.270 nan 0.000 0.459 279 D N 0.495 120.904 120.400 0.014 0.000 2.423 279 D HA 0.471 5.111 4.640 0.001 0.000 0.255 279 D C -0.400 175.898 176.300 -0.004 0.000 1.174 279 D CA 0.057 54.073 54.000 0.027 0.000 1.008 279 D CB 0.870 41.728 40.800 0.096 0.000 1.101 279 D HN 0.405 nan 8.370 nan 0.000 0.516 280 I N 0.825 121.406 120.570 0.017 0.000 2.692 280 I HA 0.164 4.334 4.170 0.001 0.000 0.293 280 I C -2.576 173.578 176.117 0.061 0.000 1.200 280 I CA -2.068 59.252 61.300 0.034 0.000 1.036 280 I CB 3.085 41.085 38.000 0.001 0.000 1.258 280 I HN -0.024 nan 8.210 nan 0.000 0.421 281 P HA 0.142 nan 4.420 nan 0.000 0.276 281 P C 1.194 178.553 177.300 0.098 0.000 1.264 281 P CA -0.132 63.017 63.100 0.083 0.000 0.769 281 P CB 0.624 32.378 31.700 0.090 0.000 0.840 282 I N 1.721 122.341 120.570 0.084 0.000 2.354 282 I HA -0.324 3.846 4.170 0.001 0.000 0.258 282 I C 1.275 177.478 176.117 0.142 0.000 1.111 282 I CA 1.574 62.912 61.300 0.062 0.000 1.390 282 I CB -1.181 36.863 38.000 0.073 0.000 1.072 282 I HN 0.000 nan 8.210 nan 0.000 0.441 283 V N 2.171 122.206 119.914 0.201 0.000 2.216 283 V HA -0.294 3.827 4.120 0.001 0.000 0.242 283 V C 2.587 178.816 176.094 0.225 0.000 1.042 283 V CA 2.498 64.952 62.300 0.256 0.000 0.991 283 V CB -0.873 31.061 31.823 0.186 0.000 0.633 283 V HN 0.438 nan 8.190 nan 0.000 0.449 284 I N 0.083 120.756 120.570 0.172 0.000 2.229 284 I HA -0.339 3.831 4.170 0.001 0.000 0.250 284 I C 2.380 178.576 176.117 0.132 0.000 1.096 284 I CA 2.044 63.440 61.300 0.160 0.000 1.358 284 I CB -0.557 37.562 38.000 0.198 0.000 1.047 284 I HN 0.295 nan 8.210 nan 0.000 0.422 285 I N -0.281 120.350 120.570 0.101 0.000 2.286 285 I HA -0.291 3.879 4.170 0.001 0.000 0.248 285 I C 2.430 178.561 176.117 0.023 0.000 1.115 285 I CA 1.642 62.964 61.300 0.036 0.000 1.392 285 I CB -0.386 37.619 38.000 0.009 0.000 1.065 285 I HN 0.115 nan 8.210 nan 0.000 0.418 286 F N 0.909 120.888 119.950 0.049 0.000 2.186 286 F HA -0.124 4.403 4.527 0.001 0.000 0.299 286 F C 2.727 178.531 175.800 0.005 0.000 1.090 286 F CA 0.889 58.898 58.000 0.015 0.000 1.307 286 F CB -0.033 38.991 39.000 0.040 0.000 1.019 286 F HN -0.117 nan 8.300 nan 0.000 0.489 287 R N -0.290 120.350 120.500 0.234 0.000 2.153 287 R HA -0.014 4.326 4.340 0.001 0.000 0.218 287 R C 2.192 178.549 176.300 0.094 0.000 1.072 287 R CA 0.850 57.032 56.100 0.138 0.000 0.990 287 R CB -0.400 29.968 30.300 0.114 0.000 0.889 287 R HN 0.171 nan 8.270 nan 0.000 0.452 288 A N 0.642 123.511 122.820 0.082 0.000 2.168 288 A HA -0.009 4.311 4.320 0.001 0.000 0.215 288 A C 1.692 179.279 177.584 0.005 0.000 1.152 288 A CA 0.765 52.824 52.037 0.038 0.000 0.716 288 A CB -0.109 18.906 19.000 0.025 0.000 0.794 288 A HN 0.189 nan 8.150 nan 0.000 0.465 289 L N -1.118 120.117 121.223 0.020 0.000 2.653 289 L HA 0.233 4.573 4.340 0.001 0.000 0.231 289 L C 1.379 178.266 176.870 0.029 0.000 1.153 289 L CA 0.474 55.308 54.840 -0.010 0.000 0.933 289 L CB 0.000 42.048 42.059 -0.018 0.000 1.175 289 L HN 0.550 nan 8.230 nan 0.000 0.473 290 G N 1.206 110.032 108.800 0.044 0.000 2.149 290 G HA2 -0.270 3.691 3.960 0.001 0.000 0.235 290 G HA3 -0.270 3.691 3.960 0.001 0.000 0.235 290 G C 0.109 175.042 174.900 0.056 0.000 1.018 290 G CA -0.162 44.964 45.100 0.043 0.000 0.728 290 G HN 0.348 nan 8.290 nan 0.000 0.508 291 I N 0.873 121.487 120.570 0.073 0.000 2.750 291 I HA 0.320 4.491 4.170 0.001 0.000 0.279 291 I C 1.629 177.780 176.117 0.057 0.000 1.206 291 I CA -0.753 60.582 61.300 0.060 0.000 1.101 291 I CB 0.384 38.393 38.000 0.015 0.000 1.431 291 I HN 0.067 nan 8.210 nan 0.000 0.551 292 I N 4.154 124.754 120.570 0.051 0.000 2.202 292 I HA -0.042 4.128 4.170 0.001 0.000 0.242 292 I C -1.059 175.084 176.117 0.044 0.000 1.091 292 I CA 0.757 62.087 61.300 0.049 0.000 1.368 292 I CB -0.865 37.159 38.000 0.040 0.000 1.058 292 I HN 0.335 nan 8.210 nan 0.000 0.410 293 P HA 0.128 nan 4.420 nan 0.000 0.284 293 P C -1.103 176.207 177.300 0.015 0.000 1.253 293 P CA -0.172 62.944 63.100 0.027 0.000 0.800 293 P CB 0.789 32.501 31.700 0.019 0.000 0.961 294 D N 0.994 121.411 120.400 0.029 0.000 2.349 294 D HA 0.188 4.829 4.640 0.001 0.000 0.239 294 D C 1.795 178.092 176.300 -0.005 0.000 1.315 294 D CA 0.884 54.896 54.000 0.021 0.000 0.937 294 D CB -0.536 40.287 40.800 0.037 0.000 1.133 294 D HN 0.680 nan 8.370 nan 0.000 0.489 295 G N -0.151 108.641 108.800 -0.014 0.000 2.746 295 G HA2 -0.475 3.485 3.960 0.001 0.000 0.236 295 G HA3 -0.475 3.485 3.960 0.001 0.000 0.236 295 G C 1.071 175.938 174.900 -0.054 0.000 1.172 295 G CA 1.004 46.087 45.100 -0.027 0.000 0.736 295 G HN 0.613 nan 8.290 nan 0.000 0.519 296 E N 0.267 120.431 120.200 -0.060 0.000 2.170 296 E HA 0.186 4.536 4.350 0.001 0.000 0.191 296 E C 2.642 179.149 176.600 -0.156 0.000 0.981 296 E CA 0.630 56.972 56.400 -0.095 0.000 0.830 296 E CB -0.109 29.564 29.700 -0.045 0.000 0.775 296 E HN 0.666 nan 8.360 nan 0.000 0.470 297 I N 1.082 121.564 120.570 -0.147 0.000 2.315 297 I HA -0.239 3.931 4.170 0.001 0.000 0.248 297 I C 2.063 178.034 176.117 -0.243 0.000 1.117 297 I CA 0.529 61.635 61.300 -0.323 0.000 1.404 297 I CB -0.075 37.770 38.000 -0.259 0.000 1.071 297 I HN 0.253 nan 8.210 nan 0.000 0.419 298 L N 0.442 121.602 121.223 -0.104 0.000 2.191 298 L HA -0.172 4.168 4.340 0.001 0.000 0.212 298 L C 2.365 179.231 176.870 -0.006 0.000 1.103 298 L CA 1.680 56.503 54.840 -0.029 0.000 0.769 298 L CB -1.069 40.985 42.059 -0.008 0.000 0.908 298 L HN 0.397 nan 8.230 nan 0.000 0.438 299 E N -0.967 119.185 120.200 -0.080 0.000 2.152 299 E HA -0.168 4.182 4.350 0.001 0.000 0.192 299 E C 1.902 178.502 176.600 -0.001 0.000 0.983 299 E CA 0.579 56.951 56.400 -0.047 0.000 0.818 299 E CB 0.005 29.610 29.700 -0.157 0.000 0.758 299 E HN 0.610 nan 8.360 nan 0.000 0.467 300 H N -0.104 118.919 119.070 -0.078 0.000 2.524 300 H HA 0.040 4.597 4.556 0.001 0.000 0.282 300 H C 1.956 177.479 175.328 0.325 0.000 1.016 300 H CA 0.765 56.746 56.048 -0.112 0.000 1.270 300 H CB 0.391 29.880 29.762 -0.455 0.000 1.394 300 H HN 0.214 nan 8.280 nan 0.000 0.568 301 I N -0.868 119.886 120.570 0.306 0.000 2.899 301 I HA -0.027 4.143 4.170 0.001 0.000 0.257 301 I C 0.865 176.972 176.117 -0.015 0.000 1.115 301 I CA 0.223 61.641 61.300 0.197 0.000 1.451 301 I CB 0.655 38.753 38.000 0.163 0.000 1.251 301 I HN 0.039 nan 8.210 nan 0.000 0.456 302 C N 1.272 120.614 119.300 0.070 0.000 2.264 302 C HA 0.317 4.777 4.460 0.001 0.000 0.324 302 C C 0.989 176.145 174.990 0.277 0.000 1.267 302 C CA -0.402 58.632 59.018 0.026 0.000 1.618 302 C CB -0.705 27.060 27.740 0.041 0.000 2.278 302 C HN 0.435 nan 8.230 nan 0.000 0.499 303 Y N 2.667 123.074 120.300 0.179 0.000 2.461 303 Y HA 0.250 4.800 4.550 0.001 0.000 0.277 303 Y C 1.001 176.999 175.900 0.164 0.000 1.182 303 Y CA -0.362 57.867 58.100 0.215 0.000 1.276 303 Y CB 0.246 38.885 38.460 0.299 0.000 1.087 303 Y HN 0.638 nan 8.280 nan 0.000 0.519 304 D N 0.143 120.691 120.400 0.245 0.000 2.763 304 D HA 0.137 4.777 4.640 0.001 0.000 0.235 304 D C 0.126 176.498 176.300 0.120 0.000 1.334 304 D CA -0.180 53.922 54.000 0.171 0.000 0.950 304 D CB 2.462 43.352 40.800 0.149 0.000 1.433 304 D HN -0.086 nan 8.370 nan 0.000 0.580 305 V N 3.130 123.098 119.914 0.091 0.000 3.510 305 V HA 0.018 4.139 4.120 0.001 0.000 0.270 305 V C 1.049 177.196 176.094 0.088 0.000 1.201 305 V CA 0.531 62.868 62.300 0.060 0.000 1.166 305 V CB -0.711 31.110 31.823 -0.003 0.000 0.825 305 V HN 0.475 nan 8.190 nan 0.000 0.484 306 N N 1.158 119.925 118.700 0.111 0.000 2.671 306 N HA 0.134 4.874 4.740 0.001 0.000 0.303 306 N C 0.124 175.763 175.510 0.215 0.000 1.351 306 N CA 0.132 53.273 53.050 0.151 0.000 0.991 306 N CB 0.578 39.134 38.487 0.116 0.000 1.307 306 N HN 0.357 nan 8.380 nan 0.000 0.512 307 D N 0.304 120.826 120.400 0.202 0.000 2.740 307 D HA 0.014 4.654 4.640 0.001 0.000 0.301 307 D C 1.588 177.911 176.300 0.038 0.000 1.408 307 D CA -0.477 53.585 54.000 0.103 0.000 0.808 307 D CB 0.130 40.949 40.800 0.031 0.000 1.128 307 D HN 0.209 nan 8.370 nan 0.000 0.465 308 W N 1.094 122.396 121.300 0.003 0.000 2.200 308 W HA -0.357 4.303 4.660 0.001 0.000 0.328 308 W C 1.284 177.801 176.519 -0.002 0.000 1.343 308 W CA 0.894 58.238 57.345 -0.001 0.000 1.379 308 W CB -1.305 28.154 29.460 -0.003 0.000 1.102 308 W HN 0.147 nan 8.180 nan 0.000 0.501 309 Q N 0.567 119.884 119.800 -0.805 0.000 1.935 309 Q HA -0.305 4.035 4.340 0.001 0.000 0.212 309 Q C 2.491 178.318 176.000 -0.289 0.000 1.008 309 Q CA 2.818 58.197 55.803 -0.706 0.000 0.868 309 Q CB -0.984 27.282 28.738 -0.786 0.000 0.946 309 Q HN 0.508 nan 8.270 nan 0.000 0.418 310 M N 0.584 120.049 119.600 -0.226 0.000 2.103 310 M HA -0.266 4.215 4.480 0.001 0.000 0.255 310 M C 2.123 178.385 176.300 -0.064 0.000 1.074 310 M CA 1.653 56.879 55.300 -0.123 0.000 1.090 310 M CB -0.216 32.325 32.600 -0.097 0.000 1.325 310 M HN 0.205 nan 8.290 nan 0.000 0.403 311 L N -0.026 121.179 121.223 -0.030 0.000 1.944 311 L HA -0.292 4.048 4.340 0.001 0.000 0.218 311 L C 2.486 179.369 176.870 0.021 0.000 1.075 311 L CA 2.080 56.932 54.840 0.020 0.000 0.767 311 L CB -1.117 40.984 42.059 0.070 0.000 0.890 311 L HN 0.391 nan 8.230 nan 0.000 0.434 312 E N 0.183 120.404 120.200 0.035 0.000 2.119 312 E HA -0.328 4.023 4.350 0.001 0.000 0.221 312 E C 2.139 178.744 176.600 0.007 0.000 1.062 312 E CA 2.225 58.649 56.400 0.038 0.000 0.894 312 E CB -0.343 29.383 29.700 0.043 0.000 0.785 312 E HN 0.190 nan 8.360 nan 0.000 0.472 313 M N -0.488 119.097 119.600 -0.025 0.000 2.146 313 M HA -0.262 4.219 4.480 0.001 0.000 0.251 313 M C 2.431 178.731 176.300 -0.000 0.000 1.083 313 M CA 1.639 56.924 55.300 -0.026 0.000 1.076 313 M CB -1.075 31.495 32.600 -0.050 0.000 1.332 313 M HN 0.281 nan 8.290 nan 0.000 0.400 314 L N -1.107 120.122 121.223 0.011 0.000 2.156 314 L HA -0.182 4.159 4.340 0.001 0.000 0.208 314 L C 2.452 179.341 176.870 0.032 0.000 1.095 314 L CA 0.748 55.607 54.840 0.031 0.000 0.770 314 L CB -0.566 41.516 42.059 0.039 0.000 0.914 314 L HN 0.299 nan 8.230 nan 0.000 0.439 315 K N 0.411 120.826 120.400 0.025 0.000 2.015 315 K HA -0.221 4.100 4.320 0.001 0.000 0.220 315 K C -0.346 176.264 176.600 0.017 0.000 1.055 315 K CA 2.264 58.562 56.287 0.019 0.000 0.951 315 K CB -1.406 31.103 32.500 0.015 0.000 0.725 315 K HN 0.289 nan 8.250 nan 0.000 0.449 316 P HA -0.207 nan 4.420 nan 0.000 0.218 316 P C 1.665 178.981 177.300 0.026 0.000 1.146 316 P CA 1.292 64.400 63.100 0.015 0.000 0.813 316 P CB -0.150 31.558 31.700 0.013 0.000 0.778 317 C N -0.096 119.225 119.300 0.036 0.000 2.473 317 C HA -0.096 4.365 4.460 0.001 0.000 0.279 317 C C 2.804 177.835 174.990 0.068 0.000 1.250 317 C CA 0.845 59.895 59.018 0.053 0.000 1.713 317 C CB -1.395 26.384 27.740 0.065 0.000 2.066 317 C HN 0.072 nan 8.230 nan 0.000 0.474 318 V N 1.380 121.335 119.914 0.069 0.000 2.250 318 V HA -0.284 3.836 4.120 0.001 0.000 0.250 318 V C 2.439 178.589 176.094 0.093 0.000 1.060 318 V CA 2.604 64.954 62.300 0.084 0.000 1.030 318 V CB -1.111 30.750 31.823 0.063 0.000 0.643 318 V HN 0.613 nan 8.190 nan 0.000 0.445 319 E N -0.400 119.832 120.200 0.053 0.000 2.284 319 E HA -0.321 4.029 4.350 0.001 0.000 0.200 319 E C 1.875 178.541 176.600 0.110 0.000 1.008 319 E CA 1.552 57.980 56.400 0.047 0.000 0.829 319 E CB -0.229 29.467 29.700 -0.007 0.000 0.744 319 E HN 0.693 nan 8.360 nan 0.000 0.491 320 D N -0.450 120.003 120.400 0.088 0.000 2.103 320 D HA -0.070 4.570 4.640 0.001 0.000 0.199 320 D C 1.921 178.276 176.300 0.092 0.000 0.978 320 D CA 1.363 55.408 54.000 0.075 0.000 0.829 320 D CB -0.201 40.627 40.800 0.047 0.000 0.981 320 D HN 0.173 nan 8.370 nan 0.000 0.464 321 G N -1.028 107.841 108.800 0.116 0.000 2.920 321 G HA2 -0.155 3.805 3.960 0.001 0.000 0.208 321 G HA3 -0.155 3.805 3.960 0.001 0.000 0.208 321 G C 1.125 176.093 174.900 0.113 0.000 1.159 321 G CA -0.154 45.009 45.100 0.104 0.000 0.784 321 G HN 0.279 nan 8.290 nan 0.000 0.535 322 F N 1.924 121.879 119.950 0.008 0.000 2.271 322 F HA -0.182 4.345 4.527 0.001 0.000 0.302 322 F C 2.114 177.908 175.800 -0.010 0.000 1.063 322 F CA 1.152 59.153 58.000 0.003 0.000 1.362 322 F CB 0.090 39.090 39.000 -0.001 0.000 1.060 322 F HN 0.044 nan 8.300 nan 0.000 0.521 323 V N 0.140 119.928 119.914 -0.210 0.000 3.217 323 V HA -0.041 4.079 4.120 0.001 0.000 0.264 323 V C 1.319 177.266 176.094 -0.245 0.000 1.135 323 V CA 0.587 62.698 62.300 -0.315 0.000 1.142 323 V CB -0.706 30.997 31.823 -0.201 0.000 0.754 323 V HN 0.114 nan 8.190 nan 0.000 0.484 324 I N -0.137 120.345 120.570 -0.147 0.000 2.707 324 I HA 0.426 4.596 4.170 0.001 0.000 0.309 324 I C 0.564 176.642 176.117 -0.066 0.000 1.001 324 I CA -0.183 61.071 61.300 -0.078 0.000 1.129 324 I CB 1.987 39.989 38.000 0.003 0.000 1.308 324 I HN 0.025 nan 8.210 nan 0.000 0.466 325 Q N 2.465 122.243 119.800 -0.037 0.000 1.882 325 Q HA 0.142 4.482 4.340 0.001 0.000 0.188 325 Q C -1.867 174.137 176.000 0.007 0.000 0.795 325 Q CA -0.196 55.597 55.803 -0.017 0.000 0.932 325 Q CB 0.509 29.216 28.738 -0.052 0.000 1.239 325 Q HN 0.751 nan 8.270 nan 0.000 0.406 326 D N -2.688 117.722 120.400 0.016 0.000 2.663 326 D HA 0.139 4.779 4.640 0.001 0.000 0.233 326 D C 0.092 176.412 176.300 0.033 0.000 1.240 326 D CA -0.681 53.333 54.000 0.023 0.000 0.774 326 D CB 0.501 41.310 40.800 0.014 0.000 1.443 326 D HN -0.012 nan 8.370 nan 0.000 0.441 327 R N 0.437 120.958 120.500 0.034 0.000 2.154 327 R HA -0.201 4.140 4.340 0.001 0.000 0.248 327 R C 1.303 177.624 176.300 0.036 0.000 1.155 327 R CA 2.049 58.171 56.100 0.037 0.000 0.979 327 R CB 0.102 30.420 30.300 0.030 0.000 0.869 327 R HN 0.591 nan 8.270 nan 0.000 0.452 328 E N -1.014 119.205 120.200 0.031 0.000 1.998 328 E HA -0.156 4.195 4.350 0.001 0.000 0.196 328 E C 1.929 178.554 176.600 0.043 0.000 1.003 328 E CA 2.008 58.428 56.400 0.033 0.000 0.829 328 E CB -0.185 29.530 29.700 0.025 0.000 0.777 328 E HN 0.350 nan 8.360 nan 0.000 0.460 329 T N 1.496 116.073 114.554 0.039 0.000 2.699 329 T HA -0.245 4.105 4.350 0.001 0.000 0.268 329 T C 1.951 176.702 174.700 0.086 0.000 1.036 329 T CA 1.307 63.438 62.100 0.051 0.000 1.147 329 T CB -0.455 68.427 68.868 0.023 0.000 0.862 329 T HN 0.294 nan 8.240 nan 0.000 0.446 330 A N 1.678 124.545 122.820 0.077 0.000 1.859 330 A HA -0.142 4.179 4.320 0.001 0.000 0.218 330 A C 2.198 179.839 177.584 0.096 0.000 1.209 330 A CA 1.808 53.904 52.037 0.098 0.000 0.639 330 A CB -1.106 17.941 19.000 0.078 0.000 0.835 330 A HN 0.396 nan 8.150 nan 0.000 0.450 331 L N -0.086 121.175 121.223 0.063 0.000 2.191 331 L HA -0.149 4.191 4.340 0.001 0.000 0.212 331 L C 2.051 178.956 176.870 0.058 0.000 1.103 331 L CA 2.150 57.016 54.840 0.044 0.000 0.769 331 L CB -0.819 41.260 42.059 0.033 0.000 0.908 331 L HN 0.632 nan 8.230 nan 0.000 0.438 332 D N -0.585 119.868 120.400 0.087 0.000 2.084 332 D HA -0.260 4.380 4.640 0.001 0.000 0.196 332 D C 1.148 177.541 176.300 0.156 0.000 0.985 332 D CA 0.608 54.673 54.000 0.108 0.000 0.826 332 D CB -0.065 40.798 40.800 0.106 0.000 0.978 332 D HN 0.133 nan 8.370 nan 0.000 0.456 333 F N 1.321 121.283 119.950 0.020 0.000 2.651 333 F HA 0.291 4.819 4.527 0.001 0.000 0.367 333 F C -0.505 175.307 175.800 0.020 0.000 1.225 333 F CA 0.018 58.029 58.000 0.020 0.000 1.310 333 F CB -0.663 38.345 39.000 0.014 0.000 1.724 333 F HN 0.029 nan 8.300 nan 0.000 0.662 334 I N 2.885 123.344 120.570 -0.185 0.000 2.775 334 I HA 0.248 4.418 4.170 0.001 0.000 0.275 334 I C 0.041 176.100 176.117 -0.096 0.000 1.690 334 I CA -0.341 60.819 61.300 -0.232 0.000 0.789 334 I CB 0.294 38.205 38.000 -0.149 0.000 1.701 334 I HN 0.397 nan 8.210 nan 0.000 0.542 346 E N 0.082 120.307 120.200 0.042 0.000 4.807 346 E HA -0.420 3.931 4.350 0.001 0.000 0.171 346 E C 1.233 177.860 176.600 0.045 0.000 1.266 346 E CA 2.402 58.825 56.400 0.039 0.000 2.327 346 E CB -1.012 28.706 29.700 0.029 0.000 1.829 346 E HN 0.675 nan 8.360 nan 0.000 0.414 347 K N 1.338 121.762 120.400 0.041 0.000 2.009 347 K HA -0.201 4.120 4.320 0.001 0.000 0.210 347 K C 2.159 178.801 176.600 0.069 0.000 1.049 347 K CA 2.118 58.428 56.287 0.039 0.000 0.929 347 K CB -0.477 32.036 32.500 0.021 0.000 0.714 347 K HN 0.367 nan 8.250 nan 0.000 0.440 348 R N 1.151 121.704 120.500 0.088 0.000 2.115 348 R HA 0.023 4.363 4.340 0.001 0.000 0.230 348 R C 2.327 178.710 176.300 0.139 0.000 1.111 348 R CA 1.347 57.533 56.100 0.145 0.000 0.976 348 R CB -0.861 29.520 30.300 0.135 0.000 0.870 348 R HN 0.190 nan 8.270 nan 0.000 0.445 349 I N 1.088 121.715 120.570 0.095 0.000 2.423 349 I HA -0.258 3.913 4.170 0.001 0.000 0.254 349 I C 2.495 178.661 176.117 0.080 0.000 1.151 349 I CA 1.249 62.595 61.300 0.077 0.000 1.421 349 I CB -0.245 37.790 38.000 0.058 0.000 1.079 349 I HN 0.264 nan 8.210 nan 0.000 0.431 350 Q N 0.263 120.122 119.800 0.098 0.000 2.036 350 Q HA -0.208 4.132 4.340 0.001 0.000 0.195 350 Q C 2.123 178.214 176.000 0.152 0.000 0.971 350 Q CA 1.423 57.285 55.803 0.100 0.000 0.826 350 Q CB -0.599 28.190 28.738 0.085 0.000 0.896 350 Q HN 0.424 nan 8.270 nan 0.000 0.449 351 Y N 0.633 120.947 120.300 0.023 0.000 2.181 351 Y HA -0.365 4.186 4.550 0.001 0.000 0.279 351 Y C 1.871 177.785 175.900 0.023 0.000 1.228 351 Y CA 1.892 60.007 58.100 0.025 0.000 1.164 351 Y CB -0.960 37.519 38.460 0.031 0.000 0.959 351 Y HN 0.197 nan 8.280 nan 0.000 0.521 352 A N -0.173 122.661 122.820 0.024 0.000 1.854 352 A HA -0.155 4.165 4.320 0.001 0.000 0.214 352 A C 2.350 179.914 177.584 -0.033 0.000 1.192 352 A CA 1.610 53.597 52.037 -0.084 0.000 0.611 352 A CB -0.612 18.364 19.000 -0.041 0.000 0.832 352 A HN 0.467 nan 8.150 nan 0.000 0.442 353 K N -0.100 120.307 120.400 0.012 0.000 2.032 353 K HA -0.230 4.090 4.320 0.001 0.000 0.218 353 K C 1.738 178.346 176.600 0.013 0.000 1.054 353 K CA 1.935 58.230 56.287 0.013 0.000 0.941 353 K CB -0.444 32.074 32.500 0.030 0.000 0.720 353 K HN 0.507 nan 8.250 nan 0.000 0.449 354 D N 0.732 121.152 120.400 0.034 0.000 2.106 354 D HA -0.193 4.447 4.640 0.001 0.000 0.191 354 D C 1.991 178.297 176.300 0.010 0.000 0.997 354 D CA 1.371 55.392 54.000 0.035 0.000 0.834 354 D CB -0.360 40.481 40.800 0.069 0.000 0.956 354 D HN 0.245 nan 8.370 nan 0.000 0.448 355 I N 0.781 121.335 120.570 -0.027 0.000 2.315 355 I HA -0.237 3.933 4.170 0.001 0.000 0.251 355 I C 2.173 178.308 176.117 0.029 0.000 1.125 355 I CA 0.713 61.978 61.300 -0.058 0.000 1.392 355 I CB -0.142 37.754 38.000 -0.173 0.000 1.065 355 I HN -0.028 nan 8.210 nan 0.000 0.424 356 L N -0.314 120.920 121.223 0.018 0.000 2.591 356 L HA -0.018 4.323 4.340 0.001 0.000 0.228 356 L C 2.019 178.891 176.870 0.004 0.000 1.133 356 L CA 0.408 55.255 54.840 0.012 0.000 0.880 356 L CB -0.087 41.922 42.059 -0.084 0.000 1.033 356 L HN 0.323 nan 8.230 nan 0.000 0.450 357 Q N -1.098 118.721 119.800 0.032 0.000 2.580 357 Q HA 0.064 4.404 4.340 0.001 0.000 0.239 357 Q C 1.610 177.637 176.000 0.046 0.000 0.873 357 Q CA 0.173 55.995 55.803 0.031 0.000 0.951 357 Q CB 0.570 29.322 28.738 0.024 0.000 1.172 357 Q HN 0.257 nan 8.270 nan 0.000 0.616 358 K N 0.114 120.542 120.400 0.046 0.000 2.334 358 K HA 0.062 4.382 4.320 0.001 0.000 0.195 358 K C 1.242 177.896 176.600 0.090 0.000 1.045 358 K CA 0.578 56.898 56.287 0.055 0.000 1.004 358 K CB 0.631 33.159 32.500 0.046 0.000 0.837 358 K HN 0.070 nan 8.250 nan 0.000 0.510 359 E N -0.187 120.054 120.200 0.069 0.000 2.399 359 E HA 0.051 4.402 4.350 0.001 0.000 0.205 359 E C -0.063 176.611 176.600 0.123 0.000 0.906 359 E CA -0.127 56.307 56.400 0.057 0.000 0.998 359 E CB 0.294 29.945 29.700 -0.081 0.000 1.002 359 E HN 0.089 nan 8.360 nan 0.000 0.501 360 F N 2.469 122.423 119.950 0.007 0.000 2.445 360 F HA 0.133 4.660 4.527 0.001 0.000 0.359 360 F C 0.797 176.629 175.800 0.054 0.000 1.101 360 F CA -0.806 57.210 58.000 0.027 0.000 1.177 360 F CB 0.550 39.554 39.000 0.008 0.000 1.110 360 F HN -0.147 nan 8.300 nan 0.000 0.522 361 L N 8.970 130.224 121.223 0.052 0.000 3.941 361 L HA -0.232 4.108 4.340 0.001 0.000 0.455 361 L C -1.516 175.489 176.870 0.225 0.000 1.179 361 L CA 0.203 55.170 54.840 0.211 0.000 0.782 361 L CB -1.077 41.222 42.059 0.400 0.000 1.679 361 L HN 0.577 nan 8.230 nan 0.000 0.871 362 P HA -0.235 nan 4.420 nan 0.000 0.218 362 P C 0.897 178.254 177.300 0.094 0.000 1.147 362 P CA 2.063 65.245 63.100 0.135 0.000 0.827 362 P CB -0.451 31.347 31.700 0.164 0.000 0.778 363 H N -0.511 118.562 119.070 0.004 0.000 2.211 363 H HA 0.120 4.676 4.556 0.001 0.000 0.327 363 H C 1.701 176.979 175.328 -0.082 0.000 1.722 363 H CA -0.262 55.765 56.048 -0.034 0.000 1.437 363 H CB -0.266 29.480 29.762 -0.027 0.000 1.716 363 H HN -0.141 nan 8.280 nan 0.000 0.618 364 I N -0.983 119.232 120.570 -0.593 0.000 3.261 364 I HA -0.448 3.723 4.170 0.001 0.000 0.205 364 I C 0.506 176.429 176.117 -0.325 0.000 0.732 364 I CA 2.589 63.623 61.300 -0.444 0.000 1.186 364 I CB -1.242 36.426 38.000 -0.553 0.000 0.956 364 I HN 0.709 nan 8.210 nan 0.000 0.336 365 T N -1.788 112.587 114.554 -0.299 0.000 3.168 365 T HA 0.223 4.574 4.350 0.001 0.000 0.373 365 T C -0.346 174.249 174.700 -0.175 0.000 1.681 365 T CA -0.604 61.308 62.100 -0.313 0.000 1.135 365 T CB 1.713 70.179 68.868 -0.669 0.000 1.477 365 T HN 0.221 nan 8.240 nan 0.000 0.480 366 Q N 1.753 121.478 119.800 -0.125 0.000 2.246 366 Q HA 0.353 4.694 4.340 0.001 0.000 0.222 366 Q C 1.530 177.510 176.000 -0.034 0.000 0.851 366 Q CA -0.135 55.638 55.803 -0.050 0.000 0.945 366 Q CB 0.514 29.230 28.738 -0.036 0.000 1.122 366 Q HN 0.568 nan 8.270 nan 0.000 0.508 367 L N 0.582 121.767 121.223 -0.063 0.000 1.938 367 L HA -0.211 4.129 4.340 0.001 0.000 0.244 367 L C 1.618 178.526 176.870 0.064 0.000 1.070 367 L CA 1.629 56.469 54.840 0.000 0.000 0.916 367 L CB -0.301 41.760 42.059 0.003 0.000 0.927 367 L HN 0.213 nan 8.230 nan 0.000 0.437 368 E N -1.763 118.531 120.200 0.156 0.000 3.875 368 E HA 0.083 4.433 4.350 0.001 0.000 0.239 368 E C 1.175 177.895 176.600 0.200 0.000 1.293 368 E CA 0.401 56.887 56.400 0.143 0.000 1.646 368 E CB 0.097 29.850 29.700 0.089 0.000 1.954 368 E HN 0.470 nan 8.360 nan 0.000 0.686 369 G N 0.973 109.879 108.800 0.177 0.000 3.211 369 G HA2 0.001 3.961 3.960 0.001 0.000 0.235 369 G HA3 0.001 3.961 3.960 0.001 0.000 0.235 369 G C -0.305 174.455 174.900 -0.234 0.000 1.032 369 G CA 0.485 45.575 45.100 -0.016 0.000 1.819 369 G HN 0.060 nan 8.290 nan 0.000 0.590 370 F N -0.858 119.080 119.950 -0.020 0.000 2.777 370 F HA 0.289 4.816 4.527 0.001 0.000 0.361 370 F C 1.211 176.999 175.800 -0.021 0.000 1.254 370 F CA -0.669 57.318 58.000 -0.022 0.000 1.181 370 F CB 0.903 39.884 39.000 -0.031 0.000 1.082 370 F HN 0.065 nan 8.300 nan 0.000 0.510 371 E N 0.250 120.496 120.200 0.078 0.000 2.160 371 E HA -0.174 4.177 4.350 0.001 0.000 0.195 371 E C 2.305 178.943 176.600 0.063 0.000 0.991 371 E CA 1.786 58.206 56.400 0.033 0.000 0.810 371 E CB -0.297 29.407 29.700 0.007 0.000 0.742 371 E HN 0.364 nan 8.360 nan 0.000 0.466 372 S N -0.210 115.542 115.700 0.086 0.000 2.414 372 S HA -0.038 4.432 4.470 0.001 0.000 0.227 372 S C 2.012 176.773 174.600 0.268 0.000 1.022 372 S CA 0.592 58.899 58.200 0.179 0.000 0.958 372 S CB -0.051 63.246 63.200 0.162 0.000 0.797 372 S HN 0.068 nan 8.310 nan 0.000 0.493 373 R N 1.226 121.833 120.500 0.178 0.000 2.115 373 R HA 0.149 4.489 4.340 0.001 0.000 0.226 373 R C 2.329 178.782 176.300 0.255 0.000 1.100 373 R CA 1.101 57.305 56.100 0.174 0.000 0.980 373 R CB -0.064 30.358 30.300 0.203 0.000 0.875 373 R HN 0.409 nan 8.270 nan 0.000 0.445 374 K N -0.406 120.118 120.400 0.207 0.000 2.062 374 K HA -0.016 4.305 4.320 0.001 0.000 0.205 374 K C 2.027 178.810 176.600 0.305 0.000 1.051 374 K CA 1.089 57.503 56.287 0.212 0.000 0.941 374 K CB -0.013 32.499 32.500 0.021 0.000 0.719 374 K HN 0.120 nan 8.250 nan 0.000 0.440 375 A N 1.075 124.028 122.820 0.222 0.000 1.865 375 A HA -0.165 4.156 4.320 0.001 0.000 0.217 375 A C 1.893 179.733 177.584 0.426 0.000 1.191 375 A CA 1.371 53.555 52.037 0.245 0.000 0.623 375 A CB -0.920 18.138 19.000 0.097 0.000 0.826 375 A HN 0.226 nan 8.150 nan 0.000 0.444 376 F N -1.800 118.375 119.950 0.375 0.000 2.307 376 F HA -0.137 4.390 4.527 0.001 0.000 0.301 376 F C 1.882 178.218 175.800 0.893 0.000 1.076 376 F CA 1.298 59.665 58.000 0.611 0.000 1.383 376 F CB -0.335 38.832 39.000 0.279 0.000 1.055 376 F HN 0.321 nan 8.300 nan 0.000 0.526 377 F N -0.426 119.958 119.950 0.723 0.000 2.147 377 F HA -0.060 4.467 4.527 0.001 0.000 0.291 377 F C 2.185 178.283 175.800 0.496 0.000 1.093 377 F CA 0.697 59.089 58.000 0.654 0.000 1.263 377 F CB -0.763 38.544 39.000 0.512 0.000 1.036 377 F HN -0.132 nan 8.300 nan 0.000 0.481 378 L N 0.538 122.072 121.223 0.520 0.000 2.263 378 L HA -0.076 4.264 4.340 0.001 0.000 0.216 378 L C 2.042 179.045 176.870 0.221 0.000 1.111 378 L CA 2.098 57.092 54.840 0.258 0.000 0.773 378 L CB -1.609 40.502 42.059 0.087 0.000 0.906 378 L HN 0.202 nan 8.230 nan 0.000 0.439 379 G N -1.801 107.262 108.800 0.438 0.000 2.404 379 G HA2 -0.323 3.638 3.960 0.001 0.000 0.213 379 G HA3 -0.323 3.638 3.960 0.001 0.000 0.213 379 G C 1.468 176.582 174.900 0.357 0.000 1.189 379 G CA 0.558 45.961 45.100 0.506 0.000 0.796 379 G HN 0.490 nan 8.290 nan 0.000 0.532 380 Y N 0.924 121.378 120.300 0.257 0.000 2.365 380 Y HA -0.065 4.485 4.550 0.001 0.000 0.287 380 Y C 2.582 178.388 175.900 -0.156 0.000 1.162 380 Y CA 1.295 59.392 58.100 -0.004 0.000 1.260 380 Y CB -0.081 38.247 38.460 -0.219 0.000 0.976 380 Y HN 0.153 nan 8.280 nan 0.000 0.548 381 M N -1.138 118.346 119.600 -0.194 0.000 2.155 381 M HA -0.090 4.391 4.480 0.001 0.000 0.258 381 M C 2.086 178.274 176.300 -0.187 0.000 1.092 381 M CA 1.409 56.540 55.300 -0.282 0.000 1.153 381 M CB -0.292 32.207 32.600 -0.168 0.000 1.316 381 M HN 0.121 nan 8.290 nan 0.000 0.431 382 I N 0.714 121.250 120.570 -0.057 0.000 2.381 382 I HA -0.352 3.818 4.170 0.001 0.000 0.255 382 I C 1.946 178.023 176.117 -0.067 0.000 1.140 382 I CA 1.177 62.465 61.300 -0.019 0.000 1.404 382 I CB -0.855 37.195 38.000 0.082 0.000 1.075 382 I HN 0.444 nan 8.210 nan 0.000 0.433 383 N N 1.171 119.803 118.700 -0.114 0.000 2.063 383 N HA -0.169 4.571 4.740 0.001 0.000 0.192 383 N C 1.962 177.344 175.510 -0.214 0.000 1.071 383 N CA 1.309 54.252 53.050 -0.180 0.000 0.858 383 N CB -0.040 38.298 38.487 -0.248 0.000 1.050 383 N HN -0.043 nan 8.380 nan 0.000 0.434 384 R N 0.186 120.483 120.500 -0.339 0.000 2.224 384 R HA -0.238 4.103 4.340 0.001 0.000 0.255 384 R C 2.195 178.374 176.300 -0.202 0.000 1.130 384 R CA 1.552 57.457 56.100 -0.326 0.000 0.957 384 R CB -1.719 28.288 30.300 -0.487 0.000 0.907 384 R HN 0.462 nan 8.270 nan 0.000 0.446 385 L N 1.002 122.117 121.223 -0.180 0.000 1.991 385 L HA -0.240 4.100 4.340 0.001 0.000 0.221 385 L C 2.421 179.259 176.870 -0.054 0.000 1.079 385 L CA 1.879 56.660 54.840 -0.098 0.000 0.778 385 L CB -0.538 41.476 42.059 -0.075 0.000 0.893 385 L HN 0.163 nan 8.230 nan 0.000 0.437 386 L N -1.777 119.402 121.223 -0.073 0.000 2.005 386 L HA -0.234 4.106 4.340 0.001 0.000 0.207 386 L C 2.502 179.334 176.870 -0.063 0.000 1.072 386 L CA 1.002 55.800 54.840 -0.069 0.000 0.744 386 L CB -0.746 41.267 42.059 -0.077 0.000 0.895 386 L HN 0.249 nan 8.230 nan 0.000 0.433 387 L N -0.393 120.780 121.223 -0.083 0.000 2.171 387 L HA -0.351 3.989 4.340 0.001 0.000 0.216 387 L C 2.709 179.557 176.870 -0.038 0.000 1.084 387 L CA 1.784 56.581 54.840 -0.071 0.000 0.771 387 L CB -0.925 41.081 42.059 -0.088 0.000 0.890 387 L HN 0.479 nan 8.230 nan 0.000 0.437 388 C N -1.225 118.068 119.300 -0.012 0.000 2.522 388 C HA 0.103 4.564 4.460 0.001 0.000 0.280 388 C C 2.948 178.010 174.990 0.121 0.000 1.303 388 C CA 0.374 59.419 59.018 0.044 0.000 1.709 388 C CB -0.985 26.786 27.740 0.051 0.000 2.071 388 C HN 0.565 nan 8.230 nan 0.000 0.492 389 A N 0.092 122.988 122.820 0.126 0.000 2.234 389 A HA 0.069 4.389 4.320 0.001 0.000 0.216 389 A C 1.418 178.977 177.584 -0.042 0.000 1.167 389 A CA 1.183 53.205 52.037 -0.025 0.000 0.698 389 A CB -0.566 18.293 19.000 -0.235 0.000 0.779 389 A HN 0.727 nan 8.150 nan 0.000 0.475 390 L N -0.731 120.475 121.223 -0.029 0.000 3.141 390 L HA 0.198 4.538 4.340 0.001 0.000 0.267 390 L C -0.829 176.022 176.870 -0.031 0.000 1.281 390 L CA -0.522 54.285 54.840 -0.056 0.000 1.037 390 L CB -0.378 41.625 42.059 -0.093 0.000 1.407 390 L HN 0.135 nan 8.230 nan 0.000 0.566 391 D N 1.520 121.922 120.400 0.005 0.000 2.916 391 D HA -0.218 4.422 4.640 0.001 0.000 0.211 391 D C 1.146 177.442 176.300 -0.007 0.000 1.260 391 D CA 0.749 54.754 54.000 0.009 0.000 0.711 391 D CB -0.202 40.603 40.800 0.009 0.000 0.915 391 D HN 0.403 nan 8.370 nan 0.000 0.391 392 R N -0.102 120.391 120.500 -0.011 0.000 2.412 392 R HA 0.157 4.498 4.340 0.001 0.000 0.212 392 R C 0.193 176.487 176.300 -0.010 0.000 0.878 392 R CA 0.007 56.098 56.100 -0.015 0.000 1.022 392 R CB 0.743 31.027 30.300 -0.028 0.000 1.265 392 R HN -0.087 nan 8.270 nan 0.000 0.620 393 K N 1.679 122.071 120.400 -0.013 0.000 2.541 393 K HA 0.215 4.535 4.320 0.001 0.000 0.250 393 K C -1.256 175.336 176.600 -0.012 0.000 0.950 393 K CA -0.452 55.826 56.287 -0.015 0.000 0.805 393 K CB 2.092 34.571 32.500 -0.035 0.000 1.166 393 K HN 0.022 nan 8.250 nan 0.000 0.430 394 D N 1.685 122.084 120.400 -0.002 0.000 2.341 394 D HA -0.120 4.521 4.640 0.001 0.000 0.235 394 D C 0.622 176.920 176.300 -0.003 0.000 1.265 394 D CA 0.570 54.572 54.000 0.003 0.000 0.888 394 D CB 0.841 41.653 40.800 0.019 0.000 1.192 394 D HN 0.366 nan 8.370 nan 0.000 0.462 395 Q N 0.396 120.199 119.800 0.006 0.000 2.454 395 Q HA -0.010 4.331 4.340 0.001 0.000 0.247 395 Q C -0.518 175.529 176.000 0.079 0.000 1.028 395 Q CA -0.262 55.560 55.803 0.033 0.000 0.910 395 Q CB 0.757 29.525 28.738 0.050 0.000 1.276 395 Q HN 0.280 nan 8.270 nan 0.000 0.489 396 D N 1.774 122.250 120.400 0.126 0.000 2.345 396 D HA 0.028 4.668 4.640 0.001 0.000 0.247 396 D C -0.885 175.561 176.300 0.243 0.000 1.108 396 D CA 0.139 54.221 54.000 0.136 0.000 0.894 396 D CB 0.836 41.641 40.800 0.009 0.000 1.203 396 D HN 0.510 nan 8.370 nan 0.000 0.430 397 D N 1.925 122.425 120.400 0.168 0.000 2.317 397 D HA 0.048 4.689 4.640 0.001 0.000 0.252 397 D C 0.702 177.080 176.300 0.130 0.000 1.174 397 D CA -0.237 53.852 54.000 0.148 0.000 0.866 397 D CB 0.741 41.642 40.800 0.168 0.000 1.127 397 D HN 0.252 nan 8.370 nan 0.000 0.467 398 R N 2.022 122.575 120.500 0.089 0.000 2.299 398 R HA 0.015 4.355 4.340 0.001 0.000 0.197 398 R C -0.082 176.222 176.300 0.007 0.000 0.971 398 R CA 0.478 56.616 56.100 0.063 0.000 1.030 398 R CB 0.486 30.784 30.300 -0.003 0.000 0.932 398 R HN 0.386 nan 8.270 nan 0.000 0.477 399 D N -0.366 120.000 120.400 -0.058 0.000 2.772 399 D HA 0.006 4.647 4.640 0.001 0.000 0.272 399 D C -0.548 175.415 176.300 -0.562 0.000 1.314 399 D CA -0.032 53.857 54.000 -0.186 0.000 0.835 399 D CB 0.246 40.980 40.800 -0.109 0.000 1.080 399 D HN 0.102 nan 8.370 nan 0.000 0.482 400 H N 1.052 119.886 119.070 -0.393 0.000 2.741 400 H HA 0.048 4.604 4.556 0.001 0.000 0.282 400 H C 0.809 176.058 175.328 -0.132 0.000 1.122 400 H CA -0.734 55.099 56.048 -0.359 0.000 1.293 400 H CB 0.052 29.735 29.762 -0.131 0.000 1.415 400 H HN -0.081 nan 8.280 nan 0.000 0.472 401 F N 3.985 123.843 119.950 -0.153 0.000 2.135 401 F HA -0.220 4.307 4.527 0.001 0.000 0.300 401 F C 2.366 178.203 175.800 0.061 0.000 1.074 401 F CA 2.086 60.058 58.000 -0.045 0.000 1.262 401 F CB -0.707 38.265 39.000 -0.046 0.000 1.013 401 F HN 0.723 nan 8.300 nan 0.000 0.489 402 G N -0.795 108.178 108.800 0.287 0.000 2.499 402 G HA2 -0.278 3.683 3.960 0.001 0.000 0.221 402 G HA3 -0.278 3.683 3.960 0.001 0.000 0.221 402 G C 1.442 176.235 174.900 -0.179 0.000 1.109 402 G CA 0.735 45.846 45.100 0.019 0.000 0.749 402 G HN 0.379 nan 8.290 nan 0.000 0.568 403 K N 0.128 120.429 120.400 -0.166 0.000 2.576 403 K HA 0.207 4.527 4.320 0.001 0.000 0.209 403 K C -0.142 176.357 176.600 -0.168 0.000 1.049 403 K CA -0.106 56.061 56.287 -0.199 0.000 1.140 403 K CB 0.608 33.010 32.500 -0.162 0.000 0.871 403 K HN 0.055 nan 8.250 nan 0.000 0.479 404 K N 1.337 121.601 120.400 -0.226 0.000 2.316 404 K HA 0.416 4.736 4.320 0.001 0.000 0.251 404 K C -0.396 176.015 176.600 -0.315 0.000 0.934 404 K CA -0.892 55.248 56.287 -0.246 0.000 0.802 404 K CB 2.056 34.378 32.500 -0.297 0.000 1.171 404 K HN -0.120 nan 8.250 nan 0.000 0.426 405 R N 2.539 122.913 120.500 -0.211 0.000 2.502 405 R HA 0.383 4.723 4.340 0.001 0.000 0.300 405 R C -0.408 175.821 176.300 -0.119 0.000 0.984 405 R CA -0.637 55.358 56.100 -0.175 0.000 0.882 405 R CB 0.952 31.177 30.300 -0.124 0.000 1.180 405 R HN 0.545 nan 8.270 nan 0.000 0.444 406 L N 3.653 124.806 121.223 -0.117 0.000 2.358 406 L HA 0.236 4.576 4.340 0.001 0.000 0.274 406 L C 0.062 176.913 176.870 -0.032 0.000 1.136 406 L CA -0.636 54.170 54.840 -0.058 0.000 0.970 406 L CB 0.240 42.275 42.059 -0.041 0.000 1.314 406 L HN 0.270 nan 8.230 nan 0.000 0.427 407 D N 2.046 122.434 120.400 -0.020 0.000 2.506 407 D HA 0.175 4.816 4.640 0.001 0.000 0.234 407 D C 0.012 176.315 176.300 0.005 0.000 1.143 407 D CA 0.422 54.425 54.000 0.004 0.000 0.871 407 D CB 1.944 42.754 40.800 0.016 0.000 1.190 407 D HN 0.134 nan 8.370 nan 0.000 0.459 408 L N 0.917 122.157 121.223 0.029 0.000 2.177 408 L HA 0.490 4.830 4.340 0.001 0.000 0.255 408 L C 1.480 178.384 176.870 0.057 0.000 1.065 408 L CA -0.435 54.424 54.840 0.031 0.000 0.982 408 L CB 0.609 42.691 42.059 0.039 0.000 1.559 408 L HN 0.385 nan 8.230 nan 0.000 0.492 409 A N 0.054 122.920 122.820 0.076 0.000 1.940 409 A HA -0.185 4.136 4.320 0.001 0.000 0.221 409 A C 1.739 179.401 177.584 0.129 0.000 1.190 409 A CA 2.531 54.640 52.037 0.121 0.000 0.647 409 A CB -1.649 17.471 19.000 0.199 0.000 0.821 409 A HN 0.894 nan 8.150 nan 0.000 0.457 410 G N -0.645 108.240 108.800 0.143 0.000 2.605 410 G HA2 -0.020 3.940 3.960 0.001 0.000 0.215 410 G HA3 -0.020 3.940 3.960 0.001 0.000 0.215 410 G C -0.256 174.646 174.900 0.003 0.000 1.279 410 G CA 1.008 46.160 45.100 0.087 0.000 0.831 410 G HN 0.437 nan 8.290 nan 0.000 0.560 411 P HA -0.162 nan 4.420 nan 0.000 0.219 411 P C 1.982 179.350 177.300 0.113 0.000 1.151 411 P CA 0.994 64.171 63.100 0.127 0.000 0.850 411 P CB -0.107 31.657 31.700 0.107 0.000 0.784 412 L N -1.843 119.451 121.223 0.117 0.000 1.976 412 L HA -0.181 4.159 4.340 0.001 0.000 0.209 412 L C 2.489 179.450 176.870 0.151 0.000 1.071 412 L CA 1.489 56.494 54.840 0.276 0.000 0.746 412 L CB -1.070 41.195 42.059 0.343 0.000 0.890 412 L HN -0.040 nan 8.230 nan 0.000 0.432 413 L N -0.519 120.635 121.223 -0.114 0.000 2.127 413 L HA -0.241 4.100 4.340 0.001 0.000 0.211 413 L C 2.817 179.543 176.870 -0.240 0.000 1.089 413 L CA 0.990 55.598 54.840 -0.386 0.000 0.757 413 L CB -0.850 40.704 42.059 -0.843 0.000 0.899 413 L HN 0.292 nan 8.230 nan 0.000 0.434 414 A N -0.134 122.613 122.820 -0.121 0.000 1.837 414 A HA -0.353 3.968 4.320 0.001 0.000 0.216 414 A C 2.214 179.912 177.584 0.189 0.000 1.210 414 A CA 2.136 54.358 52.037 0.309 0.000 0.632 414 A CB -0.975 18.213 19.000 0.313 0.000 0.843 414 A HN 0.456 nan 8.150 nan 0.000 0.448 415 Q N -0.788 119.087 119.800 0.125 0.000 2.182 415 Q HA -0.258 4.083 4.340 0.001 0.000 0.213 415 Q C 2.072 178.080 176.000 0.013 0.000 1.000 415 Q CA 2.068 57.924 55.803 0.089 0.000 0.889 415 Q CB -0.301 28.519 28.738 0.137 0.000 0.932 415 Q HN 0.703 nan 8.270 nan 0.000 0.415 416 L N -0.718 120.450 121.223 -0.091 0.000 1.961 416 L HA -0.186 4.155 4.340 0.001 0.000 0.209 416 L C 2.339 179.235 176.870 0.043 0.000 1.075 416 L CA 1.163 55.884 54.840 -0.200 0.000 0.749 416 L CB -0.639 41.142 42.059 -0.464 0.000 0.890 416 L HN 0.312 nan 8.230 nan 0.000 0.433 417 F N 1.154 121.077 119.950 -0.046 0.000 2.085 417 F HA -0.322 4.205 4.527 0.001 0.000 0.299 417 F C 2.457 178.307 175.800 0.083 0.000 1.096 417 F CA 1.683 59.713 58.000 0.050 0.000 1.227 417 F CB -0.532 38.578 39.000 0.183 0.000 0.983 417 F HN 0.010 nan 8.300 nan 0.000 0.482 418 K N -0.579 119.905 120.400 0.139 0.000 1.965 418 K HA -0.184 4.136 4.320 0.001 0.000 0.220 418 K C 1.800 178.406 176.600 0.011 0.000 1.046 418 K CA 2.419 58.715 56.287 0.015 0.000 0.974 418 K CB -0.948 31.565 32.500 0.022 0.000 0.738 418 K HN 0.163 nan 8.250 nan 0.000 0.444 419 T N 2.071 116.630 114.554 0.010 0.000 2.896 419 T HA -0.155 4.195 4.350 0.001 0.000 0.270 419 T C 1.699 176.392 174.700 -0.011 0.000 1.104 419 T CA 1.027 63.118 62.100 -0.014 0.000 1.115 419 T CB -0.091 68.765 68.868 -0.020 0.000 0.843 419 T HN 0.151 nan 8.240 nan 0.000 0.523 420 L N -1.010 120.240 121.223 0.045 0.000 2.269 420 L HA 0.217 4.557 4.340 0.001 0.000 0.200 420 L C 2.143 179.087 176.870 0.123 0.000 1.069 420 L CA 0.494 55.382 54.840 0.079 0.000 0.804 420 L CB -0.334 41.806 42.059 0.136 0.000 0.987 420 L HN 0.165 nan 8.230 nan 0.000 0.468 421 F N 1.582 121.501 119.950 -0.051 0.000 2.269 421 F HA -0.172 4.355 4.527 0.001 0.000 0.301 421 F C 2.178 177.871 175.800 -0.178 0.000 1.082 421 F CA 1.415 59.316 58.000 -0.164 0.000 1.360 421 F CB -0.283 38.425 39.000 -0.486 0.000 1.041 421 F HN -0.098 nan 8.300 nan 0.000 0.512 422 K N -0.039 120.171 120.400 -0.317 0.000 2.288 422 K HA -0.115 4.205 4.320 0.001 0.000 0.201 422 K C 2.024 178.474 176.600 -0.250 0.000 1.048 422 K CA 0.795 56.843 56.287 -0.399 0.000 0.956 422 K CB -0.097 32.246 32.500 -0.261 0.000 0.746 422 K HN 0.200 nan 8.250 nan 0.000 0.461 423 K N 0.744 121.064 120.400 -0.133 0.000 2.365 423 K HA -0.035 4.285 4.320 0.001 0.000 0.197 423 K C 1.803 178.372 176.600 -0.052 0.000 1.042 423 K CA 0.257 56.499 56.287 -0.075 0.000 0.987 423 K CB 0.220 32.697 32.500 -0.037 0.000 0.779 423 K HN -0.003 nan 8.250 nan 0.000 0.484 424 L N 0.214 121.402 121.223 -0.058 0.000 2.145 424 L HA 0.001 4.341 4.340 0.001 0.000 0.201 424 L C 1.816 178.654 176.870 -0.053 0.000 1.075 424 L CA 1.748 56.591 54.840 0.006 0.000 0.773 424 L CB -0.490 41.648 42.059 0.132 0.000 0.936 424 L HN -0.049 nan 8.230 nan 0.000 0.451 425 T N 0.507 114.906 114.554 -0.258 0.000 2.881 425 T HA -0.160 4.190 4.350 0.001 0.000 0.270 425 T C 1.280 175.879 174.700 -0.169 0.000 1.068 425 T CA 1.628 63.550 62.100 -0.296 0.000 1.131 425 T CB -0.256 68.227 68.868 -0.642 0.000 0.871 425 T HN 0.506 nan 8.240 nan 0.000 0.479 426 K N 0.113 120.423 120.400 -0.150 0.000 2.576 426 K HA 0.255 4.576 4.320 0.001 0.000 0.209 426 K C 0.489 177.113 176.600 0.041 0.000 1.049 426 K CA -0.007 56.219 56.287 -0.103 0.000 1.140 426 K CB 0.560 32.971 32.500 -0.148 0.000 0.871 426 K HN 0.026 nan 8.250 nan 0.000 0.479 427 D N 0.390 120.836 120.400 0.077 0.000 2.415 427 D HA 0.196 4.836 4.640 0.001 0.000 0.269 427 D C 1.557 177.956 176.300 0.165 0.000 1.099 427 D CA 0.136 54.203 54.000 0.111 0.000 0.865 427 D CB 0.508 41.350 40.800 0.070 0.000 1.359 427 D HN 0.189 nan 8.370 nan 0.000 0.506 428 I N 0.786 121.460 120.570 0.173 0.000 2.493 428 I HA -0.206 3.964 4.170 0.001 0.000 0.254 428 I C 2.088 178.387 176.117 0.303 0.000 1.160 428 I CA 0.662 62.086 61.300 0.208 0.000 1.445 428 I CB -0.080 38.056 38.000 0.227 0.000 1.086 428 I HN -0.065 nan 8.210 nan 0.000 0.433 429 F N 1.657 121.658 119.950 0.086 0.000 2.146 429 F HA -0.077 4.451 4.527 0.001 0.000 0.298 429 F C 2.353 178.205 175.800 0.087 0.000 1.096 429 F CA 1.365 59.410 58.000 0.075 0.000 1.275 429 F CB -0.273 38.750 39.000 0.039 0.000 1.008 429 F HN -0.105 nan 8.300 nan 0.000 0.480 430 R N -1.600 119.054 120.500 0.257 0.000 2.346 430 R HA -0.145 4.196 4.340 0.001 0.000 0.199 430 R C 1.081 177.481 176.300 0.166 0.000 1.015 430 R CA 0.471 56.668 56.100 0.161 0.000 1.058 430 R CB -0.417 29.972 30.300 0.147 0.000 0.921 430 R HN 0.379 nan 8.270 nan 0.000 0.475 431 Y N -0.215 120.107 120.300 0.036 0.000 2.539 431 Y HA 0.129 4.679 4.550 0.000 0.000 0.284 431 Y C 1.930 177.820 175.900 -0.016 0.000 1.134 431 Y CA 0.521 58.634 58.100 0.020 0.000 1.251 431 Y CB 0.305 38.790 38.460 0.042 0.000 1.260 431 Y HN -0.162 nan 8.280 nan 0.000 0.528 432 M N -0.119 119.517 119.600 0.060 0.000 2.123 432 M HA -0.181 4.299 4.480 0.001 0.000 0.263 432 M C 1.738 177.947 176.300 -0.151 0.000 1.069 432 M CA 1.607 56.866 55.300 -0.068 0.000 1.133 432 M CB -0.408 32.147 32.600 -0.074 0.000 1.356 432 M HN 0.154 nan 8.290 nan 0.000 0.415 433 Q N 0.198 119.887 119.800 -0.184 0.000 2.576 433 Q HA -0.115 4.226 4.340 0.001 0.000 0.218 433 Q C 1.515 177.445 176.000 -0.117 0.000 0.983 433 Q CA 0.852 56.550 55.803 -0.174 0.000 0.920 433 Q CB -0.057 28.576 28.738 -0.175 0.000 0.973 433 Q HN 0.506 nan 8.270 nan 0.000 0.528 434 R N -1.157 119.265 120.500 -0.129 0.000 2.369 434 R HA 0.094 4.434 4.340 0.001 0.000 0.210 434 R C 0.358 176.559 176.300 -0.165 0.000 0.881 434 R CA 0.120 56.144 56.100 -0.128 0.000 1.031 434 R CB 0.732 30.961 30.300 -0.119 0.000 1.184 434 R HN -0.081 nan 8.270 nan 0.000 0.581 435 T N 2.150 116.575 114.554 -0.214 0.000 3.416 435 T HA 0.018 4.368 4.350 0.001 0.000 0.247 435 T C 1.275 175.899 174.700 -0.127 0.000 0.973 435 T CA 0.088 62.062 62.100 -0.210 0.000 1.166 435 T CB 0.432 69.167 68.868 -0.223 0.000 1.040 435 T HN -0.071 nan 8.240 nan 0.000 0.746 436 V N 2.163 122.014 119.914 -0.104 0.000 3.186 436 V HA -0.089 4.032 4.120 0.001 0.000 0.270 436 V C 1.552 177.609 176.094 -0.062 0.000 1.149 436 V CA 1.170 63.426 62.300 -0.073 0.000 1.160 436 V CB -0.768 31.020 31.823 -0.059 0.000 0.758 436 V HN 0.756 nan 8.190 nan 0.000 0.516 447 A N 0.082 122.627 122.820 -0.458 0.000 3.330 447 A HA -0.157 4.163 4.320 0.001 0.000 0.248 447 A C 0.127 177.555 177.584 -0.260 0.000 1.237 447 A CA 1.391 53.007 52.037 -0.702 0.000 1.268 447 A CB -2.265 15.775 19.000 -1.600 0.000 1.128 447 A HN 0.558 nan 8.150 nan 0.000 0.922 448 I N 1.100 121.603 120.570 -0.112 0.000 2.460 448 I HA 0.194 4.364 4.170 0.001 0.000 0.277 448 I C 0.355 176.494 176.117 0.036 0.000 1.057 448 I CA -0.508 60.792 61.300 -0.000 0.000 1.179 448 I CB 1.013 39.042 38.000 0.048 0.000 1.329 448 I HN 0.335 nan 8.210 nan 0.000 0.478 449 N N 4.674 123.395 118.700 0.035 0.000 3.027 449 N HA 0.110 4.851 4.740 0.001 0.000 0.309 449 N C 1.438 176.978 175.510 0.049 0.000 1.222 449 N CA 0.170 53.253 53.050 0.054 0.000 1.187 449 N CB 0.597 39.114 38.487 0.049 0.000 1.458 449 N HN 0.679 nan 8.380 nan 0.000 0.535 450 A N 2.134 124.982 122.820 0.046 0.000 2.148 450 A HA -0.246 4.074 4.320 0.001 0.000 0.222 450 A C 2.148 179.707 177.584 -0.042 0.000 1.161 450 A CA 1.337 53.328 52.037 -0.076 0.000 0.662 450 A CB -0.514 18.318 19.000 -0.281 0.000 0.799 450 A HN 0.684 nan 8.150 nan 0.000 0.466 451 K N -0.655 119.776 120.400 0.053 0.000 2.147 451 K HA -0.139 4.181 4.320 0.001 0.000 0.205 451 K C 1.890 178.508 176.600 0.031 0.000 1.049 451 K CA 1.667 57.991 56.287 0.061 0.000 0.936 451 K CB -0.392 32.155 32.500 0.078 0.000 0.722 451 K HN 0.469 nan 8.250 nan 0.000 0.446 452 T N 2.085 116.656 114.554 0.028 0.000 2.592 452 T HA -0.242 4.108 4.350 0.001 0.000 0.267 452 T C 1.849 176.559 174.700 0.016 0.000 1.060 452 T CA 2.146 64.260 62.100 0.025 0.000 1.167 452 T CB -0.269 68.620 68.868 0.035 0.000 0.863 452 T HN 0.226 nan 8.240 nan 0.000 0.431 453 I N 0.777 121.355 120.570 0.014 0.000 2.133 453 I HA -0.173 3.998 4.170 0.001 0.000 0.238 453 I C 2.810 178.908 176.117 -0.032 0.000 1.074 453 I CA 1.324 62.626 61.300 0.003 0.000 1.342 453 I CB -1.044 36.959 38.000 0.004 0.000 1.053 453 I HN 0.276 nan 8.210 nan 0.000 0.404 454 T N 0.905 115.435 114.554 -0.040 0.000 2.649 454 T HA -0.262 4.088 4.350 0.001 0.000 0.268 454 T C 2.048 176.754 174.700 0.011 0.000 1.036 454 T CA 2.317 64.407 62.100 -0.015 0.000 1.157 454 T CB -0.509 68.377 68.868 0.029 0.000 0.861 454 T HN 0.593 nan 8.240 nan 0.000 0.445 455 S N 1.294 117.010 115.700 0.027 0.000 2.325 455 S HA 0.026 4.496 4.470 0.001 0.000 0.213 455 S C 2.432 177.064 174.600 0.053 0.000 1.031 455 S CA 1.257 59.487 58.200 0.050 0.000 0.984 455 S CB -1.467 61.769 63.200 0.060 0.000 0.939 455 S HN 0.534 nan 8.310 nan 0.000 0.438 456 G N 2.763 111.575 108.800 0.020 0.000 2.759 456 G HA2 -0.302 3.658 3.960 0.001 0.000 0.224 456 G HA3 -0.302 3.658 3.960 0.001 0.000 0.224 456 G C 1.472 176.361 174.900 -0.018 0.000 1.173 456 G CA 1.586 46.676 45.100 -0.016 0.000 0.770 456 G HN 0.507 nan 8.290 nan 0.000 0.626 457 L N -0.016 121.171 121.223 -0.061 0.000 2.013 457 L HA -0.169 4.171 4.340 0.001 0.000 0.212 457 L C 3.075 179.918 176.870 -0.045 0.000 1.073 457 L CA 1.960 56.734 54.840 -0.110 0.000 0.753 457 L CB -0.436 41.555 42.059 -0.113 0.000 0.890 457 L HN 0.278 nan 8.230 nan 0.000 0.432 458 K N -0.734 119.674 120.400 0.014 0.000 1.969 458 K HA -0.283 4.038 4.320 0.001 0.000 0.216 458 K C 2.064 178.708 176.600 0.074 0.000 1.048 458 K CA 2.143 58.453 56.287 0.038 0.000 0.948 458 K CB -0.726 31.803 32.500 0.049 0.000 0.726 458 K HN 0.131 nan 8.250 nan 0.000 0.442 459 Y N 1.242 121.535 120.300 -0.011 0.000 2.170 459 Y HA -0.429 4.122 4.550 0.001 0.000 0.274 459 Y C 2.032 177.951 175.900 0.031 0.000 1.253 459 Y CA 1.898 60.002 58.100 0.007 0.000 1.133 459 Y CB -0.229 38.229 38.460 -0.002 0.000 0.941 459 Y HN 0.223 nan 8.280 nan 0.000 0.518 460 A N -0.277 122.723 122.820 0.299 0.000 1.823 460 A HA -0.105 4.215 4.320 0.001 0.000 0.214 460 A C 1.835 179.610 177.584 0.318 0.000 1.225 460 A CA 1.489 53.713 52.037 0.311 0.000 0.604 460 A CB -1.188 17.762 19.000 -0.083 0.000 0.878 460 A HN 0.374 nan 8.150 nan 0.000 0.450 461 L N 0.014 121.353 121.223 0.194 0.000 2.556 461 L HA -0.140 4.201 4.340 0.001 0.000 0.230 461 L C 2.572 179.466 176.870 0.040 0.000 1.163 461 L CA 1.460 56.363 54.840 0.105 0.000 0.819 461 L CB -0.685 41.322 42.059 -0.087 0.000 0.939 461 L HN 0.465 nan 8.230 nan 0.000 0.452 462 A N -2.030 120.806 122.820 0.027 0.000 1.997 462 A HA 0.020 4.340 4.320 0.001 0.000 0.212 462 A C 2.137 179.687 177.584 -0.057 0.000 1.178 462 A CA 1.448 53.468 52.037 -0.029 0.000 0.698 462 A CB -0.227 18.731 19.000 -0.069 0.000 0.842 462 A HN 0.406 nan 8.150 nan 0.000 0.458 463 T N -3.066 111.455 114.554 -0.056 0.000 3.151 463 T HA 0.464 4.815 4.350 0.001 0.000 0.239 463 T C 1.485 176.186 174.700 0.002 0.000 0.979 463 T CA 1.012 63.076 62.100 -0.060 0.000 1.194 463 T CB 0.254 69.054 68.868 -0.113 0.000 0.982 463 T HN 1.253 nan 8.240 nan 0.000 0.428 464 G N 1.607 110.459 108.800 0.085 0.000 2.485 464 G HA2 -0.150 3.811 3.960 0.001 0.000 0.181 464 G HA3 -0.150 3.811 3.960 0.001 0.000 0.181 464 G C -0.132 174.858 174.900 0.149 0.000 0.999 464 G CA -0.612 44.512 45.100 0.040 0.000 0.721 464 G HN 0.489 nan 8.290 nan 0.000 0.486 465 N N 1.273 120.113 118.700 0.234 0.000 2.410 465 N HA 0.101 4.842 4.740 0.001 0.000 0.281 465 N C 0.998 176.792 175.510 0.473 0.000 1.241 465 N CA -0.277 52.951 53.050 0.297 0.000 0.998 465 N CB 0.417 39.099 38.487 0.325 0.000 1.376 465 N HN 0.537 nan 8.380 nan 0.000 0.490 466 W N 2.163 123.497 121.300 0.056 0.000 2.151 466 W HA -0.157 4.503 4.660 0.001 0.000 0.314 466 W C 2.216 178.749 176.519 0.023 0.000 1.142 466 W CA 0.473 57.839 57.345 0.034 0.000 1.127 466 W CB -0.397 29.069 29.460 0.010 0.000 1.180 466 W HN 0.548 nan 8.180 nan 0.000 0.463 467 G N 1.338 110.320 108.800 0.303 0.000 4.819 467 G HA2 -0.276 3.684 3.960 0.001 0.000 0.216 467 G HA3 -0.276 3.684 3.960 0.001 0.000 0.216 467 G C 0.058 174.972 174.900 0.023 0.000 1.067 467 G CA 1.764 46.938 45.100 0.124 0.000 0.575 467 G HN 0.588 nan 8.290 nan 0.000 0.824 468 E N -3.068 117.121 120.200 -0.019 0.000 3.171 468 E HA -0.177 4.173 4.350 0.001 0.000 0.221 468 E C 0.321 176.743 176.600 -0.297 0.000 1.355 468 E CA 1.228 57.514 56.400 -0.191 0.000 1.918 468 E CB -0.890 28.711 29.700 -0.166 0.000 2.080 468 E HN 0.638 nan 8.360 nan 0.000 0.551 469 Q N 1.010 120.594 119.800 -0.359 0.000 2.306 469 Q HA 0.821 5.162 4.340 0.001 0.000 0.269 469 Q C -0.234 175.695 176.000 -0.118 0.000 1.053 469 Q CA -0.929 54.693 55.803 -0.301 0.000 0.879 469 Q CB 2.872 31.350 28.738 -0.433 0.000 1.344 469 Q HN 0.509 nan 8.270 nan 0.000 0.464 470 K N -0.468 119.899 120.400 -0.054 0.000 7.949 470 K HA -0.037 4.283 4.320 0.001 0.000 0.288 470 K C -0.817 175.786 176.600 0.005 0.000 1.562 470 K CA -0.526 55.748 56.287 -0.021 0.000 0.942 470 K CB -0.676 31.809 32.500 -0.025 0.000 0.673 470 K HN 0.405 nan 8.250 nan 0.000 0.498 471 K N 1.231 121.634 120.400 0.005 0.000 2.965 471 K HA 0.537 4.857 4.320 0.001 0.000 0.216 471 K C -0.969 175.640 176.600 0.015 0.000 1.164 471 K CA -0.034 56.261 56.287 0.013 0.000 1.153 471 K CB 1.484 33.990 32.500 0.011 0.000 1.045 471 K HN 0.415 nan 8.250 nan 0.000 0.460 472 A N 0.418 123.249 122.820 0.018 0.000 2.520 472 A HA 0.453 4.774 4.320 0.001 0.000 0.298 472 A C 0.283 177.889 177.584 0.036 0.000 1.051 472 A CA -0.668 51.382 52.037 0.022 0.000 0.690 472 A CB 1.134 20.143 19.000 0.015 0.000 1.281 472 A HN 0.208 nan 8.150 nan 0.000 0.402 473 M N 1.308 120.931 119.600 0.039 0.000 2.394 473 M HA -0.021 4.460 4.480 0.001 0.000 0.266 473 M C 1.915 178.247 176.300 0.054 0.000 1.098 473 M CA 1.365 56.694 55.300 0.049 0.000 1.149 473 M CB -0.164 32.459 32.600 0.037 0.000 1.369 473 M HN 1.516 nan 8.290 nan 0.000 0.450 474 S N -0.143 115.584 115.700 0.044 0.000 2.309 474 S HA -0.246 4.224 4.470 0.001 0.000 0.224 474 S C 0.670 175.310 174.600 0.066 0.000 1.262 474 S CA 1.530 59.758 58.200 0.046 0.000 1.753 474 S CB -2.175 61.049 63.200 0.040 0.000 2.374 474 S HN 0.684 nan 8.310 nan 0.000 0.639 475 S N 1.541 117.292 115.700 0.083 0.000 2.671 475 S HA 0.762 5.232 4.470 0.001 0.000 0.299 475 S C -0.472 174.170 174.600 0.070 0.000 1.116 475 S CA -1.245 57.022 58.200 0.112 0.000 0.912 475 S CB 1.470 64.784 63.200 0.189 0.000 1.130 475 S HN 0.697 nan 8.310 nan 0.000 0.501 476 R N 0.722 121.247 120.500 0.043 0.000 2.242 476 R HA 0.542 4.882 4.340 0.001 0.000 0.334 476 R C -0.217 176.064 176.300 -0.031 0.000 1.071 476 R CA -0.282 55.807 56.100 -0.018 0.000 0.922 476 R CB 0.038 30.293 30.300 -0.074 0.000 1.023 476 R HN 0.691 nan 8.270 nan 0.000 0.458 477 A N 2.787 125.600 122.820 -0.013 0.000 2.807 477 A HA 0.465 4.786 4.320 0.001 0.000 0.307 477 A C 1.003 178.559 177.584 -0.045 0.000 1.532 477 A CA 0.101 52.130 52.037 -0.013 0.000 1.215 477 A CB -0.067 18.936 19.000 0.006 0.000 1.127 477 A HN 0.991 nan 8.150 nan 0.000 0.543 478 G N 0.883 109.633 108.800 -0.082 0.000 4.130 478 G HA2 0.202 4.162 3.960 0.001 0.000 0.162 478 G HA3 0.202 4.162 3.960 0.001 0.000 0.162 478 G C 0.113 174.929 174.900 -0.140 0.000 1.099 478 G CA 0.369 45.413 45.100 -0.093 0.000 0.889 478 G HN 0.675 nan 8.290 nan 0.000 0.547 479 V N 1.892 121.665 119.914 -0.236 0.000 2.843 479 V HA 0.465 4.585 4.120 0.001 0.000 0.305 479 V C 1.178 177.106 176.094 -0.276 0.000 1.065 479 V CA 0.573 62.660 62.300 -0.356 0.000 1.116 479 V CB 0.954 32.341 31.823 -0.727 0.000 0.968 479 V HN 1.412 nan 8.190 nan 0.000 0.487 480 S N 2.519 118.069 115.700 -0.250 0.000 3.432 480 S HA -0.154 4.316 4.470 0.001 0.000 0.521 480 S C -0.223 174.323 174.600 -0.090 0.000 0.696 480 S CA 0.932 59.035 58.200 -0.160 0.000 1.382 480 S CB -0.609 62.508 63.200 -0.139 0.000 0.981 480 S HN 0.900 nan 8.310 nan 0.000 0.813 481 Q N 2.140 121.905 119.800 -0.059 0.000 2.633 481 Q HA 0.752 5.092 4.340 0.001 0.000 0.208 481 Q C -0.254 175.741 176.000 -0.008 0.000 1.010 481 Q CA -1.016 54.782 55.803 -0.008 0.000 0.982 481 Q CB 0.806 29.584 28.738 0.067 0.000 1.334 481 Q HN 0.483 nan 8.270 nan 0.000 0.508 482 V N 2.024 121.947 119.914 0.015 0.000 2.333 482 V HA 0.127 4.248 4.120 0.001 0.000 0.274 482 V C -0.357 175.723 176.094 -0.024 0.000 1.028 482 V CA -0.694 61.591 62.300 -0.025 0.000 0.851 482 V CB 0.685 32.482 31.823 -0.044 0.000 1.000 482 V HN 0.507 nan 8.190 nan 0.000 0.456 483 L N 5.348 126.500 121.223 -0.118 0.000 2.822 483 L HA -0.063 4.277 4.340 0.001 0.000 0.288 483 L C 0.557 177.308 176.870 -0.199 0.000 1.182 483 L CA 0.751 55.480 54.840 -0.186 0.000 0.936 483 L CB -0.510 41.305 42.059 -0.407 0.000 1.269 483 L HN 0.667 nan 8.230 nan 0.000 0.476 484 N N 4.124 122.763 118.700 -0.101 0.000 2.412 484 N HA 0.035 4.775 4.740 0.001 0.000 0.279 484 N C 0.056 175.198 175.510 -0.612 0.000 1.287 484 N CA 0.313 52.975 53.050 -0.647 0.000 0.948 484 N CB 0.066 38.133 38.487 -0.701 0.000 1.255 484 N HN 0.376 nan 8.380 nan 0.000 0.485 485 R N 2.193 122.306 120.500 -0.646 0.000 3.534 485 R HA 0.223 4.563 4.340 0.001 0.000 0.312 485 R C 0.245 176.287 176.300 -0.430 0.000 1.419 485 R CA -0.094 55.698 56.100 -0.513 0.000 1.262 485 R CB -0.377 29.538 30.300 -0.643 0.000 1.437 485 R HN 0.677 nan 8.270 nan 0.000 0.627 486 Y N -2.159 118.017 120.300 -0.206 0.000 2.177 486 Y HA 0.154 4.704 4.550 0.001 0.000 0.291 486 Y C 0.835 176.736 175.900 0.002 0.000 1.117 486 Y CA 0.084 58.099 58.100 -0.143 0.000 1.114 486 Y CB 0.604 38.988 38.460 -0.126 0.000 1.017 486 Y HN -0.077 nan 8.280 nan 0.000 0.505 487 T N -1.589 113.090 114.554 0.209 0.000 2.903 487 T HA 0.134 4.485 4.350 0.001 0.000 0.299 487 T C -0.296 174.517 174.700 0.189 0.000 1.093 487 T CA -0.694 61.535 62.100 0.215 0.000 1.002 487 T CB 1.700 70.678 68.868 0.183 0.000 1.127 487 T HN 0.053 nan 8.240 nan 0.000 0.488 488 Y N 2.686 123.048 120.300 0.103 0.000 2.014 488 Y HA -0.245 4.305 4.550 0.001 0.000 0.270 488 Y C 2.846 178.785 175.900 0.066 0.000 1.145 488 Y CA 2.886 61.023 58.100 0.062 0.000 1.106 488 Y CB -0.780 37.675 38.460 -0.009 0.000 0.968 488 Y HN 0.756 nan 8.280 nan 0.000 0.484 489 S N -0.963 114.829 115.700 0.154 0.000 2.381 489 S HA -0.347 4.123 4.470 0.001 0.000 0.230 489 S C 2.333 176.912 174.600 -0.036 0.000 1.052 489 S CA 2.003 60.242 58.200 0.066 0.000 1.068 489 S CB -1.560 61.752 63.200 0.186 0.000 0.918 489 S HN 0.593 nan 8.310 nan 0.000 0.448 490 S N 1.542 117.250 115.700 0.014 0.000 2.365 490 S HA -0.190 4.281 4.470 0.001 0.000 0.225 490 S C 1.986 176.533 174.600 -0.088 0.000 1.039 490 S CA 2.210 60.401 58.200 -0.015 0.000 1.033 490 S CB -1.503 61.724 63.200 0.045 0.000 0.887 490 S HN 0.737 nan 8.310 nan 0.000 0.447 491 T N 3.094 117.561 114.554 -0.144 0.000 2.720 491 T HA -0.032 4.319 4.350 0.001 0.000 0.268 491 T C 1.755 176.344 174.700 -0.184 0.000 1.037 491 T CA 1.621 63.608 62.100 -0.188 0.000 1.144 491 T CB -0.491 68.234 68.868 -0.238 0.000 0.864 491 T HN 0.344 nan 8.240 nan 0.000 0.444 492 L N 0.712 121.783 121.223 -0.254 0.000 1.955 492 L HA -0.156 4.185 4.340 0.001 0.000 0.213 492 L C 2.879 179.688 176.870 -0.102 0.000 1.072 492 L CA 1.458 56.179 54.840 -0.199 0.000 0.755 492 L CB -1.067 40.860 42.059 -0.221 0.000 0.888 492 L HN 0.270 nan 8.230 nan 0.000 0.432 493 S N -1.027 114.625 115.700 -0.081 0.000 2.408 493 S HA -0.386 4.084 4.470 0.001 0.000 0.241 493 S C 2.025 176.632 174.600 0.012 0.000 1.080 493 S CA 2.178 60.354 58.200 -0.041 0.000 1.109 493 S CB -0.603 62.573 63.200 -0.040 0.000 0.966 493 S HN 0.557 nan 8.310 nan 0.000 0.449 494 H N -0.353 118.644 119.070 -0.122 0.000 2.456 494 H HA 0.031 4.587 4.556 0.001 0.000 0.296 494 H C 2.023 177.290 175.328 -0.101 0.000 1.079 494 H CA 1.284 57.259 56.048 -0.122 0.000 1.322 494 H CB -0.047 29.613 29.762 -0.171 0.000 1.388 494 H HN 0.382 nan 8.280 nan 0.000 0.538 495 L N 0.203 121.390 121.223 -0.060 0.000 2.217 495 L HA -0.070 4.271 4.340 0.001 0.000 0.211 495 L C 1.696 178.532 176.870 -0.057 0.000 1.107 495 L CA 0.855 55.633 54.840 -0.104 0.000 0.783 495 L CB 0.031 42.041 42.059 -0.082 0.000 0.919 495 L HN 0.222 nan 8.230 nan 0.000 0.442 496 R N -0.288 120.192 120.500 -0.034 0.000 2.480 496 R HA 0.153 4.493 4.340 0.001 0.000 0.277 496 R C 0.459 176.752 176.300 -0.012 0.000 1.008 496 R CA -0.229 55.855 56.100 -0.025 0.000 1.090 496 R CB 0.007 30.290 30.300 -0.028 0.000 1.234 496 R HN 0.180 nan 8.270 nan 0.000 0.549 497 R N 0.647 121.147 120.500 0.001 0.000 2.560 497 R HA 0.192 4.533 4.340 0.001 0.000 0.270 497 R C -0.546 175.754 176.300 -0.000 0.000 1.074 497 R CA 0.333 56.440 56.100 0.012 0.000 1.140 497 R CB 1.076 31.414 30.300 0.064 0.000 1.073 497 R HN -0.148 nan 8.270 nan 0.000 0.527 498 T N 1.777 116.330 114.554 -0.001 0.000 2.893 498 T HA 0.340 4.690 4.350 0.001 0.000 0.291 498 T C -1.238 173.457 174.700 -0.008 0.000 1.028 498 T CA -0.652 61.450 62.100 0.003 0.000 0.995 498 T CB 1.426 70.313 68.868 0.032 0.000 1.051 498 T HN 0.597 nan 8.240 nan 0.000 0.470 499 N N 0.215 118.906 118.700 -0.015 0.000 2.328 499 N HA 0.720 5.461 4.740 0.001 0.000 0.299 499 N C -1.354 174.149 175.510 -0.012 0.000 1.179 499 N CA -0.390 52.645 53.050 -0.025 0.000 0.793 499 N CB 1.808 40.265 38.487 -0.051 0.000 1.366 499 N HN 0.477 nan 8.380 nan 0.000 0.493 500 T N 1.403 115.948 114.554 -0.016 0.000 2.900 500 T HA 0.498 4.848 4.350 0.001 0.000 0.295 500 T C -2.725 171.965 174.700 -0.018 0.000 1.044 500 T CA -1.008 61.087 62.100 -0.007 0.000 0.995 500 T CB 2.059 70.932 68.868 0.009 0.000 1.072 500 T HN 0.403 nan 8.240 nan 0.000 0.473 501 P HA 0.425 nan 4.420 nan 0.000 0.234 501 P C -0.260 177.033 177.300 -0.011 0.000 1.799 501 P CA -0.439 62.650 63.100 -0.019 0.000 1.118 501 P CB -0.319 31.369 31.700 -0.019 0.000 1.827 502 I N 1.026 121.588 120.570 -0.013 0.000 3.176 502 I HA 0.098 4.269 4.170 0.001 0.000 0.204 502 I C 2.251 178.361 176.117 -0.012 0.000 1.334 502 I CA 0.307 61.601 61.300 -0.011 0.000 0.825 502 I CB -0.751 37.241 38.000 -0.013 0.000 1.694 502 I HN 0.209 nan 8.210 nan 0.000 0.970 503 G N 0.111 108.903 108.800 -0.013 0.000 2.226 503 G HA2 -0.047 3.913 3.960 0.001 0.000 0.166 503 G HA3 -0.047 3.913 3.960 0.001 0.000 0.166 503 G C 1.000 175.892 174.900 -0.013 0.000 1.629 503 G CA 0.569 45.660 45.100 -0.014 0.000 1.008 503 G HN 0.646 nan 8.290 nan 0.000 0.410 504 R N -1.438 119.054 120.500 -0.013 0.000 2.646 504 R HA 0.186 4.526 4.340 0.001 0.000 0.226 504 R C -0.536 175.756 176.300 -0.013 0.000 0.928 504 R CA -0.236 55.856 56.100 -0.012 0.000 1.010 504 R CB 0.648 30.942 30.300 -0.010 0.000 1.516 504 R HN 0.339 nan 8.270 nan 0.000 0.621 505 D N 0.384 120.775 120.400 -0.014 0.000 2.326 505 D HA 0.265 4.905 4.640 0.001 0.000 0.251 505 D C 0.206 176.496 176.300 -0.016 0.000 1.023 505 D CA -0.219 53.772 54.000 -0.015 0.000 0.966 505 D CB 0.970 41.761 40.800 -0.015 0.000 1.156 505 D HN 0.063 nan 8.370 nan 0.000 0.494 506 G N 0.540 109.330 108.800 -0.017 0.000 2.464 506 G HA2 0.106 4.066 3.960 0.001 0.000 0.231 506 G HA3 0.106 4.066 3.960 0.001 0.000 0.231 506 G C -0.151 174.739 174.900 -0.016 0.000 1.267 506 G CA 0.018 45.108 45.100 -0.017 0.000 0.863 506 G HN 0.249 nan 8.290 nan 0.000 0.559 507 K N 1.346 121.737 120.400 -0.015 0.000 2.668 507 K HA 0.233 4.554 4.320 0.001 0.000 0.246 507 K C -1.479 175.114 176.600 -0.012 0.000 0.976 507 K CA -0.721 55.557 56.287 -0.014 0.000 0.902 507 K CB 2.089 34.580 32.500 -0.014 0.000 1.172 507 K HN 0.303 nan 8.250 nan 0.000 0.452 508 L N 2.847 124.063 121.223 -0.012 0.000 2.287 508 L HA 0.714 5.055 4.340 0.001 0.000 0.287 508 L C -0.421 176.445 176.870 -0.008 0.000 1.022 508 L CA 0.341 55.176 54.840 -0.009 0.000 0.814 508 L CB 1.285 43.339 42.059 -0.009 0.000 1.217 508 L HN 0.922 nan 8.230 nan 0.000 0.420 509 A N 3.824 126.643 122.820 -0.002 0.000 5.432 509 A HA 0.146 4.466 4.320 0.001 0.000 0.181 509 A C -0.209 177.384 177.584 0.014 0.000 0.940 509 A CA -0.046 51.991 52.037 -0.000 0.000 0.828 509 A CB -0.117 18.876 19.000 -0.011 0.000 2.058 509 A HN 0.658 nan 8.150 nan 0.000 1.020 510 K N 0.028 120.435 120.400 0.012 0.000 2.687 510 K HA 0.096 4.416 4.320 0.001 0.000 0.197 510 K C -1.756 174.875 176.600 0.052 0.000 1.018 510 K CA 1.424 57.729 56.287 0.031 0.000 1.035 510 K CB -0.238 32.264 32.500 0.003 0.000 0.834 510 K HN 0.327 nan 8.250 nan 0.000 0.496 511 P HA 0.138 nan 4.420 nan 0.000 0.515 511 P C 0.721 178.060 177.300 0.064 0.000 0.906 511 P CA 0.016 63.158 63.100 0.069 0.000 2.377 511 P CB 0.290 32.014 31.700 0.041 0.000 1.140 512 R N -0.223 120.299 120.500 0.036 0.000 2.119 512 R HA -0.124 4.216 4.340 0.001 0.000 0.246 512 R C 1.269 177.584 176.300 0.024 0.000 1.146 512 R CA 1.246 57.357 56.100 0.017 0.000 0.962 512 R CB -0.945 29.359 30.300 0.007 0.000 0.863 512 R HN 0.293 nan 8.270 nan 0.000 0.442 513 Q N 0.335 120.165 119.800 0.049 0.000 2.861 513 Q HA 0.005 4.345 4.340 0.001 0.000 0.240 513 Q C -0.715 175.339 176.000 0.090 0.000 1.162 513 Q CA 0.448 56.288 55.803 0.062 0.000 1.078 513 Q CB 0.266 29.050 28.738 0.077 0.000 1.349 513 Q HN 0.056 nan 8.270 nan 0.000 0.595 514 L N 1.437 122.714 121.223 0.090 0.000 2.276 514 L HA 0.317 4.658 4.340 0.001 0.000 0.286 514 L C -1.105 175.887 176.870 0.203 0.000 1.024 514 L CA -0.173 54.741 54.840 0.124 0.000 0.826 514 L CB 0.587 42.671 42.059 0.043 0.000 1.211 514 L HN 0.654 nan 8.230 nan 0.000 0.422 515 H N 2.621 121.891 119.070 0.333 0.000 2.546 515 H HA 0.334 4.890 4.556 0.001 0.000 0.365 515 H C 0.937 176.281 175.328 0.026 0.000 1.220 515 H CA 0.681 56.761 56.048 0.054 0.000 1.386 515 H CB 1.043 30.644 29.762 -0.267 0.000 1.510 515 H HN 0.762 nan 8.280 nan 0.000 0.591 516 N N -0.290 118.173 118.700 -0.395 0.000 2.135 516 N HA -0.169 4.571 4.740 0.001 0.000 0.186 516 N C 1.556 177.128 175.510 0.103 0.000 1.027 516 N CA 1.410 54.388 53.050 -0.120 0.000 0.849 516 N CB -0.064 38.272 38.487 -0.251 0.000 1.002 516 N HN 0.730 nan 8.380 nan 0.000 0.425 517 T N -0.622 114.067 114.554 0.225 0.000 2.822 517 T HA -0.187 4.163 4.350 0.001 0.000 0.270 517 T C 1.468 176.237 174.700 0.115 0.000 1.064 517 T CA 1.140 63.314 62.100 0.124 0.000 1.131 517 T CB -0.518 68.334 68.868 -0.026 0.000 0.858 517 T HN 0.267 nan 8.240 nan 0.000 0.483 518 H N -0.586 118.517 119.070 0.056 0.000 2.545 518 H HA 0.075 4.631 4.556 0.001 0.000 0.282 518 H C 0.887 176.191 175.328 -0.040 0.000 1.020 518 H CA 0.197 56.131 56.048 -0.189 0.000 1.243 518 H CB -0.495 29.144 29.762 -0.206 0.000 1.377 518 H HN 0.589 nan 8.280 nan 0.000 0.581 519 W N 1.793 123.119 121.300 0.043 0.000 2.223 519 W HA 0.198 4.858 4.660 0.001 0.000 0.334 519 W C 1.063 177.602 176.519 0.034 0.000 1.334 519 W CA 1.342 58.702 57.345 0.026 0.000 1.246 519 W CB 0.232 29.698 29.460 0.010 0.000 1.184 519 W HN 0.471 nan 8.180 nan 0.000 0.563 520 G N 3.919 112.314 108.800 -0.675 0.000 2.353 520 G HA2 -0.376 3.585 3.960 0.001 0.000 0.258 520 G HA3 -0.376 3.585 3.960 0.001 0.000 0.258 520 G C 0.888 175.718 174.900 -0.117 0.000 1.013 520 G CA 0.884 45.733 45.100 -0.419 0.000 0.622 520 G HN 0.572 nan 8.290 nan 0.000 0.535 521 L N -0.560 120.656 121.223 -0.013 0.000 2.200 521 L HA 0.329 4.670 4.340 0.001 0.000 0.200 521 L C 1.194 178.063 176.870 -0.002 0.000 1.072 521 L CA 0.664 55.544 54.840 0.067 0.000 0.787 521 L CB -0.112 42.110 42.059 0.273 0.000 0.957 521 L HN 0.162 nan 8.230 nan 0.000 0.459 522 V N -0.681 119.172 119.914 -0.101 0.000 2.769 522 V HA 0.199 4.319 4.120 0.001 0.000 0.312 522 V C -0.203 175.788 176.094 -0.172 0.000 1.058 522 V CA -1.146 61.059 62.300 -0.158 0.000 0.952 522 V CB 2.614 34.243 31.823 -0.324 0.000 1.019 522 V HN 0.261 nan 8.190 nan 0.000 0.445 523 C N 6.377 125.589 119.300 -0.147 0.000 2.644 523 C HA 0.334 4.795 4.460 0.001 0.000 0.417 523 C C -0.267 174.638 174.990 -0.142 0.000 1.304 523 C CA -0.744 58.193 59.018 -0.135 0.000 2.035 523 C CB 0.626 28.305 27.740 -0.100 0.000 2.673 523 C HN 0.866 nan 8.230 nan 0.000 0.602 524 P HA 0.056 nan 4.420 nan 0.000 0.217 524 P C 0.945 178.205 177.300 -0.067 0.000 1.153 524 P CA 1.862 64.910 63.100 -0.087 0.000 0.843 524 P CB 0.098 31.764 31.700 -0.056 0.000 0.794 525 A N 0.038 122.823 122.820 -0.058 0.000 2.095 525 A HA 0.010 4.330 4.320 0.001 0.000 0.212 525 A C 1.385 178.947 177.584 -0.038 0.000 1.162 525 A CA 0.098 52.110 52.037 -0.042 0.000 0.753 525 A CB -0.765 18.212 19.000 -0.038 0.000 0.840 525 A HN 0.222 nan 8.150 nan 0.000 0.468 526 E N 0.990 121.158 120.200 -0.053 0.000 1.996 526 E HA 0.372 4.722 4.350 0.001 0.000 0.280 526 E C -0.762 175.807 176.600 -0.051 0.000 1.092 526 E CA 0.025 56.398 56.400 -0.046 0.000 0.862 526 E CB 0.112 29.780 29.700 -0.053 0.000 1.066 526 E HN 0.183 nan 8.360 nan 0.000 0.396 527 T N 4.214 118.748 114.554 -0.035 0.000 2.957 527 T HA 0.329 4.679 4.350 0.001 0.000 0.336 527 T C -2.848 171.838 174.700 -0.024 0.000 1.462 527 T CA -1.431 60.646 62.100 -0.039 0.000 1.073 527 T CB 1.472 70.311 68.868 -0.048 0.000 1.319 527 T HN 0.298 nan 8.240 nan 0.000 0.485 528 P HA 0.238 nan 4.420 nan 0.000 0.268 528 P C -0.440 176.841 177.300 -0.032 0.000 1.204 528 P CA -0.118 62.959 63.100 -0.038 0.000 0.768 528 P CB 0.541 32.213 31.700 -0.047 0.000 0.842 529 E N 1.273 121.446 120.200 -0.045 0.000 2.390 529 E HA 0.314 4.665 4.350 0.001 0.000 0.261 529 E C 1.145 177.717 176.600 -0.046 0.000 1.076 529 E CA -0.118 56.256 56.400 -0.044 0.000 0.905 529 E CB 0.115 29.747 29.700 -0.113 0.000 0.984 529 E HN 0.721 nan 8.360 nan 0.000 0.427 530 G N 1.889 110.670 108.800 -0.030 0.000 2.586 530 G HA2 -0.437 3.523 3.960 0.001 0.000 0.308 530 G HA3 -0.437 3.523 3.960 0.001 0.000 0.308 530 G C 0.465 175.345 174.900 -0.032 0.000 1.317 530 G CA 0.815 45.897 45.100 -0.031 0.000 0.922 530 G HN 0.943 nan 8.290 nan 0.000 0.551 531 Q N -2.901 116.879 119.800 -0.033 0.000 2.341 531 Q HA -0.315 4.025 4.340 0.001 0.000 0.431 531 Q C 1.605 177.588 176.000 -0.028 0.000 0.591 531 Q CA 2.554 58.338 55.803 -0.032 0.000 0.966 531 Q CB -1.771 26.944 28.738 -0.037 0.000 2.454 531 Q HN 2.461 nan 8.270 nan 0.000 0.956 532 A N 0.768 123.570 122.820 -0.030 0.000 3.197 532 A HA 0.416 4.736 4.320 0.001 0.000 0.263 532 A C 0.101 177.668 177.584 -0.028 0.000 1.524 532 A CA 0.107 52.127 52.037 -0.028 0.000 1.176 532 A CB -0.399 18.583 19.000 -0.030 0.000 1.096 532 A HN 0.532 nan 8.150 nan 0.000 0.655 533 C N 0.610 119.895 119.300 -0.025 0.000 2.482 533 C HA 0.548 5.008 4.460 0.001 0.000 0.378 533 C C 1.609 176.585 174.990 -0.024 0.000 1.284 533 C CA 1.065 60.069 59.018 -0.024 0.000 1.826 533 C CB -1.304 26.426 27.740 -0.016 0.000 2.473 533 C HN 1.742 nan 8.230 nan 0.000 0.562 534 G N 4.733 113.512 108.800 -0.035 0.000 2.175 534 G HA2 -0.221 3.740 3.960 0.001 0.000 0.244 534 G HA3 -0.221 3.740 3.960 0.001 0.000 0.244 534 G C 0.425 175.302 174.900 -0.039 0.000 0.982 534 G CA 0.517 45.590 45.100 -0.045 0.000 0.641 534 G HN 0.740 nan 8.290 nan 0.000 0.527 535 L N -0.340 120.866 121.223 -0.029 0.000 2.408 535 L HA 0.345 4.686 4.340 0.001 0.000 0.215 535 L C 0.809 177.666 176.870 -0.023 0.000 1.081 535 L CA 0.384 55.214 54.840 -0.018 0.000 0.840 535 L CB 0.613 42.663 42.059 -0.016 0.000 1.002 535 L HN 0.123 nan 8.230 nan 0.000 0.468 536 V N 1.079 120.972 119.914 -0.035 0.000 2.384 536 V HA 0.312 4.432 4.120 0.001 0.000 0.287 536 V C -0.313 175.750 176.094 -0.052 0.000 1.020 536 V CA -0.592 61.686 62.300 -0.036 0.000 0.850 536 V CB 1.561 33.361 31.823 -0.037 0.000 0.987 536 V HN 0.139 nan 8.190 nan 0.000 0.436 537 K N 3.388 123.756 120.400 -0.053 0.000 2.400 537 K HA 0.568 4.889 4.320 0.001 0.000 0.246 537 K C -0.952 175.614 176.600 -0.058 0.000 0.995 537 K CA -1.036 55.201 56.287 -0.083 0.000 0.840 537 K CB 2.030 34.446 32.500 -0.141 0.000 1.293 537 K HN 0.456 nan 8.250 nan 0.000 0.445 538 N N 1.695 120.351 118.700 -0.072 0.000 2.372 538 N HA 0.314 5.055 4.740 0.001 0.000 0.285 538 N C -0.720 174.757 175.510 -0.055 0.000 1.008 538 N CA -0.469 52.550 53.050 -0.052 0.000 0.880 538 N CB 1.262 39.718 38.487 -0.051 0.000 1.239 538 N HN 0.374 nan 8.380 nan 0.000 0.484 539 L N 1.514 122.720 121.223 -0.028 0.000 2.483 539 L HA 0.070 4.411 4.340 0.001 0.000 0.276 539 L C 1.360 178.212 176.870 -0.030 0.000 1.213 539 L CA 0.171 55.000 54.840 -0.018 0.000 0.843 539 L CB 0.265 42.322 42.059 -0.004 0.000 1.107 539 L HN 0.423 nan 8.230 nan 0.000 0.487 540 S N 1.909 117.589 115.700 -0.034 0.000 2.632 540 S HA 0.152 4.623 4.470 0.001 0.000 0.254 540 S C 1.259 175.868 174.600 0.015 0.000 1.291 540 S CA -0.584 57.596 58.200 -0.034 0.000 0.974 540 S CB 0.497 63.659 63.200 -0.063 0.000 1.016 540 S HN 0.453 nan 8.310 nan 0.000 0.579 541 L N 0.256 121.515 121.223 0.059 0.000 2.022 541 L HA -0.041 4.299 4.340 0.001 0.000 0.204 541 L C 2.566 179.596 176.870 0.266 0.000 1.076 541 L CA 0.905 55.847 54.840 0.169 0.000 0.749 541 L CB -0.424 41.778 42.059 0.239 0.000 0.903 541 L HN 0.549 nan 8.230 nan 0.000 0.439 542 M N 0.235 119.972 119.600 0.229 0.000 2.213 542 M HA -0.064 4.417 4.480 0.001 0.000 0.263 542 M C 1.345 177.740 176.300 0.159 0.000 1.062 542 M CA 0.653 56.112 55.300 0.265 0.000 1.105 542 M CB -1.305 31.264 32.600 -0.052 0.000 1.385 542 M HN 0.322 nan 8.290 nan 0.000 0.417 543 S N 0.410 116.130 115.700 0.034 0.000 2.561 543 S HA 0.130 4.600 4.470 0.001 0.000 0.294 543 S C 0.164 174.671 174.600 -0.155 0.000 1.294 543 S CA -0.626 57.535 58.200 -0.065 0.000 1.055 543 S CB 0.234 63.414 63.200 -0.033 0.000 0.819 543 S HN 0.427 nan 8.310 nan 0.000 0.503 544 C N 2.054 121.101 119.300 -0.422 0.000 3.318 544 C HA 0.718 5.178 4.460 0.001 0.000 0.329 544 C C -0.338 174.170 174.990 -0.804 0.000 1.449 544 C CA -0.980 57.690 59.018 -0.581 0.000 1.397 544 C CB 0.919 28.243 27.740 -0.693 0.000 1.810 544 C HN 0.936 nan 8.230 nan 0.000 0.449 545 I N 1.476 121.703 120.570 -0.570 0.000 2.608 545 I HA 0.349 4.519 4.170 0.001 0.000 0.295 545 I C 0.186 176.326 176.117 0.038 0.000 1.049 545 I CA -0.010 61.113 61.300 -0.294 0.000 1.063 545 I CB 2.083 40.015 38.000 -0.113 0.000 1.248 545 I HN 0.785 nan 8.210 nan 0.000 0.424 546 S N 4.250 120.120 115.700 0.284 0.000 2.515 546 S HA 0.066 4.536 4.470 0.001 0.000 0.285 546 S C 0.592 175.297 174.600 0.175 0.000 1.265 546 S CA -0.524 57.890 58.200 0.356 0.000 1.079 546 S CB 1.400 64.745 63.200 0.241 0.000 0.877 546 S HN 0.554 nan 8.310 nan 0.000 0.493 547 V N 3.724 123.736 119.914 0.164 0.000 2.951 547 V HA 0.387 4.507 4.120 0.001 0.000 0.255 547 V C 1.122 177.269 176.094 0.087 0.000 1.088 547 V CA 1.433 63.795 62.300 0.104 0.000 1.109 547 V CB -0.901 30.971 31.823 0.081 0.000 0.724 547 V HN 1.671 nan 8.190 nan 0.000 0.471 548 G N 0.196 109.053 108.800 0.095 0.000 3.355 548 G HA2 -0.083 3.877 3.960 0.001 0.000 0.686 548 G HA3 -0.083 3.877 3.960 0.001 0.000 0.686 548 G C -0.375 174.576 174.900 0.085 0.000 1.097 548 G CA -0.208 44.944 45.100 0.086 0.000 0.881 548 G HN 0.486 nan 8.290 nan 0.000 0.550 549 T N 1.309 115.913 114.554 0.084 0.000 2.849 549 T HA 0.712 5.062 4.350 0.001 0.000 0.272 549 T C -0.288 174.460 174.700 0.081 0.000 1.046 549 T CA -0.328 61.822 62.100 0.084 0.000 0.983 549 T CB 1.367 70.273 68.868 0.063 0.000 1.721 549 T HN 0.660 nan 8.240 nan 0.000 0.594 550 D N 0.771 121.210 120.400 0.065 0.000 2.350 550 D HA 0.336 4.976 4.640 0.001 0.000 0.245 550 D C -1.527 174.791 176.300 0.030 0.000 1.036 550 D CA -2.228 51.803 54.000 0.050 0.000 0.848 550 D CB 2.263 43.089 40.800 0.042 0.000 1.307 550 D HN 0.080 nan 8.370 nan 0.000 0.469 551 P HA -0.053 nan 4.420 nan 0.000 0.214 551 P C 1.820 179.103 177.300 -0.029 0.000 1.167 551 P CA 0.783 63.886 63.100 0.006 0.000 0.882 551 P CB 0.582 32.299 31.700 0.028 0.000 0.777 552 M N 0.627 120.212 119.600 -0.024 0.000 2.113 552 M HA -0.127 4.353 4.480 0.001 0.000 0.255 552 M C -0.477 175.819 176.300 -0.008 0.000 1.073 552 M CA 3.137 58.420 55.300 -0.028 0.000 1.091 552 M CB -2.363 30.229 32.600 -0.014 0.000 1.309 552 M HN 0.038 nan 8.290 nan 0.000 0.407 553 P HA -0.104 nan 4.420 nan 0.000 0.234 553 P C 0.807 178.119 177.300 0.019 0.000 1.162 553 P CA 1.421 64.536 63.100 0.024 0.000 0.759 553 P CB -0.258 31.451 31.700 0.016 0.000 0.813 554 I N -2.584 117.968 120.570 -0.029 0.000 4.471 554 I HA 0.105 4.276 4.170 0.001 0.000 0.326 554 I C 2.254 178.336 176.117 -0.058 0.000 1.300 554 I CA -0.073 61.164 61.300 -0.105 0.000 1.237 554 I CB 0.262 38.166 38.000 -0.160 0.000 1.195 554 I HN -0.197 nan 8.210 nan 0.000 0.427 555 I N 0.860 121.392 120.570 -0.063 0.000 2.296 555 I HA -0.186 3.985 4.170 0.001 0.000 0.242 555 I C 2.425 178.538 176.117 -0.007 0.000 1.087 555 I CA 1.398 62.629 61.300 -0.114 0.000 1.393 555 I CB 0.017 37.880 38.000 -0.227 0.000 1.093 555 I HN 0.123 nan 8.210 nan 0.000 0.421 556 T N 1.117 115.685 114.554 0.023 0.000 2.720 556 T HA -0.269 4.082 4.350 0.001 0.000 0.268 556 T C 1.661 176.440 174.700 0.132 0.000 1.037 556 T CA 1.799 63.934 62.100 0.058 0.000 1.144 556 T CB -0.478 68.420 68.868 0.049 0.000 0.864 556 T HN 0.355 nan 8.240 nan 0.000 0.444 557 F N 1.109 121.044 119.950 -0.024 0.000 2.134 557 F HA -0.051 4.477 4.527 0.001 0.000 0.299 557 F C 1.940 177.752 175.800 0.020 0.000 1.097 557 F CA 0.983 58.975 58.000 -0.015 0.000 1.264 557 F CB -0.201 38.737 39.000 -0.102 0.000 1.001 557 F HN 0.053 nan 8.300 nan 0.000 0.479 558 L N 0.453 121.956 121.223 0.468 0.000 1.955 558 L HA -0.280 4.060 4.340 0.001 0.000 0.213 558 L C 2.774 179.765 176.870 0.202 0.000 1.072 558 L CA 1.784 56.812 54.840 0.314 0.000 0.755 558 L CB -1.115 41.007 42.059 0.105 0.000 0.888 558 L HN 0.303 nan 8.230 nan 0.000 0.432 559 S N -0.910 114.858 115.700 0.113 0.000 2.559 559 S HA -0.192 4.278 4.470 0.001 0.000 0.250 559 S C 1.076 175.719 174.600 0.072 0.000 0.977 559 S CA 1.176 59.420 58.200 0.072 0.000 0.958 559 S CB -0.524 62.697 63.200 0.035 0.000 0.751 559 S HN 0.527 nan 8.310 nan 0.000 0.534 560 E N -1.333 118.939 120.200 0.119 0.000 2.651 560 E HA 0.197 4.547 4.350 0.001 0.000 0.208 560 E C -0.693 175.941 176.600 0.057 0.000 0.997 560 E CA -0.230 56.207 56.400 0.062 0.000 1.020 560 E CB 0.313 30.039 29.700 0.044 0.000 1.052 560 E HN 0.721 nan 8.360 nan 0.000 0.465 561 W N -0.736 120.514 121.300 -0.083 0.000 1.526 561 W HA 0.271 4.931 4.660 0.001 0.000 0.218 561 W C 1.074 177.584 176.519 -0.014 0.000 0.797 561 W CA 0.101 57.405 57.345 -0.068 0.000 0.997 561 W CB 1.441 30.862 29.460 -0.065 0.000 0.926 561 W HN 0.208 nan 8.180 nan 0.000 0.483 562 G N -0.257 108.646 108.800 0.171 0.000 4.205 562 G HA2 -0.141 3.820 3.960 0.001 0.000 0.200 562 G HA3 -0.141 3.820 3.960 0.001 0.000 0.200 562 G C 0.257 175.364 174.900 0.346 0.000 1.190 562 G CA -0.266 45.018 45.100 0.307 0.000 0.861 562 G HN -0.051 nan 8.290 nan 0.000 0.326 563 M N 2.879 122.575 119.600 0.160 0.000 2.603 563 M HA 0.161 4.641 4.480 0.001 0.000 0.399 563 M C -0.285 176.064 176.300 0.082 0.000 1.745 563 M CA 0.776 56.155 55.300 0.130 0.000 1.055 563 M CB -0.046 32.589 32.600 0.058 0.000 2.144 563 M HN 0.295 nan 8.290 nan 0.000 0.483 564 E N 8.458 128.698 120.200 0.067 0.000 2.070 564 E HA 0.238 4.588 4.350 0.001 0.000 0.282 564 E C -2.108 174.453 176.600 -0.066 0.000 1.104 564 E CA -1.853 54.550 56.400 0.005 0.000 0.876 564 E CB 0.135 29.841 29.700 0.010 0.000 1.055 564 E HN 0.508 nan 8.360 nan 0.000 0.401 565 P HA -0.179 nan 4.420 nan 0.000 0.263 565 P C 0.708 177.862 177.300 -0.242 0.000 1.162 565 P CA 0.096 63.122 63.100 -0.124 0.000 0.758 565 P CB 0.781 32.432 31.700 -0.082 0.000 0.773 566 L N 3.606 124.599 121.223 -0.383 0.000 2.189 566 L HA -0.223 4.118 4.340 0.001 0.000 0.214 566 L C 2.272 178.820 176.870 -0.537 0.000 1.097 566 L CA 1.877 56.306 54.840 -0.686 0.000 0.764 566 L CB -0.871 40.688 42.059 -0.833 0.000 0.900 566 L HN 0.299 nan 8.230 nan 0.000 0.436 567 E N -0.060 119.960 120.200 -0.301 0.000 2.065 567 E HA -0.205 4.146 4.350 0.001 0.000 0.201 567 E C 0.414 176.917 176.600 -0.162 0.000 1.016 567 E CA 1.525 57.803 56.400 -0.202 0.000 0.818 567 E CB -0.523 29.079 29.700 -0.164 0.000 0.749 567 E HN 0.606 nan 8.360 nan 0.000 0.453 568 D N 0.068 120.377 120.400 -0.152 0.000 2.557 568 D HA 0.122 4.763 4.640 0.001 0.000 0.236 568 D C -0.840 175.407 176.300 -0.087 0.000 1.154 568 D CA -0.137 53.803 54.000 -0.099 0.000 0.985 568 D CB -0.189 40.563 40.800 -0.081 0.000 1.010 568 D HN 0.039 nan 8.370 nan 0.000 0.516 569 Y N 1.031 121.155 120.300 -0.294 0.000 2.429 569 Y HA 0.407 4.957 4.550 0.001 0.000 0.342 569 Y C -0.680 175.144 175.900 -0.127 0.000 1.004 569 Y CA -1.168 56.742 58.100 -0.318 0.000 1.075 569 Y CB 1.604 39.656 38.460 -0.681 0.000 1.214 569 Y HN 0.001 nan 8.280 nan 0.000 0.455 570 V N 6.321 125.771 119.914 -0.773 0.000 2.443 570 V HA 0.384 4.505 4.120 0.001 0.000 0.272 570 V C -2.136 173.423 176.094 -0.892 0.000 1.002 570 V CA -1.686 60.233 62.300 -0.635 0.000 0.840 570 V CB 0.901 32.457 31.823 -0.445 0.000 1.042 570 V HN 0.706 nan 8.190 nan 0.000 0.446 571 P HA -0.326 nan 4.420 nan 0.000 0.211 571 P C 1.435 178.607 177.300 -0.213 0.000 1.038 571 P CA 2.778 65.630 63.100 -0.412 0.000 0.988 571 P CB -0.274 31.444 31.700 0.030 0.000 0.758 572 H N -0.553 118.455 119.070 -0.104 0.000 2.543 572 H HA -0.053 4.503 4.556 0.001 0.000 0.286 572 H C 2.008 177.294 175.328 -0.069 0.000 1.037 572 H CA 1.326 57.346 56.048 -0.047 0.000 1.250 572 H CB -0.955 28.795 29.762 -0.021 0.000 1.373 572 H HN 0.346 nan 8.280 nan 0.000 0.580 573 Q N 1.322 120.864 119.800 -0.430 0.000 2.187 573 Q HA 0.023 4.363 4.340 0.001 0.000 0.199 573 Q C 0.019 175.919 176.000 -0.167 0.000 0.957 573 Q CA 0.648 56.281 55.803 -0.284 0.000 0.857 573 Q CB 0.539 29.069 28.738 -0.347 0.000 0.929 573 Q HN 0.240 nan 8.270 nan 0.000 0.453 574 S N 1.635 117.223 115.700 -0.186 0.000 2.395 574 S HA 0.228 4.698 4.470 0.001 0.000 0.207 574 S C -2.179 172.426 174.600 0.008 0.000 1.454 574 S CA -1.100 57.055 58.200 -0.074 0.000 1.211 574 S CB 1.696 64.862 63.200 -0.057 0.000 1.093 574 S HN 0.288 nan 8.310 nan 0.000 0.472 575 P HA -0.045 nan 4.420 nan 0.000 0.213 575 P C 0.157 177.542 177.300 0.142 0.000 1.170 575 P CA 1.101 64.267 63.100 0.109 0.000 0.889 575 P CB 0.079 31.834 31.700 0.093 0.000 0.782 576 D N 0.570 121.034 120.400 0.106 0.000 2.395 576 D HA 0.188 4.829 4.640 0.001 0.000 0.250 576 D C 0.550 176.921 176.300 0.119 0.000 1.203 576 D CA 0.116 54.180 54.000 0.108 0.000 0.872 576 D CB -0.503 40.340 40.800 0.072 0.000 0.941 576 D HN 0.155 nan 8.370 nan 0.000 0.504 577 A N 0.607 123.524 122.820 0.162 0.000 2.566 577 A HA 0.110 4.431 4.320 0.001 0.000 0.245 577 A C 0.862 178.549 177.584 0.171 0.000 1.056 577 A CA 0.288 52.437 52.037 0.187 0.000 0.757 577 A CB 0.061 19.261 19.000 0.333 0.000 0.979 577 A HN 0.043 nan 8.150 nan 0.000 0.508 578 T N 4.478 119.111 114.554 0.133 0.000 3.379 578 T HA 0.226 4.576 4.350 0.001 0.000 0.274 578 T C 0.471 175.240 174.700 0.114 0.000 1.555 578 T CA -0.473 61.705 62.100 0.131 0.000 1.297 578 T CB -0.670 68.276 68.868 0.130 0.000 1.132 578 T HN 0.820 nan 8.240 nan 0.000 0.722 579 R N 0.274 120.837 120.500 0.104 0.000 2.466 579 R HA 0.052 4.393 4.340 0.001 0.000 0.280 579 R C -0.753 175.494 176.300 -0.090 0.000 0.926 579 R CA -0.056 56.102 56.100 0.097 0.000 1.127 579 R CB -0.256 30.073 30.300 0.048 0.000 0.871 579 R HN 0.126 nan 8.270 nan 0.000 0.421 580 V N 4.512 124.396 119.914 -0.049 0.000 2.483 580 V HA 0.441 4.561 4.120 0.001 0.000 0.295 580 V C -0.383 175.575 176.094 -0.226 0.000 1.035 580 V CA -0.515 61.733 62.300 -0.085 0.000 0.896 580 V CB 1.131 32.973 31.823 0.031 0.000 0.986 580 V HN 0.577 nan 8.190 nan 0.000 0.447 581 F N 3.172 123.119 119.950 -0.006 0.000 2.508 581 F HA 0.729 5.257 4.527 0.001 0.000 0.325 581 F C -0.090 175.671 175.800 -0.065 0.000 1.090 581 F CA -0.814 57.162 58.000 -0.039 0.000 0.945 581 F CB 2.176 41.085 39.000 -0.152 0.000 1.156 581 F HN 0.203 nan 8.300 nan 0.000 0.463 582 V N 3.531 123.596 119.914 0.252 0.000 2.623 582 V HA 0.314 4.434 4.120 0.001 0.000 0.304 582 V C -0.725 175.488 176.094 0.199 0.000 1.054 582 V CA -0.996 61.388 62.300 0.140 0.000 0.882 582 V CB 1.645 33.600 31.823 0.221 0.000 1.002 582 V HN 0.828 nan 8.190 nan 0.000 0.424 583 N N 4.364 123.157 118.700 0.156 0.000 2.716 583 N HA -0.199 4.541 4.740 0.001 0.000 0.250 583 N C 0.965 176.703 175.510 0.380 0.000 1.033 583 N CA 1.817 55.107 53.050 0.401 0.000 0.727 583 N CB -1.001 37.657 38.487 0.286 0.000 0.950 583 N HN 1.658 nan 8.380 nan 0.000 0.541 584 G N -2.686 106.351 108.800 0.394 0.000 2.221 584 G HA2 -0.237 3.724 3.960 0.001 0.000 0.265 584 G HA3 -0.237 3.724 3.960 0.001 0.000 0.265 584 G C -0.118 175.004 174.900 0.370 0.000 1.041 584 G CA 0.394 45.693 45.100 0.331 0.000 0.807 584 G HN 0.577 nan 8.290 nan 0.000 0.502 585 V N -0.831 119.288 119.914 0.342 0.000 2.876 585 V HA 0.718 4.839 4.120 0.001 0.000 0.312 585 V C -0.382 175.794 176.094 0.136 0.000 1.085 585 V CA -1.254 61.112 62.300 0.110 0.000 0.945 585 V CB 2.075 33.770 31.823 -0.213 0.000 1.017 585 V HN 0.311 nan 8.190 nan 0.000 0.428 586 W N 4.085 125.271 121.300 -0.189 0.000 2.317 586 W HA 0.481 5.141 4.660 0.001 0.000 0.327 586 W C 0.663 176.927 176.519 -0.424 0.000 1.036 586 W CA -0.786 56.343 57.345 -0.360 0.000 1.419 586 W CB 0.136 29.516 29.460 -0.133 0.000 1.253 586 W HN 0.670 nan 8.180 nan 0.000 0.392 587 H N 3.809 122.919 119.070 0.066 0.000 2.519 587 H HA 0.320 4.876 4.556 0.001 0.000 0.289 587 H C 1.261 176.472 175.328 -0.195 0.000 1.040 587 H CA 0.946 56.958 56.048 -0.059 0.000 1.165 587 H CB 0.089 29.847 29.762 -0.007 0.000 1.462 587 H HN 0.587 nan 8.280 nan 0.000 0.555 588 G N -0.157 108.418 108.800 -0.375 0.000 2.342 588 G HA2 -0.094 3.867 3.960 0.001 0.000 0.220 588 G HA3 -0.094 3.867 3.960 0.001 0.000 0.220 588 G C -0.791 173.908 174.900 -0.336 0.000 1.243 588 G CA -0.241 44.549 45.100 -0.516 0.000 1.083 588 G HN 0.152 nan 8.290 nan 0.000 0.500 589 V N -1.150 118.642 119.914 -0.203 0.000 3.856 589 V HA 1.002 5.123 4.120 0.001 0.000 0.302 589 V C -0.141 176.031 176.094 0.129 0.000 1.389 589 V CA 0.347 62.629 62.300 -0.029 0.000 0.964 589 V CB 1.660 33.438 31.823 -0.075 0.000 1.227 589 V HN 2.007 nan 8.190 nan 0.000 0.474 590 H N -0.622 118.466 119.070 0.029 0.000 2.987 590 H HA 0.370 4.926 4.556 0.001 0.000 0.285 590 H C -0.352 175.015 175.328 0.065 0.000 1.176 590 H CA -0.576 55.501 56.048 0.049 0.000 1.596 590 H CB 0.863 30.661 29.762 0.061 0.000 2.044 590 H HN 0.539 nan 8.280 nan 0.000 0.500 591 R N 1.782 121.965 120.500 -0.527 0.000 1.523 591 R HA 0.120 4.460 4.340 0.001 0.000 0.081 591 R C 0.273 176.272 176.300 -0.502 0.000 0.519 591 R CA -0.411 55.470 56.100 -0.365 0.000 2.012 591 R CB -0.386 29.775 30.300 -0.232 0.000 0.617 591 R HN 0.685 nan 8.270 nan 0.000 0.747 592 N N 3.406 121.943 118.700 -0.271 0.000 2.106 592 N HA -0.094 4.647 4.740 0.001 0.000 0.284 592 N C -1.684 173.842 175.510 0.026 0.000 1.388 592 N CA -0.160 52.832 53.050 -0.096 0.000 0.944 592 N CB 0.520 38.991 38.487 -0.026 0.000 1.333 592 N HN 0.306 nan 8.380 nan 0.000 0.489 593 P HA 0.037 nan 4.420 nan 0.000 0.232 593 P C 1.079 178.509 177.300 0.217 0.000 1.170 593 P CA 0.365 63.684 63.100 0.365 0.000 0.824 593 P CB 0.065 31.954 31.700 0.315 0.000 0.896 594 A N 1.411 124.318 122.820 0.145 0.000 2.001 594 A HA -0.271 4.049 4.320 0.001 0.000 0.224 594 A C 2.366 180.018 177.584 0.112 0.000 1.203 594 A CA 1.992 54.094 52.037 0.107 0.000 0.667 594 A CB -1.199 17.851 19.000 0.083 0.000 0.823 594 A HN 0.185 nan 8.150 nan 0.000 0.473 595 R N -1.849 118.741 120.500 0.149 0.000 2.064 595 R HA 0.096 4.436 4.340 0.001 0.000 0.221 595 R C 2.170 178.567 176.300 0.161 0.000 1.136 595 R CA 0.891 57.084 56.100 0.155 0.000 0.980 595 R CB -0.653 29.757 30.300 0.184 0.000 0.876 595 R HN 0.475 nan 8.270 nan 0.000 0.437 596 L N 1.220 122.564 121.223 0.201 0.000 2.103 596 L HA -0.261 4.079 4.340 0.001 0.000 0.215 596 L C 2.190 179.081 176.870 0.035 0.000 1.080 596 L CA 1.872 56.773 54.840 0.101 0.000 0.764 596 L CB -0.391 41.629 42.059 -0.065 0.000 0.890 596 L HN 0.154 nan 8.230 nan 0.000 0.435 597 M N 0.063 119.696 119.600 0.055 0.000 2.101 597 M HA -0.188 4.293 4.480 0.001 0.000 0.259 597 M C 2.290 178.592 176.300 0.004 0.000 1.083 597 M CA 2.194 57.507 55.300 0.021 0.000 1.114 597 M CB -0.823 31.804 32.600 0.045 0.000 1.281 597 M HN 0.408 nan 8.290 nan 0.000 0.422 598 E N -1.543 118.675 120.200 0.029 0.000 2.448 598 E HA -0.178 4.173 4.350 0.001 0.000 0.203 598 E C 1.063 177.664 176.600 0.002 0.000 1.046 598 E CA 1.397 57.808 56.400 0.018 0.000 0.871 598 E CB -0.011 29.710 29.700 0.036 0.000 0.790 598 E HN 0.560 nan 8.360 nan 0.000 0.545 599 T N -0.088 114.464 114.554 -0.002 0.000 3.054 599 T HA 0.070 4.421 4.350 0.001 0.000 0.259 599 T C 1.530 176.143 174.700 -0.145 0.000 1.092 599 T CA 0.270 62.341 62.100 -0.048 0.000 1.121 599 T CB 0.188 69.044 68.868 -0.021 0.000 0.912 599 T HN 0.159 nan 8.240 nan 0.000 0.489 600 L N 0.018 121.149 121.223 -0.154 0.000 2.168 600 L HA 0.200 4.540 4.340 0.001 0.000 0.203 600 L C 2.696 179.465 176.870 -0.167 0.000 1.078 600 L CA 0.672 55.366 54.840 -0.243 0.000 0.780 600 L CB -0.323 41.588 42.059 -0.246 0.000 0.939 600 L HN 0.030 nan 8.230 nan 0.000 0.451 601 R N -0.307 120.135 120.500 -0.097 0.000 2.159 601 R HA -0.107 4.233 4.340 0.001 0.000 0.237 601 R C 1.820 178.081 176.300 -0.065 0.000 1.131 601 R CA 1.657 57.720 56.100 -0.062 0.000 0.982 601 R CB -0.267 30.021 30.300 -0.020 0.000 0.868 601 R HN 0.332 nan 8.270 nan 0.000 0.453 602 T N 0.430 114.942 114.554 -0.069 0.000 3.065 602 T HA 0.102 4.452 4.350 0.001 0.000 0.252 602 T C 1.488 176.144 174.700 -0.074 0.000 1.099 602 T CA 0.045 62.110 62.100 -0.058 0.000 1.063 602 T CB 0.264 69.112 68.868 -0.035 0.000 0.948 602 T HN 0.063 nan 8.240 nan 0.000 0.506 603 L N 1.315 122.470 121.223 -0.113 0.000 2.240 603 L HA 0.160 4.500 4.340 0.001 0.000 0.211 603 L C 2.514 179.311 176.870 -0.121 0.000 1.106 603 L CA 1.305 56.069 54.840 -0.127 0.000 0.793 603 L CB -0.485 41.432 42.059 -0.236 0.000 0.927 603 L HN 0.234 nan 8.230 nan 0.000 0.446 604 R N 0.292 120.718 120.500 -0.124 0.000 2.057 604 R HA -0.070 4.270 4.340 0.001 0.000 0.224 604 R C 1.955 178.193 176.300 -0.102 0.000 1.136 604 R CA 0.445 56.477 56.100 -0.113 0.000 0.968 604 R CB -0.092 30.142 30.300 -0.109 0.000 0.863 604 R HN 0.178 nan 8.270 nan 0.000 0.433 605 R N 0.508 120.953 120.500 -0.092 0.000 2.397 605 R HA -0.106 4.234 4.340 0.001 0.000 0.213 605 R C 1.806 178.056 176.300 -0.084 0.000 1.102 605 R CA 0.962 57.006 56.100 -0.093 0.000 1.040 605 R CB -0.010 30.244 30.300 -0.076 0.000 0.844 605 R HN 0.252 nan 8.270 nan 0.000 0.478 606 K N -0.922 119.435 120.400 -0.071 0.000 2.436 606 K HA 0.036 4.356 4.320 0.001 0.000 0.198 606 K C 0.738 177.308 176.600 -0.049 0.000 1.174 606 K CA 0.883 57.140 56.287 -0.051 0.000 0.951 606 K CB 0.978 33.458 32.500 -0.033 0.000 1.040 606 K HN 0.198 nan 8.250 nan 0.000 0.536 607 G N 1.484 110.248 108.800 -0.060 0.000 2.159 607 G HA2 -0.142 3.818 3.960 0.001 0.000 0.170 607 G HA3 -0.142 3.818 3.960 0.001 0.000 0.170 607 G C 0.148 175.027 174.900 -0.035 0.000 1.007 607 G CA 0.264 45.334 45.100 -0.049 0.000 0.672 607 G HN 0.333 nan 8.290 nan 0.000 0.507 608 D N 0.116 120.491 120.400 -0.042 0.000 2.213 608 D HA 0.129 4.770 4.640 0.001 0.000 0.205 608 D C 1.341 177.608 176.300 -0.056 0.000 0.961 608 D CA 0.694 54.675 54.000 -0.031 0.000 0.853 608 D CB 0.566 41.357 40.800 -0.015 0.000 0.967 608 D HN 0.522 nan 8.370 nan 0.000 0.496 609 I N 1.888 122.401 120.570 -0.096 0.000 2.355 609 I HA 0.086 4.257 4.170 0.001 0.000 0.288 609 I C 0.366 176.435 176.117 -0.080 0.000 0.999 609 I CA -0.828 60.401 61.300 -0.117 0.000 1.163 609 I CB 1.125 39.012 38.000 -0.189 0.000 1.316 609 I HN -0.224 nan 8.210 nan 0.000 0.454 610 N N 8.564 127.237 118.700 -0.045 0.000 2.142 610 N HA -0.085 4.655 4.740 0.001 0.000 0.282 610 N C -1.636 173.847 175.510 -0.045 0.000 1.342 610 N CA -0.476 52.560 53.050 -0.022 0.000 0.831 610 N CB 0.930 39.426 38.487 0.014 0.000 1.083 610 N HN 0.345 nan 8.380 nan 0.000 0.492 611 P HA -0.167 nan 4.420 nan 0.000 0.223 611 P C 0.888 178.137 177.300 -0.085 0.000 1.140 611 P CA 1.049 64.063 63.100 -0.143 0.000 0.783 611 P CB 0.290 31.829 31.700 -0.267 0.000 0.759 612 E N -0.412 119.777 120.200 -0.017 0.000 2.021 612 E HA -0.052 4.298 4.350 0.001 0.000 0.189 612 E C 0.288 176.814 176.600 -0.124 0.000 0.980 612 E CA 0.276 56.614 56.400 -0.102 0.000 0.803 612 E CB -0.142 29.546 29.700 -0.019 0.000 0.766 612 E HN -0.170 nan 8.360 nan 0.000 0.449 613 V N 2.181 122.071 119.914 -0.040 0.000 2.992 613 V HA -0.140 3.981 4.120 0.001 0.000 0.294 613 V C 0.236 176.326 176.094 -0.006 0.000 1.254 613 V CA 0.922 63.220 62.300 -0.004 0.000 1.359 613 V CB 0.771 32.587 31.823 -0.011 0.000 0.914 613 V HN 0.402 nan 8.190 nan 0.000 0.519 614 S N 5.310 121.040 115.700 0.050 0.000 2.536 614 S HA 0.910 5.381 4.470 0.001 0.000 0.298 614 S C -0.902 173.722 174.600 0.040 0.000 1.083 614 S CA -1.042 57.194 58.200 0.060 0.000 0.995 614 S CB 1.942 65.214 63.200 0.120 0.000 1.058 614 S HN 0.554 nan 8.310 nan 0.000 0.488 615 M N 2.285 121.891 119.600 0.009 0.000 2.326 615 M HA 0.562 5.042 4.480 0.001 0.000 0.292 615 M C -1.775 174.526 176.300 0.001 0.000 1.081 615 M CA -0.459 54.823 55.300 -0.031 0.000 0.919 615 M CB 1.792 34.355 32.600 -0.060 0.000 1.634 615 M HN 0.513 nan 8.290 nan 0.000 0.451 616 I N 1.968 122.535 120.570 -0.004 0.000 2.545 616 I HA 0.516 4.687 4.170 0.001 0.000 0.292 616 I C -0.438 175.699 176.117 0.033 0.000 1.040 616 I CA -0.485 60.833 61.300 0.030 0.000 1.068 616 I CB 2.151 40.184 38.000 0.055 0.000 1.251 616 I HN 0.658 nan 8.210 nan 0.000 0.424 617 R N 4.156 124.684 120.500 0.048 0.000 2.246 617 R HA 0.283 4.623 4.340 0.001 0.000 0.332 617 R C -0.887 175.452 176.300 0.065 0.000 0.974 617 R CA -0.358 55.777 56.100 0.058 0.000 0.837 617 R CB 0.616 30.952 30.300 0.059 0.000 1.145 617 R HN 0.595 nan 8.270 nan 0.000 0.467 618 D N 6.600 127.043 120.400 0.072 0.000 2.564 618 D HA 0.090 4.731 4.640 0.001 0.000 0.226 618 D C 1.427 177.774 176.300 0.078 0.000 1.149 618 D CA -0.118 53.926 54.000 0.073 0.000 0.994 618 D CB 0.476 41.322 40.800 0.077 0.000 1.029 618 D HN 0.631 nan 8.370 nan 0.000 0.517 619 I N 1.570 122.183 120.570 0.071 0.000 2.052 619 I HA -0.357 3.814 4.170 0.001 0.000 0.235 619 I C 2.316 178.477 176.117 0.072 0.000 1.046 619 I CA 1.158 62.501 61.300 0.072 0.000 1.308 619 I CB -0.143 37.894 38.000 0.062 0.000 1.031 619 I HN 0.228 nan 8.210 nan 0.000 0.395 620 R N 0.208 120.745 120.500 0.063 0.000 2.276 620 R HA -0.240 4.100 4.340 0.001 0.000 0.243 620 R C 1.760 178.101 176.300 0.069 0.000 1.161 620 R CA 1.368 57.503 56.100 0.059 0.000 1.007 620 R CB -0.304 30.025 30.300 0.049 0.000 0.867 620 R HN 0.374 nan 8.270 nan 0.000 0.472 621 E N 0.269 120.517 120.200 0.079 0.000 2.490 621 E HA 0.074 4.425 4.350 0.001 0.000 0.209 621 E C -0.636 176.036 176.600 0.120 0.000 0.971 621 E CA 0.030 56.486 56.400 0.094 0.000 0.988 621 E CB 0.485 30.238 29.700 0.089 0.000 1.029 621 E HN 0.036 nan 8.360 nan 0.000 0.496 622 K N 1.271 121.738 120.400 0.113 0.000 3.585 622 K HA -0.186 4.134 4.320 0.001 0.000 0.275 622 K C -1.065 175.616 176.600 0.134 0.000 1.026 622 K CA 0.871 57.232 56.287 0.124 0.000 0.800 622 K CB -1.372 31.212 32.500 0.140 0.000 1.401 622 K HN 0.235 nan 8.250 nan 0.000 0.453 623 E N 0.302 120.577 120.200 0.126 0.000 2.390 623 E HA 0.475 4.826 4.350 0.001 0.000 0.277 623 E C -1.444 175.229 176.600 0.121 0.000 0.939 623 E CA -1.186 55.298 56.400 0.140 0.000 0.769 623 E CB 1.877 31.696 29.700 0.199 0.000 1.251 623 E HN 0.052 nan 8.360 nan 0.000 0.450 624 L N 2.231 123.526 121.223 0.120 0.000 2.342 624 L HA 0.381 4.721 4.340 0.001 0.000 0.276 624 L C -1.315 175.604 176.870 0.083 0.000 0.997 624 L CA -0.512 54.374 54.840 0.077 0.000 0.838 624 L CB 0.902 42.991 42.059 0.050 0.000 1.224 624 L HN 0.305 nan 8.230 nan 0.000 0.416 625 K N 6.678 127.074 120.400 -0.006 0.000 2.265 625 K HA 0.577 4.898 4.320 0.001 0.000 0.267 625 K C -1.091 175.313 176.600 -0.326 0.000 0.994 625 K CA -0.340 55.832 56.287 -0.192 0.000 0.860 625 K CB 2.032 34.420 32.500 -0.186 0.000 1.099 625 K HN 0.571 nan 8.250 nan 0.000 0.448 626 I N 3.904 124.178 120.570 -0.494 0.000 2.534 626 I HA 0.380 4.550 4.170 0.001 0.000 0.288 626 I C -0.963 174.861 176.117 -0.488 0.000 1.077 626 I CA -0.750 60.336 61.300 -0.357 0.000 1.051 626 I CB 1.294 39.198 38.000 -0.160 0.000 1.234 626 I HN 0.409 nan 8.210 nan 0.000 0.425 627 F N 3.557 123.525 119.950 0.030 0.000 2.532 627 F HA 0.402 4.929 4.527 0.001 0.000 0.321 627 F C 1.015 176.825 175.800 0.016 0.000 1.089 627 F CA -0.428 57.589 58.000 0.029 0.000 0.926 627 F CB 2.364 41.375 39.000 0.019 0.000 1.168 627 F HN 0.304 nan 8.300 nan 0.000 0.459 628 T N -0.863 113.841 114.554 0.251 0.000 2.964 628 T HA -0.007 4.343 4.350 0.001 0.000 0.249 628 T C 0.074 174.851 174.700 0.128 0.000 1.000 628 T CA -0.089 62.095 62.100 0.140 0.000 0.992 628 T CB -0.095 68.835 68.868 0.103 0.000 1.087 628 T HN 0.542 nan 8.240 nan 0.000 0.489 629 D N 2.158 122.643 120.400 0.142 0.000 2.860 629 D HA -0.067 4.573 4.640 0.001 0.000 0.210 629 D C -0.049 176.283 176.300 0.054 0.000 1.139 629 D CA 0.518 54.562 54.000 0.074 0.000 0.821 629 D CB 0.420 41.218 40.800 -0.004 0.000 1.196 629 D HN 0.343 nan 8.370 nan 0.000 0.522 630 A N 2.071 124.918 122.820 0.046 0.000 2.316 630 A HA 0.560 4.880 4.320 0.001 0.000 0.311 630 A C 0.947 178.543 177.584 0.020 0.000 1.339 630 A CA 0.406 52.473 52.037 0.051 0.000 0.960 630 A CB 0.398 19.437 19.000 0.064 0.000 1.152 630 A HN 0.767 nan 8.150 nan 0.000 0.547 631 G N 2.477 111.288 108.800 0.018 0.000 2.207 631 G HA2 -0.081 3.879 3.960 0.001 0.000 0.193 631 G HA3 -0.081 3.879 3.960 0.001 0.000 0.193 631 G C -0.153 174.703 174.900 -0.074 0.000 1.050 631 G CA -0.787 44.297 45.100 -0.027 0.000 0.780 631 G HN 0.748 nan 8.290 nan 0.000 0.504 632 R N 0.548 121.041 120.500 -0.012 0.000 2.229 632 R HA 0.544 4.884 4.340 0.001 0.000 0.332 632 R C 0.250 176.575 176.300 0.041 0.000 0.989 632 R CA -0.669 55.414 56.100 -0.028 0.000 0.842 632 R CB 2.235 32.552 30.300 0.028 0.000 1.119 632 R HN 0.067 nan 8.270 nan 0.000 0.456 633 V N 5.198 125.064 119.914 -0.080 0.000 2.521 633 V HA 0.084 4.204 4.120 0.001 0.000 0.286 633 V C -0.376 175.780 176.094 0.102 0.000 1.034 633 V CA 0.131 62.411 62.300 -0.034 0.000 1.045 633 V CB -0.344 31.532 31.823 0.089 0.000 0.974 633 V HN 0.642 nan 8.190 nan 0.000 0.480 634 Y N 4.258 124.564 120.300 0.010 0.000 2.553 634 Y HA 0.877 5.427 4.550 0.001 0.000 0.347 634 Y C -0.341 175.535 175.900 -0.039 0.000 1.019 634 Y CA -1.697 56.406 58.100 0.005 0.000 1.032 634 Y CB 1.369 39.821 38.460 -0.014 0.000 1.284 634 Y HN 0.653 nan 8.280 nan 0.000 0.466 635 R N 1.439 122.063 120.500 0.206 0.000 3.006 635 R HA 0.801 5.142 4.340 0.001 0.000 0.235 635 R C -3.192 173.209 176.300 0.169 0.000 1.362 635 R CA -1.947 54.208 56.100 0.091 0.000 1.067 635 R CB 2.043 32.377 30.300 0.056 0.000 1.396 635 R HN 0.544 nan 8.270 nan 0.000 0.504 636 P HA 0.524 nan 4.420 nan 0.000 0.301 636 P C -1.206 176.127 177.300 0.055 0.000 1.361 636 P CA -0.753 62.461 63.100 0.190 0.000 0.994 636 P CB 2.401 34.182 31.700 0.134 0.000 1.234 637 L N 1.806 123.090 121.223 0.102 0.000 2.424 637 L HA 0.501 4.842 4.340 0.001 0.000 0.258 637 L C 0.007 176.990 176.870 0.188 0.000 0.995 637 L CA -1.060 53.817 54.840 0.061 0.000 0.821 637 L CB 2.377 44.496 42.059 0.100 0.000 1.383 637 L HN 0.309 nan 8.230 nan 0.000 0.410 638 F N 2.009 122.011 119.950 0.086 0.000 2.418 638 F HA 0.364 4.892 4.527 0.001 0.000 0.341 638 F C 0.436 176.256 175.800 0.033 0.000 1.120 638 F CA -0.606 57.407 58.000 0.021 0.000 1.232 638 F CB 1.070 40.063 39.000 -0.013 0.000 1.175 638 F HN 0.152 nan 8.300 nan 0.000 0.569 639 I N 2.936 123.583 120.570 0.127 0.000 2.437 639 I HA 0.132 4.302 4.170 0.001 0.000 0.298 639 I C 0.333 176.382 176.117 -0.113 0.000 0.984 639 I CA -0.406 60.829 61.300 -0.109 0.000 1.214 639 I CB 1.884 39.796 38.000 -0.147 0.000 1.365 639 I HN 0.416 nan 8.210 nan 0.000 0.469 640 V N 2.386 122.211 119.914 -0.148 0.000 3.621 640 V HA 0.043 4.164 4.120 0.001 0.000 0.263 640 V C 0.473 176.518 176.094 -0.081 0.000 1.272 640 V CA -0.034 62.220 62.300 -0.077 0.000 1.080 640 V CB -0.616 31.213 31.823 0.010 0.000 0.816 640 V HN 0.697 nan 8.190 nan 0.000 0.451 641 E N 3.009 123.147 120.200 -0.103 0.000 2.612 641 E HA -0.225 4.126 4.350 0.001 0.000 0.331 641 E C 1.041 177.603 176.600 -0.064 0.000 0.695 641 E CA 0.940 57.295 56.400 -0.075 0.000 1.220 641 E CB -0.039 29.616 29.700 -0.076 0.000 0.606 641 E HN 0.752 nan 8.360 nan 0.000 0.452 642 D N 2.214 122.585 120.400 -0.047 0.000 2.411 642 D HA -0.204 4.436 4.640 0.001 0.000 0.226 642 D C -0.228 176.041 176.300 -0.051 0.000 0.988 642 D CA 0.208 54.174 54.000 -0.057 0.000 0.938 642 D CB -0.027 40.759 40.800 -0.024 0.000 0.883 642 D HN 0.184 nan 8.370 nan 0.000 0.525 643 D N 1.712 122.088 120.400 -0.041 0.000 2.773 643 D HA -0.035 4.606 4.640 0.001 0.000 0.225 643 D C -0.146 176.134 176.300 -0.034 0.000 1.065 643 D CA 0.651 54.633 54.000 -0.029 0.000 1.308 643 D CB -0.240 40.545 40.800 -0.025 0.000 1.144 643 D HN 0.283 nan 8.370 nan 0.000 0.462 644 E N 0.058 120.235 120.200 -0.038 0.000 2.593 644 E HA 0.047 4.398 4.350 0.001 0.000 0.232 644 E C 0.778 177.371 176.600 -0.013 0.000 1.026 644 E CA -0.186 56.192 56.400 -0.037 0.000 0.772 644 E CB 0.936 30.591 29.700 -0.075 0.000 1.310 644 E HN 0.109 nan 8.360 nan 0.000 0.413 645 S N 2.082 117.780 115.700 -0.003 0.000 2.488 645 S HA -0.114 4.356 4.470 0.001 0.000 0.246 645 S C 1.230 175.839 174.600 0.015 0.000 0.992 645 S CA 0.588 58.792 58.200 0.007 0.000 0.963 645 S CB -0.112 63.092 63.200 0.006 0.000 0.754 645 S HN 0.468 nan 8.310 nan 0.000 0.519 646 L N 1.939 123.171 121.223 0.015 0.000 3.029 646 L HA 0.546 4.886 4.340 0.001 0.000 0.231 646 L C 1.049 177.952 176.870 0.054 0.000 1.327 646 L CA -0.067 54.790 54.840 0.028 0.000 1.166 646 L CB -0.321 41.752 42.059 0.022 0.000 1.532 646 L HN 0.588 nan 8.230 nan 0.000 0.473 647 G N -0.958 107.883 108.800 0.068 0.000 2.250 647 G HA2 -0.133 3.827 3.960 0.001 0.000 0.252 647 G HA3 -0.133 3.827 3.960 0.001 0.000 0.252 647 G C -0.202 174.789 174.900 0.152 0.000 1.325 647 G CA -0.235 44.949 45.100 0.140 0.000 1.091 647 G HN 0.298 nan 8.290 nan 0.000 0.476 648 H N 0.937 120.025 119.070 0.028 0.000 2.022 648 H HA 0.601 5.157 4.556 0.001 0.000 0.247 648 H C 0.599 175.949 175.328 0.036 0.000 1.663 648 H CA 0.852 56.921 56.048 0.036 0.000 1.440 648 H CB -0.472 29.321 29.762 0.051 0.000 1.744 648 H HN 0.581 nan 8.280 nan 0.000 0.639 649 K N -0.222 120.046 120.400 -0.219 0.000 2.118 649 K HA 0.305 4.625 4.320 0.001 0.000 0.264 649 K C -0.745 175.582 176.600 -0.455 0.000 1.000 649 K CA -0.197 55.968 56.287 -0.204 0.000 0.929 649 K CB 0.732 33.250 32.500 0.030 0.000 1.021 649 K HN 0.687 nan 8.250 nan 0.000 0.463 650 E N 2.143 122.197 120.200 -0.244 0.000 2.401 650 E HA 0.180 4.531 4.350 0.001 0.000 0.283 650 E C -1.633 174.891 176.600 -0.126 0.000 1.053 650 E CA -0.501 55.775 56.400 -0.207 0.000 0.842 650 E CB 0.557 30.097 29.700 -0.267 0.000 1.222 650 E HN 0.443 nan 8.360 nan 0.000 0.429 651 L N 4.694 125.850 121.223 -0.112 0.000 2.640 651 L HA 0.003 4.343 4.340 0.001 0.000 0.280 651 L C 1.578 178.352 176.870 -0.160 0.000 1.229 651 L CA 0.377 55.130 54.840 -0.146 0.000 0.919 651 L CB 0.284 42.222 42.059 -0.202 0.000 1.168 651 L HN 0.647 nan 8.230 nan 0.000 0.496 652 K N 2.193 122.491 120.400 -0.170 0.000 2.147 652 K HA -0.059 4.261 4.320 0.001 0.000 0.205 652 K C 0.414 176.906 176.600 -0.181 0.000 1.049 652 K CA 0.753 56.950 56.287 -0.150 0.000 0.936 652 K CB 0.050 32.459 32.500 -0.151 0.000 0.722 652 K HN 0.396 nan 8.250 nan 0.000 0.446 653 V N 2.513 122.239 119.914 -0.313 0.000 2.775 653 V HA 0.086 4.206 4.120 0.001 0.000 0.299 653 V C 0.399 176.448 176.094 -0.074 0.000 1.062 653 V CA -0.158 61.942 62.300 -0.334 0.000 1.063 653 V CB 1.165 32.655 31.823 -0.556 0.000 0.994 653 V HN 0.219 nan 8.190 nan 0.000 0.483 654 R N 2.246 122.891 120.500 0.242 0.000 2.808 654 R HA 0.368 4.708 4.340 0.001 0.000 0.272 654 R C 0.600 176.960 176.300 0.100 0.000 0.995 654 R CA -1.073 55.096 56.100 0.116 0.000 0.917 654 R CB 0.982 31.333 30.300 0.085 0.000 1.217 654 R HN 0.585 nan 8.270 nan 0.000 0.471 655 K N 0.603 121.030 120.400 0.044 0.000 2.520 655 K HA -0.151 4.169 4.320 0.001 0.000 0.198 655 K C 1.418 178.041 176.600 0.039 0.000 1.045 655 K CA 1.862 58.176 56.287 0.047 0.000 0.934 655 K CB -0.235 32.284 32.500 0.032 0.000 0.766 655 K HN 0.745 nan 8.250 nan 0.000 0.483 656 G N -0.905 107.893 108.800 -0.004 0.000 2.437 656 G HA2 -0.153 3.807 3.960 0.001 0.000 0.212 656 G HA3 -0.153 3.807 3.960 0.001 0.000 0.212 656 G C 1.022 175.904 174.900 -0.030 0.000 1.174 656 G CA 0.103 45.163 45.100 -0.067 0.000 0.811 656 G HN 0.315 nan 8.290 nan 0.000 0.537 657 H N 0.665 119.781 119.070 0.077 0.000 2.353 657 H HA -0.055 4.502 4.556 0.001 0.000 0.298 657 H C 2.619 178.111 175.328 0.273 0.000 1.103 657 H CA 1.359 57.534 56.048 0.213 0.000 1.293 657 H CB -0.077 29.771 29.762 0.144 0.000 1.372 657 H HN 0.295 nan 8.280 nan 0.000 0.501 658 I N 0.520 121.253 120.570 0.271 0.000 2.090 658 I HA -0.247 3.924 4.170 0.001 0.000 0.236 658 I C 2.809 179.043 176.117 0.195 0.000 1.064 658 I CA 1.091 62.521 61.300 0.217 0.000 1.324 658 I CB -0.397 37.697 38.000 0.156 0.000 1.044 658 I HN 0.152 nan 8.210 nan 0.000 0.399 659 A N 0.076 122.975 122.820 0.131 0.000 2.076 659 A HA -0.262 4.058 4.320 0.001 0.000 0.220 659 A C 2.244 179.893 177.584 0.109 0.000 1.160 659 A CA 1.648 53.744 52.037 0.098 0.000 0.653 659 A CB -0.559 18.470 19.000 0.048 0.000 0.801 659 A HN 0.381 nan 8.150 nan 0.000 0.455 660 K N -0.854 119.626 120.400 0.133 0.000 2.487 660 K HA 0.247 4.567 4.320 0.001 0.000 0.192 660 K C 1.263 178.063 176.600 0.333 0.000 1.027 660 K CA 0.179 56.528 56.287 0.104 0.000 1.054 660 K CB -0.091 32.335 32.500 -0.124 0.000 0.824 660 K HN 0.527 nan 8.250 nan 0.000 0.510 661 L N -0.452 120.990 121.223 0.365 0.000 2.347 661 L HA 0.115 4.455 4.340 0.001 0.000 0.196 661 L C 1.991 179.014 176.870 0.254 0.000 1.072 661 L CA 0.196 55.249 54.840 0.356 0.000 0.817 661 L CB -0.071 42.161 42.059 0.288 0.000 1.029 661 L HN 0.141 nan 8.230 nan 0.000 0.478 662 M N -0.109 119.620 119.600 0.215 0.000 2.629 662 M HA -0.136 4.344 4.480 0.001 0.000 0.257 662 M C 2.020 178.428 176.300 0.181 0.000 1.071 662 M CA 1.117 56.529 55.300 0.187 0.000 1.077 662 M CB -0.338 32.353 32.600 0.152 0.000 1.423 662 M HN 0.311 nan 8.290 nan 0.000 0.508 663 A N -0.344 122.583 122.820 0.177 0.000 1.975 663 A HA -0.035 4.286 4.320 0.001 0.000 0.215 663 A C 2.098 179.805 177.584 0.205 0.000 1.170 663 A CA 1.311 53.448 52.037 0.167 0.000 0.656 663 A CB -0.494 18.577 19.000 0.118 0.000 0.821 663 A HN 0.382 nan 8.150 nan 0.000 0.449 664 T N -0.533 114.146 114.554 0.209 0.000 3.014 664 T HA -0.003 4.347 4.350 0.001 0.000 0.263 664 T C 1.673 176.481 174.700 0.180 0.000 1.078 664 T CA 0.943 63.159 62.100 0.193 0.000 1.135 664 T CB -0.004 68.993 68.868 0.215 0.000 0.895 664 T HN 0.528 nan 8.240 nan 0.000 0.480 665 E N 0.424 120.744 120.200 0.200 0.000 2.051 665 E HA -0.140 4.210 4.350 0.001 0.000 0.192 665 E C 1.851 178.562 176.600 0.185 0.000 0.991 665 E CA 0.967 57.478 56.400 0.184 0.000 0.799 665 E CB -0.209 29.607 29.700 0.194 0.000 0.748 665 E HN 0.496 nan 8.360 nan 0.000 0.449 666 Y N 1.800 122.146 120.300 0.077 0.000 2.256 666 Y HA -0.179 4.371 4.550 0.001 0.000 0.288 666 Y C 1.158 177.087 175.900 0.049 0.000 1.155 666 Y CA 1.339 59.474 58.100 0.057 0.000 1.203 666 Y CB 0.001 38.493 38.460 0.054 0.000 0.980 666 Y HN -0.021 nan 8.280 nan 0.000 0.530 667 Q N 1.613 121.418 119.800 0.008 0.000 2.945 667 Q HA 0.094 4.434 4.340 0.001 0.000 0.323 667 Q C -0.834 175.132 176.000 -0.057 0.000 1.188 667 Q CA 0.087 55.843 55.803 -0.077 0.000 0.929 667 Q CB -0.107 28.641 28.738 0.018 0.000 1.531 667 Q HN 0.400 nan 8.270 nan 0.000 0.444 679 Y N 4.113 124.468 120.300 0.092 0.000 2.717 679 Y HA 0.371 4.922 4.550 0.001 0.000 0.329 679 Y C 0.494 176.473 175.900 0.130 0.000 1.017 679 Y CA -0.498 57.661 58.100 0.099 0.000 1.275 679 Y CB 0.351 38.870 38.460 0.098 0.000 1.109 679 Y HN 0.209 nan 8.280 nan 0.000 0.511 680 T N 1.065 115.677 114.554 0.096 0.000 3.133 680 T HA 0.009 4.359 4.350 0.001 0.000 0.329 680 T C 1.179 175.914 174.700 0.059 0.000 1.248 680 T CA -0.229 61.934 62.100 0.106 0.000 0.933 680 T CB 0.243 69.206 68.868 0.158 0.000 1.943 680 T HN 0.728 nan 8.240 nan 0.000 0.572 681 W N 0.142 121.448 121.300 0.010 0.000 2.501 681 W HA -0.003 4.658 4.660 0.001 0.000 0.309 681 W C 2.376 178.891 176.519 -0.007 0.000 1.165 681 W CA 0.928 58.289 57.345 0.027 0.000 1.381 681 W CB -0.670 28.878 29.460 0.147 0.000 1.142 681 W HN 0.610 nan 8.180 nan 0.000 0.509 682 S N 0.949 116.736 115.700 0.146 0.000 2.434 682 S HA -0.301 4.170 4.470 0.001 0.000 0.243 682 S C 2.003 176.531 174.600 -0.120 0.000 1.045 682 S CA 2.410 60.619 58.200 0.016 0.000 1.019 682 S CB -0.479 62.787 63.200 0.110 0.000 0.811 682 S HN 0.520 nan 8.310 nan 0.000 0.485 683 S N 1.359 116.980 115.700 -0.131 0.000 2.335 683 S HA 0.008 4.479 4.470 0.001 0.000 0.217 683 S C 1.727 176.169 174.600 -0.264 0.000 1.032 683 S CA 1.012 59.135 58.200 -0.129 0.000 0.985 683 S CB -0.793 62.358 63.200 -0.083 0.000 0.896 683 S HN 0.417 nan 8.310 nan 0.000 0.445 684 L N 0.843 121.787 121.223 -0.465 0.000 2.351 684 L HA -0.040 4.301 4.340 0.001 0.000 0.220 684 L C 2.432 178.989 176.870 -0.521 0.000 1.127 684 L CA 0.904 55.429 54.840 -0.525 0.000 0.786 684 L CB -0.653 40.998 42.059 -0.681 0.000 0.914 684 L HN 0.358 nan 8.230 nan 0.000 0.443 685 L N -1.160 119.741 121.223 -0.538 0.000 2.221 685 L HA 0.097 4.437 4.340 0.001 0.000 0.202 685 L C 1.794 178.504 176.870 -0.267 0.000 1.074 685 L CA 1.426 55.993 54.840 -0.454 0.000 0.795 685 L CB -0.406 41.348 42.059 -0.508 0.000 0.960 685 L HN 0.162 nan 8.230 nan 0.000 0.458 686 N N 0.372 118.957 118.700 -0.191 0.000 2.383 686 N HA -0.015 4.725 4.740 0.001 0.000 0.192 686 N C 0.350 175.813 175.510 -0.078 0.000 1.141 686 N CA 0.347 53.331 53.050 -0.109 0.000 0.851 686 N CB 0.203 38.654 38.487 -0.060 0.000 0.976 686 N HN 0.554 nan 8.380 nan 0.000 0.465 687 E N -0.207 119.930 120.200 -0.104 0.000 2.734 687 E HA 0.155 4.506 4.350 0.001 0.000 0.211 687 E C -0.069 176.466 176.600 -0.108 0.000 0.991 687 E CA -0.473 55.889 56.400 -0.063 0.000 1.065 687 E CB 0.372 30.064 29.700 -0.012 0.000 1.047 687 E HN 0.178 nan 8.360 nan 0.000 0.470 688 G N 1.827 110.549 108.800 -0.130 0.000 2.266 688 G HA2 -0.250 3.710 3.960 0.001 0.000 0.269 688 G HA3 -0.250 3.710 3.960 0.001 0.000 0.269 688 G C 0.437 175.246 174.900 -0.152 0.000 0.863 688 G CA 0.586 45.607 45.100 -0.132 0.000 1.268 688 G HN 0.375 nan 8.290 nan 0.000 0.426 689 L N -0.853 120.249 121.223 -0.200 0.000 2.948 689 L HA 0.317 4.657 4.340 0.001 0.000 0.259 689 L C 0.358 177.152 176.870 -0.125 0.000 1.136 689 L CA 0.027 54.735 54.840 -0.219 0.000 0.959 689 L CB 0.729 42.576 42.059 -0.353 0.000 1.370 689 L HN 0.232 nan 8.230 nan 0.000 0.552 690 V N -0.262 119.567 119.914 -0.141 0.000 2.888 690 V HA 0.400 4.520 4.120 0.001 0.000 0.309 690 V C -1.014 175.026 176.094 -0.091 0.000 1.114 690 V CA -0.678 61.592 62.300 -0.050 0.000 0.940 690 V CB 3.032 34.763 31.823 -0.152 0.000 1.021 690 V HN 0.034 nan 8.190 nan 0.000 0.426 691 E N 1.372 121.599 120.200 0.045 0.000 2.336 691 E HA 0.496 4.847 4.350 0.001 0.000 0.267 691 E C -1.657 175.043 176.600 0.167 0.000 0.906 691 E CA -0.800 55.614 56.400 0.024 0.000 0.781 691 E CB 2.431 32.197 29.700 0.110 0.000 1.261 691 E HN 0.724 nan 8.360 nan 0.000 0.436 692 Y N 2.652 122.959 120.300 0.011 0.000 2.650 692 Y HA 0.291 4.841 4.550 0.001 0.000 0.343 692 Y C 0.045 175.926 175.900 -0.032 0.000 1.078 692 Y CA -0.646 57.451 58.100 -0.005 0.000 1.356 692 Y CB 0.395 38.714 38.460 -0.235 0.000 1.204 692 Y HN 0.221 nan 8.280 nan 0.000 0.508 693 I N 5.118 125.798 120.570 0.183 0.000 2.297 693 I HA 0.035 4.205 4.170 0.001 0.000 0.291 693 I C 0.253 176.468 176.117 0.163 0.000 1.033 693 I CA -0.614 60.744 61.300 0.096 0.000 1.253 693 I CB 0.420 38.407 38.000 -0.022 0.000 1.396 693 I HN 0.633 nan 8.210 nan 0.000 0.476 694 D N 6.067 126.566 120.400 0.164 0.000 2.376 694 D HA 0.135 4.775 4.640 0.001 0.000 0.268 694 D C 1.051 177.461 176.300 0.183 0.000 1.252 694 D CA -0.380 53.741 54.000 0.203 0.000 1.041 694 D CB 0.720 41.627 40.800 0.178 0.000 1.109 694 D HN 0.425 nan 8.370 nan 0.000 0.552 695 A N -0.809 122.132 122.820 0.202 0.000 1.930 695 A HA -0.109 4.211 4.320 0.001 0.000 0.215 695 A C 2.061 179.792 177.584 0.244 0.000 1.176 695 A CA 1.716 53.901 52.037 0.246 0.000 0.632 695 A CB -0.858 18.335 19.000 0.321 0.000 0.819 695 A HN 0.615 nan 8.150 nan 0.000 0.445 696 E N 0.348 120.658 120.200 0.183 0.000 2.038 696 E HA -0.222 4.128 4.350 0.001 0.000 0.195 696 E C 1.928 178.617 176.600 0.148 0.000 1.000 696 E CA 1.919 58.407 56.400 0.147 0.000 0.803 696 E CB -0.252 29.525 29.700 0.128 0.000 0.750 696 E HN 0.683 nan 8.360 nan 0.000 0.448 697 E N -0.166 120.114 120.200 0.134 0.000 2.150 697 E HA -0.204 4.146 4.350 0.001 0.000 0.193 697 E C 1.916 178.566 176.600 0.082 0.000 0.985 697 E CA 0.864 57.323 56.400 0.098 0.000 0.814 697 E CB -0.087 29.659 29.700 0.076 0.000 0.752 697 E HN 0.354 nan 8.360 nan 0.000 0.466 698 E N 0.450 120.706 120.200 0.093 0.000 2.219 698 E HA -0.256 4.095 4.350 0.001 0.000 0.198 698 E C 1.798 178.449 176.600 0.084 0.000 0.998 698 E CA 0.949 57.394 56.400 0.076 0.000 0.818 698 E CB 0.132 29.902 29.700 0.116 0.000 0.741 698 E HN 0.169 nan 8.360 nan 0.000 0.477 699 E N 0.349 120.621 120.200 0.120 0.000 2.058 699 E HA -0.143 4.208 4.350 0.001 0.000 0.194 699 E C 1.328 177.979 176.600 0.085 0.000 0.997 699 E CA 1.422 57.895 56.400 0.120 0.000 0.801 699 E CB -0.155 29.640 29.700 0.158 0.000 0.746 699 E HN 0.247 nan 8.360 nan 0.000 0.450 700 S N 0.537 116.285 115.700 0.081 0.000 2.738 700 S HA 0.439 4.910 4.470 0.001 0.000 0.227 700 S C 0.567 175.213 174.600 0.077 0.000 1.311 700 S CA -0.630 57.614 58.200 0.072 0.000 1.249 700 S CB -0.977 62.266 63.200 0.072 0.000 1.030 700 S HN 0.289 nan 8.310 nan 0.000 0.512 701 I N -2.287 118.328 120.570 0.075 0.000 3.149 701 I HA 0.756 4.926 4.170 0.001 0.000 0.310 701 I C -2.199 173.977 176.117 0.099 0.000 1.343 701 I CA -1.566 59.798 61.300 0.107 0.000 0.955 701 I CB 1.580 39.642 38.000 0.105 0.000 1.309 701 I HN 0.205 nan 8.210 nan 0.000 0.478 702 L N 3.252 124.563 121.223 0.147 0.000 2.323 702 L HA 0.791 5.131 4.340 0.001 0.000 0.265 702 L C -1.345 175.665 176.870 0.233 0.000 1.012 702 L CA -0.661 54.269 54.840 0.151 0.000 0.820 702 L CB 1.886 44.018 42.059 0.123 0.000 1.334 702 L HN 0.647 nan 8.230 nan 0.000 0.427 703 I N 2.119 122.825 120.570 0.226 0.000 2.802 703 I HA 0.687 4.858 4.170 0.001 0.000 0.298 703 I C -0.677 175.491 176.117 0.086 0.000 1.176 703 I CA -0.941 60.463 61.300 0.172 0.000 1.025 703 I CB 2.091 40.129 38.000 0.063 0.000 1.243 703 I HN 0.759 nan 8.210 nan 0.000 0.424 704 A N 4.105 126.861 122.820 -0.106 0.000 2.306 704 A HA 0.591 4.911 4.320 0.001 0.000 0.314 704 A C 0.387 177.839 177.584 -0.220 0.000 1.164 704 A CA -0.440 51.348 52.037 -0.415 0.000 0.822 704 A CB 1.286 19.884 19.000 -0.670 0.000 1.130 704 A HN 0.803 nan 8.150 nan 0.000 0.496 705 M N 0.839 120.304 119.600 -0.224 0.000 2.074 705 M HA 0.009 4.490 4.480 0.001 0.000 0.258 705 M C 0.846 177.041 176.300 -0.174 0.000 1.083 705 M CA 1.929 57.124 55.300 -0.174 0.000 1.128 705 M CB -0.305 32.188 32.600 -0.178 0.000 1.301 705 M HN 0.748 nan 8.290 nan 0.000 0.417 706 Q N 0.401 120.096 119.800 -0.176 0.000 2.282 706 Q HA 0.247 4.587 4.340 0.001 0.000 0.260 706 Q C -1.842 174.087 176.000 -0.118 0.000 0.964 706 Q CA -1.873 53.850 55.803 -0.132 0.000 0.880 706 Q CB 1.323 29.994 28.738 -0.112 0.000 1.286 706 Q HN 0.192 nan 8.270 nan 0.000 0.445 707 P HA -0.260 nan 4.420 nan 0.000 0.216 707 P C 0.081 177.352 177.300 -0.048 0.000 1.150 707 P CA 1.541 64.630 63.100 -0.019 0.000 0.837 707 P CB 0.479 32.216 31.700 0.063 0.000 0.786 708 E N -0.037 120.136 120.200 -0.045 0.000 2.928 708 E HA -0.054 4.296 4.350 0.001 0.000 0.352 708 E C 1.576 178.109 176.600 -0.112 0.000 0.523 708 E CA -0.401 55.968 56.400 -0.052 0.000 2.011 708 E CB -1.219 28.465 29.700 -0.027 0.000 1.898 708 E HN -0.146 nan 8.360 nan 0.000 0.516 709 D N 0.739 121.067 120.400 -0.121 0.000 7.136 709 D HA -0.240 4.401 4.640 0.001 0.000 0.223 709 D C 1.348 177.461 176.300 -0.312 0.000 1.984 709 D CA 1.798 55.684 54.000 -0.189 0.000 0.688 709 D CB -0.313 40.413 40.800 -0.123 0.000 0.682 709 D HN 0.279 nan 8.370 nan 0.000 0.940 710 L N 0.529 121.614 121.223 -0.230 0.000 2.998 710 L HA 0.147 4.488 4.340 0.001 0.000 0.234 710 L C 1.255 178.037 176.870 -0.147 0.000 1.350 710 L CA 0.040 54.757 54.840 -0.205 0.000 1.202 710 L CB 0.175 42.050 42.059 -0.307 0.000 1.583 710 L HN -0.035 nan 8.230 nan 0.000 0.456 711 E N -0.598 119.543 120.200 -0.098 0.000 3.383 711 E HA 0.156 4.506 4.350 0.001 0.000 0.256 711 E C -1.780 174.887 176.600 0.111 0.000 1.197 711 E CA -0.064 56.396 56.400 0.099 0.000 1.851 711 E CB -0.282 29.471 29.700 0.088 0.000 2.128 711 E HN 0.257 nan 8.360 nan 0.000 0.951 712 P HA 0.117 nan 4.420 nan 0.000 0.281 712 P C -0.173 177.094 177.300 -0.055 0.000 1.274 712 P CA 0.195 63.241 63.100 -0.090 0.000 0.794 712 P CB 0.480 32.135 31.700 -0.074 0.000 1.201 713 A N -0.721 122.063 122.820 -0.060 0.000 2.257 713 A HA 0.330 4.650 4.320 0.001 0.000 0.290 713 A C 0.037 177.685 177.584 0.107 0.000 1.201 713 A CA -0.385 51.664 52.037 0.020 0.000 0.863 713 A CB 0.022 19.001 19.000 -0.036 0.000 1.256 713 A HN 0.627 nan 8.150 nan 0.000 0.506 714 E N -0.547 119.710 120.200 0.096 0.000 2.235 714 E HA 0.540 4.891 4.350 0.001 0.000 0.252 714 E C -0.509 176.118 176.600 0.044 0.000 0.886 714 E CA -0.538 55.917 56.400 0.091 0.000 0.767 714 E CB 1.185 30.933 29.700 0.081 0.000 1.205 714 E HN 0.838 nan 8.360 nan 0.000 0.421 723 V N 3.063 122.991 119.914 0.023 0.000 2.417 723 V HA 0.257 4.377 4.120 0.001 0.000 0.291 723 V C 0.067 176.176 176.094 0.025 0.000 1.024 723 V CA -0.837 61.478 62.300 0.025 0.000 0.861 723 V CB 2.155 33.994 31.823 0.026 0.000 0.985 723 V HN 0.019 nan 8.190 nan 0.000 0.436 724 D N 6.808 127.224 120.400 0.028 0.000 2.648 724 D HA -0.005 4.635 4.640 0.001 0.000 0.229 724 D C -1.329 174.988 176.300 0.028 0.000 1.119 724 D CA -0.196 53.821 54.000 0.029 0.000 0.850 724 D CB 1.574 42.394 40.800 0.034 0.000 1.169 724 D HN 0.424 nan 8.370 nan 0.000 0.489 725 P HA 0.106 nan 4.420 nan 0.000 0.257 725 P C 0.125 177.440 177.300 0.024 0.000 1.281 725 P CA 0.110 63.223 63.100 0.023 0.000 0.826 725 P CB 0.667 32.378 31.700 0.020 0.000 1.237 726 A N -0.156 122.681 122.820 0.028 0.000 1.997 726 A HA 0.165 4.485 4.320 0.001 0.000 0.198 726 A C 1.301 178.907 177.584 0.036 0.000 1.449 726 A CA 0.217 52.272 52.037 0.029 0.000 0.908 726 A CB -0.100 18.917 19.000 0.028 0.000 0.984 726 A HN 0.023 nan 8.150 nan 0.000 0.487 727 K N 0.762 121.187 120.400 0.041 0.000 2.191 727 K HA 0.093 4.413 4.320 0.001 0.000 0.244 727 K C 0.803 177.433 176.600 0.049 0.000 1.083 727 K CA 0.338 56.656 56.287 0.051 0.000 0.800 727 K CB 0.126 32.657 32.500 0.053 0.000 1.088 727 K HN 0.613 nan 8.250 nan 0.000 0.525 728 R N -0.066 120.466 120.500 0.054 0.000 2.542 728 R HA 0.382 4.722 4.340 0.001 0.000 0.227 728 R C -0.025 176.297 176.300 0.037 0.000 1.257 728 R CA -0.476 55.651 56.100 0.045 0.000 1.053 728 R CB 0.130 30.459 30.300 0.048 0.000 1.463 728 R HN 0.421 nan 8.270 nan 0.000 0.550 729 I N 1.083 121.672 120.570 0.032 0.000 2.583 729 I HA 0.318 4.489 4.170 0.001 0.000 0.276 729 I C -0.473 175.658 176.117 0.023 0.000 1.089 729 I CA -0.554 60.762 61.300 0.027 0.000 1.103 729 I CB 1.524 39.540 38.000 0.026 0.000 1.209 729 I HN 0.494 nan 8.210 nan 0.000 0.484 730 R N 3.282 123.794 120.500 0.021 0.000 2.390 730 R HA 0.421 4.761 4.340 0.001 0.000 0.291 730 R C 0.636 176.945 176.300 0.015 0.000 1.070 730 R CA -0.461 55.645 56.100 0.011 0.000 1.014 730 R CB 1.728 32.028 30.300 0.000 0.000 1.007 730 R HN 0.307 nan 8.270 nan 0.000 0.466 731 V N 1.309 121.232 119.914 0.014 0.000 2.747 731 V HA -0.129 3.991 4.120 0.001 0.000 0.147 731 V C 0.791 176.894 176.094 0.016 0.000 0.734 731 V CA 0.778 63.093 62.300 0.024 0.000 1.291 731 V CB -0.031 31.811 31.823 0.032 0.000 0.874 731 V HN 0.787 nan 8.190 nan 0.000 0.384 732 S N -0.996 114.699 115.700 -0.008 0.000 2.811 732 S HA 0.479 4.949 4.470 0.001 0.000 0.311 732 S C -0.354 174.253 174.600 0.012 0.000 1.152 732 S CA -0.380 57.769 58.200 -0.085 0.000 0.864 732 S CB 1.268 64.125 63.200 -0.571 0.000 1.226 732 S HN 0.846 nan 8.310 nan 0.000 0.541 733 H N 0.188 119.147 119.070 -0.186 0.000 2.507 733 H HA 0.316 4.872 4.556 0.001 0.000 0.281 733 H C -0.654 174.720 175.328 0.075 0.000 1.160 733 H CA -0.448 55.630 56.048 0.051 0.000 0.981 733 H CB -1.027 28.779 29.762 0.074 0.000 1.665 733 H HN 0.454 nan 8.280 nan 0.000 0.554 734 H N 2.069 121.147 119.070 0.014 0.000 3.792 734 H HA 0.491 5.048 4.556 0.001 0.000 0.229 734 H C 0.101 175.387 175.328 -0.069 0.000 1.632 734 H CA 0.538 56.547 56.048 -0.063 0.000 1.522 734 H CB -0.693 29.033 29.762 -0.061 0.000 1.822 734 H HN 0.734 nan 8.280 nan 0.000 0.672 735 A N 0.971 123.781 122.820 -0.017 0.000 2.599 735 A HA 0.276 4.597 4.320 0.001 0.000 0.306 735 A C -0.205 177.141 177.584 -0.396 0.000 1.014 735 A CA -0.778 51.098 52.037 -0.268 0.000 0.784 735 A CB 0.514 19.225 19.000 -0.482 0.000 1.229 735 A HN 0.250 nan 8.150 nan 0.000 0.398 736 T N 2.587 116.979 114.554 -0.271 0.000 3.427 736 T HA 0.494 4.844 4.350 0.001 0.000 0.306 736 T C 0.511 175.106 174.700 -0.175 0.000 1.733 736 T CA 0.548 62.560 62.100 -0.145 0.000 1.599 736 T CB 0.000 68.866 68.868 -0.004 0.000 0.964 736 T HN 0.818 nan 8.240 nan 0.000 0.701 737 T N -0.753 113.595 114.554 -0.344 0.000 3.074 737 T HA 0.219 4.570 4.350 0.001 0.000 0.258 737 T C 0.584 175.234 174.700 -0.084 0.000 0.891 737 T CA -0.480 61.509 62.100 -0.185 0.000 0.867 737 T CB -0.207 68.549 68.868 -0.186 0.000 1.261 737 T HN 0.469 nan 8.240 nan 0.000 0.537 738 F N 4.271 124.246 119.950 0.042 0.000 2.117 738 F HA -0.139 4.388 4.527 0.001 0.000 0.413 738 F C 2.173 177.988 175.800 0.025 0.000 0.938 738 F CA 0.356 58.383 58.000 0.045 0.000 0.946 738 F CB -0.317 38.711 39.000 0.047 0.000 0.763 738 F HN 0.245 nan 8.300 nan 0.000 0.493 739 T N -0.468 114.220 114.554 0.222 0.000 2.851 739 T HA -0.022 4.328 4.350 0.001 0.000 0.262 739 T C 0.321 174.936 174.700 -0.141 0.000 1.043 739 T CA 0.961 63.103 62.100 0.070 0.000 1.140 739 T CB -0.113 68.882 68.868 0.211 0.000 0.872 739 T HN 0.543 nan 8.240 nan 0.000 0.446 740 H N -1.191 117.958 119.070 0.132 0.000 2.907 740 H HA 0.761 5.317 4.556 0.001 0.000 0.361 740 H C -1.184 174.199 175.328 0.092 0.000 1.194 740 H CA -1.248 54.867 56.048 0.111 0.000 1.152 740 H CB 1.622 31.442 29.762 0.096 0.000 1.867 740 H HN 0.341 nan 8.280 nan 0.000 0.561 741 C N 1.050 120.487 119.300 0.229 0.000 2.782 741 C HA 0.377 4.838 4.460 0.001 0.000 0.328 741 C C -0.507 174.516 174.990 0.055 0.000 1.145 741 C CA -0.519 58.563 59.018 0.107 0.000 1.358 741 C CB 0.608 28.400 27.740 0.086 0.000 1.841 741 C HN 0.943 nan 8.230 nan 0.000 0.477 742 E N 3.680 123.864 120.200 -0.027 0.000 2.417 742 E HA 0.099 4.450 4.350 0.001 0.000 0.261 742 E C 1.381 177.829 176.600 -0.253 0.000 1.000 742 E CA 0.028 56.363 56.400 -0.108 0.000 0.919 742 E CB 0.427 30.102 29.700 -0.041 0.000 0.955 742 E HN 0.514 nan 8.360 nan 0.000 0.455 743 I N 2.467 122.760 120.570 -0.462 0.000 2.087 743 I HA -0.227 3.943 4.170 0.001 0.000 0.240 743 I C 0.924 176.875 176.117 -0.276 0.000 1.054 743 I CA 1.792 62.724 61.300 -0.614 0.000 1.311 743 I CB -1.202 36.480 38.000 -0.530 0.000 1.024 743 I HN 0.616 nan 8.210 nan 0.000 0.402 744 H N 0.019 118.893 119.070 -0.328 0.000 3.085 744 H HA 0.262 4.818 4.556 0.001 0.000 0.356 744 H C -2.034 173.214 175.328 -0.133 0.000 1.178 744 H CA -1.041 54.834 56.048 -0.288 0.000 1.214 744 H CB 2.412 31.853 29.762 -0.534 0.000 1.881 744 H HN -0.276 nan 8.280 nan 0.000 0.538 745 P HA -0.141 nan 4.420 nan 0.000 0.216 745 P C 1.040 178.434 177.300 0.157 0.000 1.153 745 P CA 1.631 64.642 63.100 -0.149 0.000 0.844 745 P CB 0.073 31.481 31.700 -0.488 0.000 0.787 746 S N -1.334 114.660 115.700 0.490 0.000 2.609 746 S HA -0.068 4.403 4.470 0.001 0.000 0.250 746 S C 1.438 176.193 174.600 0.259 0.000 0.974 746 S CA 0.676 59.185 58.200 0.516 0.000 0.962 746 S CB -1.084 62.480 63.200 0.607 0.000 0.756 746 S HN -0.049 nan 8.310 nan 0.000 0.539 747 M N 1.079 120.762 119.600 0.140 0.000 2.431 747 M HA 0.371 4.852 4.480 0.001 0.000 0.237 747 M C 1.406 177.670 176.300 -0.060 0.000 1.130 747 M CA -0.175 55.160 55.300 0.057 0.000 1.002 747 M CB -0.819 31.797 32.600 0.028 0.000 1.524 747 M HN 0.560 nan 8.290 nan 0.000 0.482 748 I N -2.296 118.178 120.570 -0.160 0.000 2.716 748 I HA -0.009 4.161 4.170 0.001 0.000 0.259 748 I C 0.951 176.945 176.117 -0.206 0.000 1.172 748 I CA 0.201 61.286 61.300 -0.358 0.000 1.478 748 I CB -0.375 37.199 38.000 -0.709 0.000 1.104 748 I HN -0.007 nan 8.210 nan 0.000 0.439 749 L N 1.670 122.834 121.223 -0.098 0.000 2.474 749 L HA 0.428 4.769 4.340 0.001 0.000 0.259 749 L C 0.682 177.521 176.870 -0.053 0.000 1.232 749 L CA -0.060 54.738 54.840 -0.069 0.000 0.821 749 L CB 0.175 42.212 42.059 -0.037 0.000 1.108 749 L HN 0.198 nan 8.230 nan 0.000 0.495 750 G N -0.980 107.786 108.800 -0.057 0.000 2.533 750 G HA2 0.469 4.430 3.960 0.001 0.000 0.304 750 G HA3 0.469 4.430 3.960 0.001 0.000 0.304 750 G C 0.677 175.545 174.900 -0.054 0.000 1.263 750 G CA -0.448 44.623 45.100 -0.049 0.000 0.964 750 G HN 0.473 nan 8.290 nan 0.000 0.479 751 V N 1.454 121.336 119.914 -0.053 0.000 2.308 751 V HA -0.432 3.688 4.120 0.001 0.000 0.251 751 V C 3.270 179.317 176.094 -0.078 0.000 1.055 751 V CA 3.391 65.650 62.300 -0.067 0.000 1.105 751 V CB -1.796 29.988 31.823 -0.065 0.000 0.785 751 V HN 1.152 nan 8.190 nan 0.000 0.479 752 A N 0.656 123.435 122.820 -0.069 0.000 1.863 752 A HA -0.227 4.094 4.320 0.001 0.000 0.218 752 A C 2.490 180.017 177.584 -0.094 0.000 1.233 752 A CA 4.037 56.031 52.037 -0.072 0.000 0.655 752 A CB -1.444 17.524 19.000 -0.054 0.000 0.839 752 A HN 1.215 nan 8.150 nan 0.000 0.454 753 A N -0.821 121.949 122.820 -0.083 0.000 1.948 753 A HA -0.130 4.190 4.320 0.001 0.000 0.220 753 A C 2.264 179.781 177.584 -0.113 0.000 1.177 753 A CA 2.214 54.196 52.037 -0.092 0.000 0.636 753 A CB -1.025 17.929 19.000 -0.078 0.000 0.815 753 A HN 0.572 nan 8.150 nan 0.000 0.449 754 S N -0.625 115.012 115.700 -0.106 0.000 2.584 754 S HA 0.003 4.473 4.470 0.001 0.000 0.240 754 S C 1.338 175.825 174.600 -0.189 0.000 0.975 754 S CA 1.195 59.328 58.200 -0.112 0.000 0.949 754 S CB -0.434 62.720 63.200 -0.077 0.000 0.761 754 S HN 0.617 nan 8.310 nan 0.000 0.536 755 I N 0.222 120.651 120.570 -0.234 0.000 3.526 755 I HA 0.179 4.349 4.170 0.001 0.000 0.294 755 I C 0.269 176.219 176.117 -0.277 0.000 1.229 755 I CA 0.098 61.187 61.300 -0.351 0.000 1.408 755 I CB 0.034 37.794 38.000 -0.400 0.000 1.127 755 I HN 0.128 nan 8.210 nan 0.000 0.439 756 I N 4.893 125.330 120.570 -0.222 0.000 2.668 756 I HA 0.028 4.198 4.170 0.001 0.000 0.285 756 I C -2.005 173.984 176.117 -0.213 0.000 1.168 756 I CA -1.303 59.858 61.300 -0.232 0.000 1.424 756 I CB -0.186 37.702 38.000 -0.187 0.000 1.377 756 I HN -0.108 nan 8.210 nan 0.000 0.560 757 P HA 0.125 nan 4.420 nan 0.000 0.282 757 P C 0.070 177.346 177.300 -0.040 0.000 1.249 757 P CA -0.309 62.635 63.100 -0.259 0.000 0.806 757 P CB 0.573 32.111 31.700 -0.271 0.000 0.984 758 F N -0.534 119.461 119.950 0.076 0.000 3.082 758 F HA -0.206 4.322 4.527 0.001 0.000 0.272 758 F C -0.617 175.274 175.800 0.152 0.000 0.936 758 F CA -0.268 57.835 58.000 0.171 0.000 0.920 758 F CB -1.798 37.317 39.000 0.191 0.000 0.901 758 F HN 0.366 nan 8.300 nan 0.000 0.695 759 P HA -0.236 nan 4.420 nan 0.000 0.218 759 P C 0.715 178.028 177.300 0.022 0.000 1.147 759 P CA 2.191 65.318 63.100 0.046 0.000 0.827 759 P CB -0.186 31.469 31.700 -0.075 0.000 0.778 760 D N -1.413 118.964 120.400 -0.037 0.000 2.663 760 D HA -0.071 4.569 4.640 0.001 0.000 0.243 760 D C 0.481 176.610 176.300 -0.287 0.000 1.218 760 D CA -0.006 53.902 54.000 -0.153 0.000 0.846 760 D CB -0.863 39.794 40.800 -0.238 0.000 1.014 760 D HN 0.381 nan 8.370 nan 0.000 0.476 761 H N -0.392 118.719 119.070 0.068 0.000 3.334 761 H HA 0.200 4.757 4.556 0.001 0.000 0.256 761 H C -0.441 174.920 175.328 0.055 0.000 1.162 761 H CA -0.455 55.626 56.048 0.055 0.000 1.030 761 H CB 0.525 30.319 29.762 0.053 0.000 2.151 761 H HN 0.067 nan 8.280 nan 0.000 0.742 762 N N 1.208 119.989 118.700 0.136 0.000 2.240 762 N HA 0.080 4.821 4.740 0.001 0.000 0.302 762 N C -0.211 175.318 175.510 0.033 0.000 1.106 762 N CA -0.557 52.548 53.050 0.091 0.000 0.778 762 N CB 2.479 41.034 38.487 0.113 0.000 1.431 762 N HN 0.216 nan 8.380 nan 0.000 0.479 763 Q N 0.620 120.423 119.800 0.005 0.000 2.263 763 Q HA -0.027 4.314 4.340 0.001 0.000 0.289 763 Q C 1.052 177.030 176.000 -0.036 0.000 1.061 763 Q CA 0.397 56.187 55.803 -0.022 0.000 0.927 763 Q CB 0.544 29.253 28.738 -0.047 0.000 1.154 763 Q HN 0.675 nan 8.270 nan 0.000 0.378 764 S N 4.988 120.673 115.700 -0.026 0.000 2.408 764 S HA -0.175 4.296 4.470 0.001 0.000 0.241 764 S C -0.849 173.716 174.600 -0.059 0.000 1.080 764 S CA 2.003 60.187 58.200 -0.028 0.000 1.109 764 S CB -0.704 62.487 63.200 -0.015 0.000 0.966 764 S HN 0.826 nan 8.310 nan 0.000 0.449 765 P HA -0.057 nan 4.420 nan 0.000 0.216 765 P C 1.159 178.286 177.300 -0.287 0.000 1.153 765 P CA 0.889 63.886 63.100 -0.172 0.000 0.844 765 P CB -0.251 31.326 31.700 -0.204 0.000 0.787 766 R N -0.028 120.304 120.500 -0.281 0.000 2.244 766 R HA -0.117 4.224 4.340 0.001 0.000 0.252 766 R C 1.801 178.027 176.300 -0.124 0.000 1.177 766 R CA 0.854 56.798 56.100 -0.260 0.000 1.004 766 R CB -1.241 28.993 30.300 -0.110 0.000 0.873 766 R HN 0.362 nan 8.270 nan 0.000 0.469 767 N N -0.658 117.995 118.700 -0.080 0.000 2.251 767 N HA -0.048 4.692 4.740 0.001 0.000 0.181 767 N C 1.465 176.969 175.510 -0.010 0.000 1.019 767 N CA 1.335 54.363 53.050 -0.038 0.000 0.862 767 N CB -0.311 38.155 38.487 -0.036 0.000 0.992 767 N HN 0.143 nan 8.380 nan 0.000 0.429 768 T N 0.822 115.373 114.554 -0.006 0.000 2.778 768 T HA -0.120 4.230 4.350 0.001 0.000 0.269 768 T C 1.750 176.571 174.700 0.202 0.000 1.050 768 T CA 1.109 63.251 62.100 0.069 0.000 1.137 768 T CB -0.363 68.553 68.868 0.080 0.000 0.860 768 T HN 0.394 nan 8.240 nan 0.000 0.468 769 Y N 0.909 121.196 120.300 -0.021 0.000 2.153 769 Y HA -0.110 4.441 4.550 0.001 0.000 0.289 769 Y C 2.994 178.879 175.900 -0.026 0.000 1.119 769 Y CA 0.496 58.584 58.100 -0.020 0.000 1.116 769 Y CB -0.263 38.192 38.460 -0.008 0.000 1.004 769 Y HN 0.104 nan 8.280 nan 0.000 0.501 770 Q N 0.975 120.868 119.800 0.156 0.000 2.458 770 Q HA -0.143 4.198 4.340 0.001 0.000 0.215 770 Q C 1.054 177.061 176.000 0.013 0.000 0.989 770 Q CA 1.423 57.255 55.803 0.050 0.000 0.895 770 Q CB -0.345 28.382 28.738 -0.019 0.000 0.934 770 Q HN 0.134 nan 8.270 nan 0.000 0.475 771 S N -1.122 114.593 115.700 0.025 0.000 2.618 771 S HA 0.525 4.996 4.470 0.001 0.000 0.242 771 S C 0.494 175.094 174.600 -0.000 0.000 0.972 771 S CA 0.203 58.401 58.200 -0.003 0.000 1.004 771 S CB 0.657 63.852 63.200 -0.009 0.000 0.778 771 S HN 0.475 nan 8.310 nan 0.000 0.459 772 A N 0.037 122.861 122.820 0.007 0.000 2.574 772 A HA 0.400 4.721 4.320 0.001 0.000 0.170 772 A C 1.347 178.920 177.584 -0.019 0.000 1.617 772 A CA -0.135 51.895 52.037 -0.013 0.000 1.189 772 A CB -0.039 18.946 19.000 -0.026 0.000 1.496 772 A HN 0.401 nan 8.150 nan 0.000 0.505 773 M N -0.282 119.316 119.600 -0.003 0.000 2.447 773 M HA 0.100 4.581 4.480 0.001 0.000 0.266 773 M C 2.058 178.355 176.300 -0.005 0.000 1.120 773 M CA 1.214 56.509 55.300 -0.009 0.000 1.166 773 M CB -0.115 32.493 32.600 0.014 0.000 1.349 773 M HN 0.457 nan 8.290 nan 0.000 0.463 774 G N 0.995 109.799 108.800 0.006 0.000 2.564 774 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 774 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 774 G C 1.456 176.378 174.900 0.037 0.000 1.124 774 G CA 0.732 45.846 45.100 0.024 0.000 0.764 774 G HN 0.425 nan 8.290 nan 0.000 0.550 775 K N -0.754 119.657 120.400 0.019 0.000 2.358 775 K HA 0.163 4.484 4.320 0.001 0.000 0.197 775 K C 1.582 178.178 176.600 -0.007 0.000 1.025 775 K CA 0.037 56.357 56.287 0.054 0.000 1.104 775 K CB 0.546 33.072 32.500 0.043 0.000 0.855 775 K HN 0.247 nan 8.250 nan 0.000 0.531 776 Q N 0.093 119.844 119.800 -0.082 0.000 2.179 776 Q HA 0.253 4.594 4.340 0.001 0.000 0.213 776 Q C -0.233 175.664 176.000 -0.171 0.000 0.833 776 Q CA -0.363 55.315 55.803 -0.207 0.000 0.990 776 Q CB 1.384 30.022 28.738 -0.167 0.000 1.132 776 Q HN 0.158 nan 8.270 nan 0.000 0.493 777 A N 0.710 123.486 122.820 -0.073 0.000 2.239 777 A HA 0.708 5.029 4.320 0.001 0.000 0.303 777 A C -0.240 177.333 177.584 -0.018 0.000 1.114 777 A CA -0.317 51.702 52.037 -0.029 0.000 0.871 777 A CB 0.680 19.699 19.000 0.032 0.000 1.201 777 A HN 0.225 nan 8.150 nan 0.000 0.506 778 M N -0.443 119.170 119.600 0.020 0.000 2.465 778 M HA 0.570 5.050 4.480 0.001 0.000 0.316 778 M C 0.517 176.866 176.300 0.082 0.000 1.121 778 M CA -0.047 55.278 55.300 0.042 0.000 0.934 778 M CB 2.444 35.059 32.600 0.026 0.000 1.692 778 M HN 0.962 nan 8.290 nan 0.000 0.444 779 G N 1.117 109.972 108.800 0.092 0.000 3.454 779 G HA2 0.533 4.493 3.960 0.001 0.000 0.162 779 G HA3 0.533 4.493 3.960 0.001 0.000 0.162 779 G C -1.517 173.408 174.900 0.042 0.000 1.223 779 G CA -0.240 44.901 45.100 0.068 0.000 1.394 779 G HN 0.481 nan 8.290 nan 0.000 0.709 780 V N 2.197 122.125 119.914 0.023 0.000 2.555 780 V HA 0.286 4.406 4.120 0.001 0.000 0.283 780 V C 0.239 176.323 176.094 -0.016 0.000 1.020 780 V CA -0.483 61.779 62.300 -0.064 0.000 0.883 780 V CB 0.950 32.712 31.823 -0.101 0.000 1.030 780 V HN 0.766 nan 8.190 nan 0.000 0.448 781 F N 3.780 123.754 119.950 0.040 0.000 2.558 781 F HA 0.558 5.085 4.527 0.001 0.000 0.298 781 F C 0.264 176.151 175.800 0.145 0.000 1.119 781 F CA 0.476 58.532 58.000 0.094 0.000 1.451 781 F CB 0.039 39.063 39.000 0.041 0.000 1.091 781 F HN 0.262 nan 8.300 nan 0.000 0.563 782 L N -0.890 120.065 121.223 -0.446 0.000 3.041 782 L HA 0.209 4.549 4.340 0.001 0.000 0.278 782 L C 0.610 177.311 176.870 -0.282 0.000 1.051 782 L CA -0.039 54.661 54.840 -0.233 0.000 0.957 782 L CB 1.848 43.819 42.059 -0.146 0.000 1.538 782 L HN -0.007 nan 8.230 nan 0.000 0.393 783 T N -4.182 110.263 114.554 -0.181 0.000 3.010 783 T HA 0.032 4.383 4.350 0.001 0.000 0.257 783 T C 0.720 175.228 174.700 -0.320 0.000 1.020 783 T CA 0.180 62.162 62.100 -0.198 0.000 0.938 783 T CB -0.224 68.575 68.868 -0.115 0.000 1.049 783 T HN 0.608 nan 8.240 nan 0.000 0.522 784 N N 1.396 119.935 118.700 -0.269 0.000 2.322 784 N HA -0.003 4.737 4.740 0.001 0.000 0.216 784 N C 1.230 176.611 175.510 -0.215 0.000 1.144 784 N CA -0.349 52.550 53.050 -0.252 0.000 0.830 784 N CB -0.643 37.745 38.487 -0.165 0.000 1.034 784 N HN 0.672 nan 8.380 nan 0.000 0.484 785 Y N 0.305 120.434 120.300 -0.285 0.000 2.352 785 Y HA 0.086 4.636 4.550 0.001 0.000 0.292 785 Y C 1.616 177.385 175.900 -0.218 0.000 1.136 785 Y CA 0.712 58.640 58.100 -0.287 0.000 1.227 785 Y CB -1.072 37.078 38.460 -0.516 0.000 0.991 785 Y HN 0.012 nan 8.280 nan 0.000 0.545 786 N N 0.364 118.717 118.700 -0.577 0.000 2.609 786 N HA -0.066 4.674 4.740 0.001 0.000 0.190 786 N C 0.099 175.559 175.510 -0.084 0.000 1.157 786 N CA 1.023 53.910 53.050 -0.272 0.000 0.918 786 N CB -0.024 38.240 38.487 -0.372 0.000 0.978 786 N HN 0.312 nan 8.380 nan 0.000 0.448 787 V N -0.233 119.634 119.914 -0.078 0.000 2.991 787 V HA 0.317 4.437 4.120 0.001 0.000 0.355 787 V C -0.088 176.023 176.094 0.029 0.000 1.384 787 V CA -0.324 61.964 62.300 -0.020 0.000 1.171 787 V CB -0.072 31.722 31.823 -0.049 0.000 1.190 787 V HN 0.088 nan 8.190 nan 0.000 0.540 788 R N 0.933 121.474 120.500 0.070 0.000 2.480 788 R HA 0.575 4.915 4.340 0.001 0.000 0.306 788 R C -0.436 175.931 176.300 0.113 0.000 0.958 788 R CA -0.642 55.524 56.100 0.110 0.000 0.861 788 R CB 1.858 32.274 30.300 0.193 0.000 1.171 788 R HN 0.085 nan 8.270 nan 0.000 0.445 789 M N 3.178 122.834 119.600 0.093 0.000 3.242 789 M HA 0.109 4.589 4.480 0.001 0.000 0.250 789 M C -0.734 175.602 176.300 0.060 0.000 1.239 789 M CA -0.621 54.727 55.300 0.079 0.000 1.205 789 M CB -0.771 31.869 32.600 0.066 0.000 1.189 789 M HN 0.466 nan 8.290 nan 0.000 0.531 790 D N 0.344 120.780 120.400 0.059 0.000 2.256 790 D HA 0.212 4.852 4.640 0.001 0.000 0.250 790 D C 0.218 176.518 176.300 0.000 0.000 1.093 790 D CA -0.374 53.635 54.000 0.014 0.000 0.882 790 D CB 0.481 41.262 40.800 -0.032 0.000 1.185 790 D HN 0.214 nan 8.370 nan 0.000 0.437 791 T N 0.259 114.798 114.554 -0.025 0.000 2.792 791 T HA 0.228 4.578 4.350 0.001 0.000 0.286 791 T C 0.875 175.568 174.700 -0.011 0.000 0.970 791 T CA -0.724 61.345 62.100 -0.051 0.000 1.187 791 T CB -0.311 68.521 68.868 -0.061 0.000 0.915 791 T HN 0.622 nan 8.240 nan 0.000 0.529 792 M N 1.404 121.026 119.600 0.037 0.000 4.047 792 M HA -0.035 4.445 4.480 0.001 0.000 0.157 792 M C -0.597 175.793 176.300 0.149 0.000 1.532 792 M CA 0.845 56.257 55.300 0.188 0.000 1.097 792 M CB -1.020 31.666 32.600 0.144 0.000 1.346 792 M HN 1.515 nan 8.290 nan 0.000 0.190 793 A N 4.894 127.887 122.820 0.288 0.000 2.573 793 A HA 0.686 5.007 4.320 0.001 0.000 0.299 793 A C -1.481 176.270 177.584 0.278 0.000 1.060 793 A CA -0.896 51.237 52.037 0.160 0.000 0.736 793 A CB 1.330 20.387 19.000 0.096 0.000 1.280 793 A HN 0.755 nan 8.150 nan 0.000 0.401 794 N N 1.021 119.802 118.700 0.135 0.000 2.372 794 N HA 0.622 5.362 4.740 0.001 0.000 0.285 794 N C -1.587 173.979 175.510 0.093 0.000 1.008 794 N CA -0.292 52.823 53.050 0.107 0.000 0.880 794 N CB 1.976 40.435 38.487 -0.047 0.000 1.239 794 N HN 0.461 nan 8.380 nan 0.000 0.484 795 I N 2.141 122.754 120.570 0.072 0.000 2.436 795 I HA 0.216 4.387 4.170 0.001 0.000 0.289 795 I C -0.476 175.701 176.117 0.100 0.000 1.010 795 I CA -0.725 60.568 61.300 -0.012 0.000 1.098 795 I CB 1.712 39.546 38.000 -0.276 0.000 1.266 795 I HN 0.321 nan 8.210 nan 0.000 0.434 796 L N 8.297 129.581 121.223 0.102 0.000 2.363 796 L HA 0.223 4.563 4.340 0.001 0.000 0.286 796 L C 0.686 177.693 176.870 0.228 0.000 1.106 796 L CA 0.363 55.295 54.840 0.154 0.000 0.859 796 L CB -0.643 41.501 42.059 0.141 0.000 1.223 796 L HN 0.518 nan 8.230 nan 0.000 0.446 797 Y N 5.013 125.339 120.300 0.043 0.000 2.012 797 Y HA -0.358 4.193 4.550 0.001 0.000 0.243 797 Y C 0.646 176.723 175.900 0.295 0.000 1.237 797 Y CA 2.167 60.285 58.100 0.030 0.000 1.057 797 Y CB -0.819 37.474 38.460 -0.279 0.000 0.866 797 Y HN 0.528 nan 8.280 nan 0.000 0.511 798 Y N 0.731 121.144 120.300 0.188 0.000 2.842 798 Y HA 0.309 4.859 4.550 0.001 0.000 0.334 798 Y C -2.216 173.696 175.900 0.019 0.000 1.019 798 Y CA -2.869 55.273 58.100 0.069 0.000 1.258 798 Y CB 0.706 39.193 38.460 0.046 0.000 1.106 798 Y HN -0.030 nan 8.280 nan 0.000 0.545 799 P HA 0.158 nan 4.420 nan 0.000 0.274 799 P C -0.979 176.345 177.300 0.039 0.000 1.231 799 P CA -0.217 62.929 63.100 0.077 0.000 0.790 799 P CB 0.896 32.610 31.700 0.023 0.000 0.951 800 Q N 0.684 120.513 119.800 0.049 0.000 2.305 800 Q HA 0.241 4.581 4.340 0.001 0.000 0.271 800 Q C -0.539 175.419 176.000 -0.070 0.000 1.046 800 Q CA -1.061 54.743 55.803 0.002 0.000 0.798 800 Q CB 2.465 31.227 28.738 0.040 0.000 1.286 800 Q HN 0.392 nan 8.270 nan 0.000 0.435 801 K N 2.198 122.505 120.400 -0.155 0.000 2.379 801 K HA 0.282 4.602 4.320 0.001 0.000 0.284 801 K C -2.285 174.115 176.600 -0.332 0.000 1.044 801 K CA -1.334 54.808 56.287 -0.241 0.000 0.974 801 K CB 0.190 32.584 32.500 -0.178 0.000 0.962 801 K HN 0.185 nan 8.250 nan 0.000 0.474 802 P HA -0.128 nan 4.420 nan 0.000 0.264 802 P C 0.589 177.687 177.300 -0.338 0.000 1.179 802 P CA 0.107 62.742 63.100 -0.774 0.000 0.763 802 P CB 0.723 31.867 31.700 -0.928 0.000 0.806 803 L N 2.122 123.198 121.223 -0.246 0.000 1.961 803 L HA -0.039 4.301 4.340 0.001 0.000 0.210 803 L C 1.759 178.548 176.870 -0.135 0.000 1.072 803 L CA 1.745 56.500 54.840 -0.141 0.000 0.749 803 L CB -1.210 40.796 42.059 -0.090 0.000 0.889 803 L HN 0.505 nan 8.230 nan 0.000 0.432 804 G N -0.174 108.543 108.800 -0.138 0.000 2.378 804 G HA2 0.397 4.357 3.960 0.001 0.000 0.255 804 G HA3 0.397 4.357 3.960 0.001 0.000 0.255 804 G C -0.193 174.587 174.900 -0.199 0.000 1.270 804 G CA 0.152 45.157 45.100 -0.159 0.000 0.876 804 G HN 0.306 nan 8.290 nan 0.000 0.521 805 T N -1.366 113.066 114.554 -0.204 0.000 2.716 805 T HA 0.790 5.140 4.350 0.001 0.000 0.286 805 T C -0.461 174.109 174.700 -0.218 0.000 1.052 805 T CA -0.794 61.186 62.100 -0.200 0.000 1.024 805 T CB 2.220 71.000 68.868 -0.147 0.000 1.349 805 T HN 0.394 nan 8.240 nan 0.000 0.525 806 T N 0.955 115.389 114.554 -0.200 0.000 2.921 806 T HA 0.397 4.747 4.350 0.001 0.000 0.297 806 T C 1.047 175.626 174.700 -0.201 0.000 1.013 806 T CA -0.909 61.082 62.100 -0.181 0.000 0.990 806 T CB 1.868 70.634 68.868 -0.169 0.000 1.023 806 T HN 0.556 nan 8.240 nan 0.000 0.447 807 R N 1.725 122.051 120.500 -0.289 0.000 2.170 807 R HA -0.111 4.229 4.340 0.001 0.000 0.242 807 R C 2.163 178.270 176.300 -0.323 0.000 1.145 807 R CA 1.261 57.038 56.100 -0.540 0.000 0.984 807 R CB -0.877 28.641 30.300 -1.304 0.000 0.869 807 R HN 0.703 nan 8.270 nan 0.000 0.455 808 A N 0.768 123.496 122.820 -0.153 0.000 2.067 808 A HA -0.071 4.249 4.320 0.001 0.000 0.219 808 A C 2.197 179.827 177.584 0.076 0.000 1.158 808 A CA 0.917 52.980 52.037 0.042 0.000 0.661 808 A CB -0.336 18.687 19.000 0.038 0.000 0.801 808 A HN 0.190 nan 8.150 nan 0.000 0.452 809 M N -1.138 118.434 119.600 -0.048 0.000 2.175 809 M HA -0.150 4.330 4.480 0.001 0.000 0.264 809 M C 2.086 178.368 176.300 -0.031 0.000 1.063 809 M CA 1.686 56.951 55.300 -0.059 0.000 1.119 809 M CB -0.347 32.190 32.600 -0.105 0.000 1.377 809 M HN 0.614 nan 8.290 nan 0.000 0.415 810 E N 0.292 120.410 120.200 -0.138 0.000 2.208 810 E HA -0.248 4.102 4.350 0.001 0.000 0.202 810 E C 1.207 177.508 176.600 -0.498 0.000 1.014 810 E CA 1.768 57.940 56.400 -0.380 0.000 0.819 810 E CB 0.013 29.319 29.700 -0.657 0.000 0.735 810 E HN 0.630 nan 8.360 nan 0.000 0.469 811 Y N -0.930 119.304 120.300 -0.111 0.000 2.478 811 Y HA 0.180 4.730 4.550 0.001 0.000 0.261 811 Y C 1.632 177.414 175.900 -0.197 0.000 1.127 811 Y CA 0.108 58.082 58.100 -0.210 0.000 1.288 811 Y CB 0.227 38.361 38.460 -0.545 0.000 1.084 811 Y HN -0.027 nan 8.280 nan 0.000 0.530 812 L N 0.411 121.648 121.223 0.024 0.000 2.611 812 L HA 0.096 4.436 4.340 0.001 0.000 0.229 812 L C 0.117 177.117 176.870 0.215 0.000 1.137 812 L CA 0.013 54.904 54.840 0.085 0.000 0.901 812 L CB -0.131 41.952 42.059 0.039 0.000 1.098 812 L HN -0.017 nan 8.230 nan 0.000 0.456 813 K N -0.264 120.193 120.400 0.095 0.000 3.490 813 K HA -0.265 4.055 4.320 0.001 0.000 0.273 813 K C 0.481 177.050 176.600 -0.052 0.000 0.916 813 K CA 0.585 56.853 56.287 -0.031 0.000 0.718 813 K CB -2.007 30.404 32.500 -0.147 0.000 1.477 813 K HN 0.187 nan 8.250 nan 0.000 0.452 814 F N 0.917 120.787 119.950 -0.135 0.000 2.188 814 F HA 0.038 4.565 4.527 0.001 0.000 0.289 814 F C 2.089 177.792 175.800 -0.161 0.000 1.082 814 F CA 0.779 58.708 58.000 -0.119 0.000 1.282 814 F CB 0.062 39.015 39.000 -0.079 0.000 1.060 814 F HN 0.170 nan 8.300 nan 0.000 0.493 815 R N 0.097 120.554 120.500 -0.072 0.000 2.355 815 R HA -0.165 4.176 4.340 0.001 0.000 0.219 815 R C 1.323 177.488 176.300 -0.224 0.000 1.107 815 R CA 1.228 57.233 56.100 -0.158 0.000 1.021 815 R CB -0.319 29.926 30.300 -0.091 0.000 0.852 815 R HN 0.323 nan 8.270 nan 0.000 0.475 816 E N -0.120 119.894 120.200 -0.310 0.000 2.201 816 E HA 0.145 4.495 4.350 0.001 0.000 0.193 816 E C 0.076 176.375 176.600 -0.501 0.000 0.957 816 E CA 0.635 56.798 56.400 -0.394 0.000 0.858 816 E CB 0.614 29.954 29.700 -0.600 0.000 0.816 816 E HN 0.116 nan 8.360 nan 0.000 0.475 817 L N 1.969 122.845 121.223 -0.579 0.000 2.502 817 L HA 0.377 4.717 4.340 0.001 0.000 0.249 817 L C -2.341 174.231 176.870 -0.498 0.000 1.446 817 L CA -1.626 52.918 54.840 -0.494 0.000 0.887 817 L CB 1.144 42.845 42.059 -0.596 0.000 1.126 817 L HN -0.025 nan 8.230 nan 0.000 0.509 818 P HA 0.127 nan 4.420 nan 0.000 0.291 818 P C -0.028 177.094 177.300 -0.298 0.000 1.287 818 P CA -0.209 62.438 63.100 -0.755 0.000 0.767 818 P CB 1.162 32.601 31.700 -0.435 0.000 1.290 819 A N -1.441 121.357 122.820 -0.036 0.000 3.214 819 A HA 0.611 4.932 4.320 0.001 0.000 0.203 819 A C 0.043 177.664 177.584 0.063 0.000 0.960 819 A CA 0.351 52.441 52.037 0.089 0.000 1.113 819 A CB -0.262 18.836 19.000 0.163 0.000 1.280 819 A HN 0.834 nan 8.150 nan 0.000 0.573 820 G N -0.495 108.344 108.800 0.064 0.000 2.325 820 G HA2 0.510 4.471 3.960 0.001 0.000 0.295 820 G HA3 0.510 4.471 3.960 0.001 0.000 0.295 820 G C -1.859 173.060 174.900 0.032 0.000 1.274 820 G CA -0.482 44.506 45.100 -0.187 0.000 0.857 820 G HN 0.382 nan 8.290 nan 0.000 0.499 821 Q N -0.160 119.597 119.800 -0.072 0.000 2.345 821 Q HA 0.344 4.684 4.340 0.001 0.000 0.275 821 Q C -1.195 174.967 176.000 0.271 0.000 1.063 821 Q CA -1.009 54.844 55.803 0.084 0.000 0.819 821 Q CB 2.426 30.899 28.738 -0.443 0.000 1.356 821 Q HN 0.474 nan 8.270 nan 0.000 0.418 822 N N 1.280 120.143 118.700 0.271 0.000 2.402 822 N HA 0.313 5.053 4.740 0.001 0.000 0.252 822 N C -1.127 174.437 175.510 0.090 0.000 1.118 822 N CA 0.152 53.329 53.050 0.210 0.000 0.945 822 N CB 1.146 39.682 38.487 0.081 0.000 1.147 822 N HN 0.514 nan 8.380 nan 0.000 0.495 823 A N 2.939 125.837 122.820 0.129 0.000 2.337 823 A HA 0.473 4.793 4.320 0.001 0.000 0.329 823 A C 0.266 177.900 177.584 0.083 0.000 1.146 823 A CA -0.738 51.340 52.037 0.068 0.000 0.800 823 A CB 0.815 19.861 19.000 0.076 0.000 1.220 823 A HN 0.500 nan 8.150 nan 0.000 0.472 824 I N 3.564 124.169 120.570 0.059 0.000 2.357 824 I HA 0.067 4.237 4.170 0.001 0.000 0.300 824 I C 0.451 176.577 176.117 0.014 0.000 1.159 824 I CA 0.284 61.646 61.300 0.104 0.000 1.339 824 I CB -0.934 37.173 38.000 0.179 0.000 1.458 824 I HN 0.235 nan 8.210 nan 0.000 0.577 825 V N 5.398 125.308 119.914 -0.006 0.000 3.051 825 V HA 0.544 4.665 4.120 0.001 0.000 0.306 825 V C 0.693 176.567 176.094 -0.366 0.000 1.083 825 V CA -0.375 61.869 62.300 -0.093 0.000 1.104 825 V CB 1.598 33.469 31.823 0.080 0.000 1.027 825 V HN 0.870 nan 8.190 nan 0.000 0.483 826 A N 4.649 127.257 122.820 -0.353 0.000 2.611 826 A HA 0.585 4.905 4.320 0.001 0.000 0.282 826 A C -0.785 176.660 177.584 -0.232 0.000 1.114 826 A CA -0.466 51.264 52.037 -0.511 0.000 0.800 826 A CB 0.479 19.001 19.000 -0.796 0.000 1.325 826 A HN 0.672 nan 8.150 nan 0.000 0.411 827 I N 2.693 123.204 120.570 -0.098 0.000 2.311 827 I HA 0.447 4.617 4.170 0.001 0.000 0.297 827 I C 0.642 176.711 176.117 -0.079 0.000 1.131 827 I CA 0.600 61.886 61.300 -0.022 0.000 1.289 827 I CB 0.362 38.417 38.000 0.091 0.000 1.446 827 I HN 0.764 nan 8.210 nan 0.000 0.524 828 A N 5.223 127.988 122.820 -0.093 0.000 2.564 828 A HA 0.642 4.962 4.320 0.001 0.000 0.291 828 A C -1.369 176.198 177.584 -0.028 0.000 1.102 828 A CA -0.510 51.474 52.037 -0.087 0.000 0.660 828 A CB 1.190 20.107 19.000 -0.138 0.000 1.283 828 A HN 0.522 nan 8.150 nan 0.000 0.430 829 C N 0.497 119.804 119.300 0.011 0.000 2.330 829 C HA 0.789 5.249 4.460 0.001 0.000 0.344 829 C C 0.124 175.234 174.990 0.200 0.000 1.273 829 C CA 0.008 59.081 59.018 0.092 0.000 1.879 829 C CB -0.049 27.739 27.740 0.080 0.000 2.376 829 C HN 0.790 nan 8.230 nan 0.000 0.534 830 Y N 1.293 121.596 120.300 0.004 0.000 2.741 830 Y HA 0.203 4.754 4.550 0.001 0.000 0.208 830 Y C 2.257 178.175 175.900 0.030 0.000 2.219 830 Y CA 0.456 58.535 58.100 -0.034 0.000 1.141 830 Y CB -0.507 37.895 38.460 -0.096 0.000 1.443 830 Y HN 0.576 nan 8.280 nan 0.000 0.425 831 S N 0.071 115.714 115.700 -0.095 0.000 2.380 831 S HA -0.006 4.464 4.470 0.001 0.000 0.229 831 S C 1.530 176.273 174.600 0.238 0.000 1.043 831 S CA 1.798 59.989 58.200 -0.015 0.000 1.038 831 S CB -0.844 62.375 63.200 0.031 0.000 0.872 831 S HN 1.549 nan 8.310 nan 0.000 0.456 832 G N -1.084 107.923 108.800 0.346 0.000 2.198 832 G HA2 -0.145 3.816 3.960 0.001 0.000 0.156 832 G HA3 -0.145 3.816 3.960 0.001 0.000 0.156 832 G C 0.311 175.395 174.900 0.307 0.000 1.012 832 G CA 0.132 45.405 45.100 0.287 0.000 0.692 832 G HN 0.420 nan 8.290 nan 0.000 0.492 833 Y N 1.687 122.044 120.300 0.095 0.000 2.490 833 Y HA 0.114 4.665 4.550 0.001 0.000 0.285 833 Y C 2.306 178.243 175.900 0.062 0.000 1.117 833 Y CA 0.693 58.834 58.100 0.068 0.000 1.262 833 Y CB -0.063 38.438 38.460 0.067 0.000 1.043 833 Y HN 0.488 nan 8.280 nan 0.000 0.553 834 N N 0.551 119.393 118.700 0.237 0.000 2.515 834 N HA -0.086 4.654 4.740 0.001 0.000 0.191 834 N C 0.448 176.020 175.510 0.103 0.000 1.182 834 N CA 0.079 53.218 53.050 0.147 0.000 0.879 834 N CB -0.213 38.359 38.487 0.141 0.000 0.984 834 N HN 0.386 nan 8.380 nan 0.000 0.453 835 Q N 0.882 120.735 119.800 0.089 0.000 2.584 835 Q HA -0.017 4.324 4.340 0.001 0.000 0.235 835 Q C -0.196 175.820 176.000 0.027 0.000 1.079 835 Q CA -0.026 55.812 55.803 0.058 0.000 0.977 835 Q CB 0.385 29.136 28.738 0.021 0.000 1.293 835 Q HN 0.212 nan 8.270 nan 0.000 0.553 836 E N 2.273 122.481 120.200 0.013 0.000 2.038 836 E HA -0.373 3.977 4.350 0.001 0.000 0.181 836 E C -1.064 175.540 176.600 0.007 0.000 1.383 836 E CA 1.126 57.524 56.400 -0.003 0.000 0.677 836 E CB -1.257 28.425 29.700 -0.031 0.000 1.051 836 E HN 0.699 nan 8.360 nan 0.000 0.317 837 D N -0.519 119.898 120.400 0.029 0.000 2.800 837 D HA -0.131 4.509 4.640 0.001 0.000 0.248 837 D C -0.799 175.518 176.300 0.029 0.000 1.091 837 D CA 1.405 55.424 54.000 0.032 0.000 0.746 837 D CB -1.143 39.672 40.800 0.024 0.000 1.062 837 D HN 0.451 nan 8.370 nan 0.000 0.431 838 S N -0.974 114.748 115.700 0.038 0.000 2.543 838 S HA 0.694 5.164 4.470 0.001 0.000 0.274 838 S C -0.147 174.485 174.600 0.054 0.000 1.149 838 S CA -1.165 57.056 58.200 0.036 0.000 0.866 838 S CB 2.756 65.966 63.200 0.018 0.000 1.111 838 S HN 0.239 nan 8.310 nan 0.000 0.457 839 M N 1.166 120.797 119.600 0.051 0.000 2.762 839 M HA 0.660 5.140 4.480 0.001 0.000 0.306 839 M C -1.137 175.209 176.300 0.076 0.000 1.223 839 M CA -0.854 54.474 55.300 0.046 0.000 0.896 839 M CB 0.646 33.233 32.600 -0.021 0.000 1.684 839 M HN 0.696 nan 8.290 nan 0.000 0.491 840 I N 1.943 122.568 120.570 0.091 0.000 2.321 840 I HA 0.401 4.571 4.170 0.001 0.000 0.291 840 I C -0.592 175.576 176.117 0.085 0.000 0.998 840 I CA -0.327 61.060 61.300 0.145 0.000 1.227 840 I CB 1.646 39.799 38.000 0.255 0.000 1.368 840 I HN 0.700 nan 8.210 nan 0.000 0.466 841 M N 6.552 126.192 119.600 0.067 0.000 2.227 841 M HA 0.328 4.808 4.480 0.001 0.000 0.335 841 M C -0.310 176.030 176.300 0.067 0.000 1.053 841 M CA -0.650 54.669 55.300 0.032 0.000 0.973 841 M CB 1.292 33.897 32.600 0.007 0.000 1.623 841 M HN 0.498 nan 8.290 nan 0.000 0.434 842 N N 3.291 122.027 118.700 0.061 0.000 2.359 842 N HA -0.124 4.616 4.740 0.001 0.000 0.261 842 N C 0.409 175.961 175.510 0.070 0.000 1.267 842 N CA 0.600 53.700 53.050 0.083 0.000 0.864 842 N CB 0.951 39.472 38.487 0.056 0.000 1.063 842 N HN 0.736 nan 8.380 nan 0.000 0.474 843 Q N 2.970 122.818 119.800 0.080 0.000 2.033 843 Q HA -0.030 4.311 4.340 0.001 0.000 0.196 843 Q C 1.381 177.411 176.000 0.051 0.000 0.970 843 Q CA 1.672 57.507 55.803 0.054 0.000 0.828 843 Q CB -0.399 28.367 28.738 0.047 0.000 0.895 843 Q HN 0.721 nan 8.270 nan 0.000 0.440 844 S N 0.806 116.542 115.700 0.061 0.000 2.414 844 S HA -0.310 4.161 4.470 0.001 0.000 0.238 844 S C 1.991 176.617 174.600 0.044 0.000 1.055 844 S CA 2.339 60.571 58.200 0.053 0.000 1.174 844 S CB -1.165 62.071 63.200 0.061 0.000 1.087 844 S HN 0.729 nan 8.310 nan 0.000 0.428 845 S N 2.237 117.963 115.700 0.043 0.000 2.381 845 S HA -0.180 4.290 4.470 0.001 0.000 0.230 845 S C 1.765 176.380 174.600 0.026 0.000 1.052 845 S CA 1.683 59.901 58.200 0.031 0.000 1.068 845 S CB -1.116 62.097 63.200 0.023 0.000 0.918 845 S HN 0.488 nan 8.310 nan 0.000 0.448 846 I N 2.405 122.996 120.570 0.035 0.000 2.300 846 I HA -0.233 3.938 4.170 0.001 0.000 0.252 846 I C 2.042 178.169 176.117 0.015 0.000 1.119 846 I CA 1.752 63.073 61.300 0.035 0.000 1.384 846 I CB -0.547 37.480 38.000 0.044 0.000 1.062 846 I HN 0.350 nan 8.210 nan 0.000 0.426 847 D N 0.605 121.018 120.400 0.022 0.000 2.110 847 D HA -0.071 4.569 4.640 0.001 0.000 0.202 847 D C 1.969 178.285 176.300 0.027 0.000 0.975 847 D CA 0.867 54.880 54.000 0.021 0.000 0.839 847 D CB -0.265 40.552 40.800 0.028 0.000 0.996 847 D HN 0.284 nan 8.370 nan 0.000 0.464 848 R N 0.242 120.763 120.500 0.036 0.000 2.395 848 R HA 0.061 4.401 4.340 0.001 0.000 0.203 848 R C 1.025 177.364 176.300 0.065 0.000 1.076 848 R CA 0.654 56.787 56.100 0.055 0.000 1.059 848 R CB -0.168 30.166 30.300 0.056 0.000 0.860 848 R HN 0.235 nan 8.270 nan 0.000 0.476 849 G N 0.577 109.385 108.800 0.015 0.000 2.148 849 G HA2 -0.226 3.735 3.960 0.001 0.000 0.203 849 G HA3 -0.226 3.735 3.960 0.001 0.000 0.203 849 G C -0.149 174.687 174.900 -0.107 0.000 0.993 849 G CA -0.453 44.610 45.100 -0.061 0.000 0.661 849 G HN 0.222 nan 8.290 nan 0.000 0.518 850 L N 0.530 121.723 121.223 -0.051 0.000 2.490 850 L HA 0.639 4.980 4.340 0.001 0.000 0.274 850 L C 1.423 178.283 176.870 -0.016 0.000 1.201 850 L CA 0.622 55.408 54.840 -0.090 0.000 0.869 850 L CB -0.717 41.306 42.059 -0.061 0.000 1.123 850 L HN 0.596 nan 8.230 nan 0.000 0.484 851 F N 1.870 121.765 119.950 -0.091 0.000 3.030 851 F HA -0.342 4.185 4.527 0.001 0.000 0.302 851 F C 1.278 177.000 175.800 -0.129 0.000 0.749 851 F CA 0.811 58.760 58.000 -0.085 0.000 1.040 851 F CB -0.768 38.178 39.000 -0.090 0.000 1.383 851 F HN 0.609 nan 8.300 nan 0.000 0.368 852 R N 0.930 121.354 120.500 -0.127 0.000 2.679 852 R HA 0.335 4.676 4.340 0.001 0.000 0.268 852 R C 0.580 176.615 176.300 -0.442 0.000 1.044 852 R CA 0.862 56.709 56.100 -0.423 0.000 1.105 852 R CB 0.849 30.601 30.300 -0.914 0.000 0.989 852 R HN 0.253 nan 8.270 nan 0.000 0.447 853 S N 1.984 117.451 115.700 -0.389 0.000 2.627 853 S HA 0.536 5.006 4.470 0.001 0.000 0.283 853 S C -0.546 174.059 174.600 0.008 0.000 1.127 853 S CA -1.059 57.075 58.200 -0.110 0.000 0.863 853 S CB 1.454 64.650 63.200 -0.006 0.000 1.121 853 S HN 0.379 nan 8.310 nan 0.000 0.479 854 L N 1.602 122.966 121.223 0.235 0.000 2.352 854 L HA 0.700 5.040 4.340 0.001 0.000 0.269 854 L C -1.185 175.918 176.870 0.389 0.000 1.034 854 L CA -0.831 54.222 54.840 0.354 0.000 0.806 854 L CB 1.552 43.935 42.059 0.540 0.000 1.244 854 L HN 0.781 nan 8.230 nan 0.000 0.447 855 F N 2.289 122.310 119.950 0.119 0.000 2.653 855 F HA 0.495 5.022 4.527 0.001 0.000 0.327 855 F C -1.520 174.272 175.800 -0.015 0.000 1.195 855 F CA -1.429 56.633 58.000 0.102 0.000 0.993 855 F CB 1.096 40.092 39.000 -0.007 0.000 1.259 855 F HN 0.035 nan 8.300 nan 0.000 0.478 856 F N 5.605 125.676 119.950 0.201 0.000 2.469 856 F HA 0.704 5.231 4.527 0.001 0.000 0.332 856 F C 0.123 175.782 175.800 -0.236 0.000 1.103 856 F CA -0.695 57.246 58.000 -0.098 0.000 0.979 856 F CB 1.853 40.879 39.000 0.044 0.000 1.137 856 F HN 0.506 nan 8.300 nan 0.000 0.463 857 R N 0.864 121.207 120.500 -0.261 0.000 2.808 857 R HA 0.828 5.169 4.340 0.001 0.000 0.272 857 R C -1.688 174.447 176.300 -0.274 0.000 0.995 857 R CA -0.707 55.209 56.100 -0.307 0.000 0.917 857 R CB 2.121 32.097 30.300 -0.539 0.000 1.217 857 R HN 0.768 nan 8.270 nan 0.000 0.471 858 S N 1.414 116.902 115.700 -0.354 0.000 2.649 858 S HA 0.404 4.874 4.470 0.001 0.000 0.274 858 S C -1.236 173.148 174.600 -0.361 0.000 1.176 858 S CA -0.899 57.139 58.200 -0.271 0.000 0.988 858 S CB 0.557 63.714 63.200 -0.072 0.000 1.071 858 S HN 0.458 nan 8.310 nan 0.000 0.478 859 Y N 2.298 122.560 120.300 -0.063 0.000 2.408 859 Y HA 0.771 5.321 4.550 0.001 0.000 0.324 859 Y C 0.611 176.458 175.900 -0.089 0.000 1.302 859 Y CA -1.174 56.888 58.100 -0.065 0.000 1.384 859 Y CB 0.789 39.205 38.460 -0.073 0.000 1.367 859 Y HN 0.769 nan 8.280 nan 0.000 0.525 860 M N 1.052 120.701 119.600 0.081 0.000 2.578 860 M HA 0.383 4.863 4.480 0.001 0.000 0.276 860 M C -2.608 173.682 176.300 -0.015 0.000 1.245 860 M CA -0.400 54.867 55.300 -0.054 0.000 0.871 860 M CB 2.895 35.441 32.600 -0.090 0.000 1.722 860 M HN 0.857 nan 8.290 nan 0.000 0.473 861 D N 1.735 122.096 120.400 -0.064 0.000 2.745 861 D HA 0.356 4.996 4.640 0.001 0.000 0.221 861 D C -1.889 174.518 176.300 0.179 0.000 1.237 861 D CA -0.038 54.017 54.000 0.092 0.000 0.781 861 D CB 2.282 43.185 40.800 0.171 0.000 1.575 861 D HN 0.788 nan 8.370 nan 0.000 0.482 862 Q N 0.463 120.391 119.800 0.214 0.000 2.486 862 Q HA 0.496 4.837 4.340 0.001 0.000 0.274 862 Q C -0.627 175.389 176.000 0.027 0.000 1.076 862 Q CA -0.823 55.118 55.803 0.230 0.000 0.872 862 Q CB 2.072 30.971 28.738 0.267 0.000 1.383 862 Q HN 0.218 nan 8.270 nan 0.000 0.478 863 E N 1.256 121.423 120.200 -0.055 0.000 2.267 863 E HA 0.164 4.514 4.350 0.001 0.000 0.241 863 E C -1.160 175.394 176.600 -0.076 0.000 0.950 863 E CA -0.248 56.046 56.400 -0.178 0.000 0.776 863 E CB 0.735 30.270 29.700 -0.275 0.000 1.207 863 E HN 0.214 nan 8.360 nan 0.000 0.436 864 K N 1.974 122.338 120.400 -0.060 0.000 2.561 864 K HA -0.005 4.316 4.320 0.001 0.000 0.280 864 K C 0.276 176.789 176.600 -0.144 0.000 0.975 864 K CA 0.572 56.787 56.287 -0.121 0.000 1.024 864 K CB 0.531 32.947 32.500 -0.141 0.000 0.883 864 K HN 0.047 nan 8.250 nan 0.000 0.496 865 K N 1.862 122.102 120.400 -0.267 0.000 2.352 865 K HA 0.445 4.766 4.320 0.001 0.000 0.240 865 K C -1.374 174.991 176.600 -0.391 0.000 1.017 865 K CA -0.883 55.315 56.287 -0.149 0.000 0.851 865 K CB 1.363 33.838 32.500 -0.042 0.000 1.261 865 K HN 0.402 nan 8.250 nan 0.000 0.451 866 Y N -1.131 119.170 120.300 0.002 0.000 2.330 866 Y HA 0.197 4.747 4.550 0.001 0.000 0.324 866 Y C 1.221 177.125 175.900 0.007 0.000 1.093 866 Y CA -0.768 57.336 58.100 0.006 0.000 1.103 866 Y CB 1.554 40.017 38.460 0.005 0.000 1.183 866 Y HN 0.817 nan 8.280 nan 0.000 0.433 867 G N 2.218 111.096 108.800 0.129 0.000 2.728 867 G HA2 -0.360 3.600 3.960 0.001 0.000 0.224 867 G HA3 -0.360 3.600 3.960 0.001 0.000 0.224 867 G C 1.213 176.162 174.900 0.081 0.000 1.123 867 G CA 1.162 46.313 45.100 0.085 0.000 0.755 867 G HN 0.668 nan 8.290 nan 0.000 0.622 868 M N 1.502 121.158 119.600 0.092 0.000 2.726 868 M HA 0.239 4.719 4.480 0.001 0.000 0.211 868 M C 0.262 176.589 176.300 0.045 0.000 1.190 868 M CA -0.033 55.300 55.300 0.056 0.000 1.000 868 M CB -0.413 32.211 32.600 0.040 0.000 1.790 868 M HN 0.124 nan 8.290 nan 0.000 0.467 869 S N 1.245 116.984 115.700 0.066 0.000 3.580 869 S HA -0.143 4.327 4.470 0.001 0.000 0.472 869 S C -0.542 174.076 174.600 0.029 0.000 0.730 869 S CA 0.507 58.740 58.200 0.054 0.000 1.324 869 S CB -0.914 62.305 63.200 0.031 0.000 1.439 869 S HN 0.635 nan 8.310 nan 0.000 0.676 870 I N 2.653 123.258 120.570 0.058 0.000 2.702 870 I HA 0.254 4.425 4.170 0.001 0.000 0.287 870 I C -0.350 175.830 176.117 0.105 0.000 1.342 870 I CA -0.400 60.889 61.300 -0.018 0.000 1.063 870 I CB 2.492 40.337 38.000 -0.258 0.000 1.331 870 I HN 0.446 nan 8.210 nan 0.000 0.427 871 T N 4.248 118.837 114.554 0.057 0.000 2.876 871 T HA 0.390 4.740 4.350 0.001 0.000 0.289 871 T C -0.350 174.371 174.700 0.035 0.000 1.014 871 T CA -0.738 61.409 62.100 0.078 0.000 0.986 871 T CB 2.218 71.106 68.868 0.033 0.000 1.021 871 T HN 0.427 nan 8.240 nan 0.000 0.458 872 E N 1.124 121.343 120.200 0.032 0.000 2.369 872 E HA 0.545 4.895 4.350 0.001 0.000 0.255 872 E C -0.386 176.149 176.600 -0.109 0.000 1.172 872 E CA -0.416 55.968 56.400 -0.026 0.000 0.932 872 E CB 0.702 30.375 29.700 -0.045 0.000 1.040 872 E HN 0.481 nan 8.360 nan 0.000 0.454 873 T N 0.768 115.250 114.554 -0.120 0.000 2.982 873 T HA 0.262 4.612 4.350 0.001 0.000 0.321 873 T C -0.967 173.715 174.700 -0.028 0.000 1.229 873 T CA -0.690 61.337 62.100 -0.122 0.000 1.044 873 T CB 0.495 69.350 68.868 -0.022 0.000 1.184 873 T HN 0.275 nan 8.240 nan 0.000 0.477 874 F N 3.389 123.361 119.950 0.037 0.000 2.462 874 F HA 0.356 4.884 4.527 0.001 0.000 0.354 874 F C 1.192 177.011 175.800 0.031 0.000 1.192 874 F CA -0.522 57.497 58.000 0.031 0.000 1.173 874 F CB 0.306 39.320 39.000 0.024 0.000 1.402 874 F HN 0.601 nan 8.300 nan 0.000 0.595 875 E N 1.793 122.130 120.200 0.229 0.000 2.446 875 E HA 0.381 4.732 4.350 0.001 0.000 0.269 875 E C -1.400 175.280 176.600 0.133 0.000 0.977 875 E CA -1.356 55.128 56.400 0.140 0.000 0.854 875 E CB 1.753 31.510 29.700 0.095 0.000 1.545 875 E HN 0.228 nan 8.360 nan 0.000 0.448 876 K N 1.816 122.276 120.400 0.099 0.000 2.484 876 K HA 0.330 4.651 4.320 0.001 0.000 0.226 876 K C -2.246 174.380 176.600 0.042 0.000 1.031 876 K CA -1.864 54.490 56.287 0.112 0.000 1.026 876 K CB 0.814 33.370 32.500 0.093 0.000 1.412 876 K HN 0.371 nan 8.250 nan 0.000 0.492 877 P HA 0.130 nan 4.420 nan 0.000 0.286 877 P C -1.499 175.687 177.300 -0.191 0.000 1.293 877 P CA -0.301 62.752 63.100 -0.079 0.000 0.770 877 P CB 0.628 32.287 31.700 -0.067 0.000 1.206 878 Q N -1.662 118.033 119.800 -0.175 0.000 2.887 878 Q HA 0.332 4.672 4.340 0.001 0.000 0.211 878 Q C -0.314 175.610 176.000 -0.127 0.000 0.879 878 Q CA -0.879 54.809 55.803 -0.192 0.000 1.210 878 Q CB 0.837 29.488 28.738 -0.145 0.000 1.663 878 Q HN 0.241 nan 8.270 nan 0.000 0.582 879 R N 0.450 120.871 120.500 -0.132 0.000 3.726 879 R HA -0.213 4.128 4.340 0.001 0.000 0.510 879 R C -0.324 175.935 176.300 -0.068 0.000 0.241 879 R CA 1.662 57.708 56.100 -0.089 0.000 1.592 879 R CB -2.216 28.041 30.300 -0.071 0.000 0.955 879 R HN 1.447 nan 8.270 nan 0.000 0.585 880 T N 1.240 115.763 114.554 -0.051 0.000 3.875 880 T HA -0.148 4.203 4.350 0.001 0.000 0.381 880 T C 0.522 175.202 174.700 -0.035 0.000 0.760 880 T CA 1.091 63.167 62.100 -0.039 0.000 2.040 880 T CB -0.973 67.872 68.868 -0.038 0.000 1.778 880 T HN 0.624 nan 8.240 nan 0.000 0.822 881 N N -1.175 117.505 118.700 -0.032 0.000 3.249 881 N HA -0.218 4.523 4.740 0.001 0.000 0.229 881 N C 1.416 176.909 175.510 -0.029 0.000 0.214 881 N CA 1.827 54.860 53.050 -0.027 0.000 3.820 881 N CB -1.752 36.721 38.487 -0.024 0.000 1.115 881 N HN 0.484 nan 8.380 nan 0.000 0.238 882 T N 2.466 117.002 114.554 -0.030 0.000 2.597 882 T HA -0.050 4.300 4.350 0.001 0.000 0.267 882 T C 1.656 176.336 174.700 -0.034 0.000 1.053 882 T CA 2.792 64.875 62.100 -0.029 0.000 1.165 882 T CB -0.167 68.685 68.868 -0.027 0.000 0.863 882 T HN 0.481 nan 8.240 nan 0.000 0.427 883 L N -2.666 118.530 121.223 -0.046 0.000 2.614 883 L HA -0.175 4.166 4.340 0.001 0.000 0.448 883 L C 0.493 177.328 176.870 -0.059 0.000 0.707 883 L CA 0.601 55.407 54.840 -0.056 0.000 3.083 883 L CB -1.209 40.822 42.059 -0.046 0.000 0.738 883 L HN 0.164 nan 8.230 nan 0.000 0.734 884 R N 1.985 122.460 120.500 -0.042 0.000 2.540 884 R HA 0.235 4.575 4.340 0.001 0.000 0.317 884 R C 0.241 176.525 176.300 -0.027 0.000 1.233 884 R CA 0.706 56.786 56.100 -0.032 0.000 1.003 884 R CB -0.003 30.288 30.300 -0.015 0.000 1.034 884 R HN 0.424 nan 8.270 nan 0.000 0.483 885 M N 1.038 120.614 119.600 -0.039 0.000 2.346 885 M HA 0.446 4.927 4.480 0.001 0.000 0.237 885 M C -0.167 176.161 176.300 0.045 0.000 1.096 885 M CA -0.689 54.610 55.300 -0.001 0.000 1.713 885 M CB 0.721 33.265 32.600 -0.094 0.000 1.330 885 M HN 0.013 nan 8.290 nan 0.000 0.869 886 K N 0.090 120.570 120.400 0.133 0.000 2.477 886 K HA 0.348 4.668 4.320 0.001 0.000 0.255 886 K C 0.419 177.077 176.600 0.097 0.000 0.952 886 K CA -0.592 55.765 56.287 0.115 0.000 0.826 886 K CB 1.329 33.918 32.500 0.149 0.000 1.331 886 K HN 0.523 nan 8.250 nan 0.000 0.437 887 H N 0.901 120.016 119.070 0.075 0.000 2.353 887 H HA -0.061 4.496 4.556 0.001 0.000 0.300 887 H C 0.974 176.340 175.328 0.064 0.000 1.090 887 H CA 1.629 57.710 56.048 0.055 0.000 1.327 887 H CB 0.180 29.956 29.762 0.023 0.000 1.383 887 H HN 0.790 nan 8.280 nan 0.000 0.508 888 G N 0.432 109.326 108.800 0.157 0.000 2.902 888 G HA2 -0.095 3.865 3.960 0.001 0.000 0.240 888 G HA3 -0.095 3.865 3.960 0.001 0.000 0.240 888 G C -0.245 174.709 174.900 0.090 0.000 1.244 888 G CA -0.001 45.132 45.100 0.054 0.000 0.862 888 G HN 0.221 nan 8.290 nan 0.000 0.603 889 T N 1.496 116.066 114.554 0.026 0.000 2.727 889 T HA 0.218 4.568 4.350 0.001 0.000 0.298 889 T C 0.660 175.379 174.700 0.031 0.000 0.942 889 T CA -0.119 62.020 62.100 0.066 0.000 0.997 889 T CB 0.661 69.545 68.868 0.027 0.000 0.917 889 T HN 0.413 nan 8.240 nan 0.000 0.487 890 Y N 2.065 122.354 120.300 -0.018 0.000 2.200 890 Y HA -0.148 4.403 4.550 0.001 0.000 0.290 890 Y C 2.284 178.169 175.900 -0.024 0.000 1.137 890 Y CA 0.921 59.007 58.100 -0.023 0.000 1.163 890 Y CB -0.260 38.189 38.460 -0.018 0.000 0.988 890 Y HN 0.629 nan 8.280 nan 0.000 0.518 891 D N 0.375 120.856 120.400 0.135 0.000 3.181 891 D HA -0.318 4.323 4.640 0.001 0.000 0.190 891 D C 1.732 178.048 176.300 0.026 0.000 1.155 891 D CA 2.140 56.178 54.000 0.065 0.000 0.901 891 D CB -0.356 40.469 40.800 0.041 0.000 0.891 891 D HN 0.410 nan 8.370 nan 0.000 0.498 892 K N -0.048 120.349 120.400 -0.005 0.000 2.283 892 K HA -0.014 4.306 4.320 0.001 0.000 0.202 892 K C 0.924 177.504 176.600 -0.033 0.000 1.048 892 K CA 0.037 56.307 56.287 -0.029 0.000 0.948 892 K CB -0.016 32.450 32.500 -0.055 0.000 0.742 892 K HN 0.177 nan 8.250 nan 0.000 0.458 893 L N 1.988 123.194 121.223 -0.028 0.000 2.453 893 L HA -0.054 4.286 4.340 0.001 0.000 0.272 893 L C 0.474 177.341 176.870 -0.004 0.000 1.182 893 L CA -0.195 54.629 54.840 -0.027 0.000 0.858 893 L CB 0.458 42.514 42.059 -0.005 0.000 1.120 893 L HN 0.081 nan 8.230 nan 0.000 0.474 894 D N 0.943 121.333 120.400 -0.017 0.000 2.315 894 D HA -0.002 4.638 4.640 0.001 0.000 0.275 894 D C 0.619 176.925 176.300 0.009 0.000 1.218 894 D CA 0.012 54.009 54.000 -0.006 0.000 1.040 894 D CB 0.456 41.247 40.800 -0.015 0.000 1.123 894 D HN 0.513 nan 8.370 nan 0.000 0.541 895 D N -1.408 118.999 120.400 0.012 0.000 2.271 895 D HA -0.022 4.618 4.640 0.001 0.000 0.206 895 D C 0.744 177.065 176.300 0.035 0.000 0.967 895 D CA 0.479 54.494 54.000 0.026 0.000 0.867 895 D CB 0.013 40.828 40.800 0.024 0.000 0.960 895 D HN 0.373 nan 8.370 nan 0.000 0.509 896 D N -0.510 119.902 120.400 0.020 0.000 2.378 896 D HA 0.061 4.702 4.640 0.001 0.000 0.227 896 D C 1.378 177.683 176.300 0.008 0.000 1.012 896 D CA 0.632 54.649 54.000 0.029 0.000 0.905 896 D CB -0.350 40.453 40.800 0.005 0.000 0.895 896 D HN 0.140 nan 8.370 nan 0.000 0.532 897 G N -0.342 108.455 108.800 -0.004 0.000 2.160 897 G HA2 -0.216 3.745 3.960 0.001 0.000 0.244 897 G HA3 -0.216 3.745 3.960 0.001 0.000 0.244 897 G C -0.229 174.580 174.900 -0.152 0.000 1.022 897 G CA 0.276 45.358 45.100 -0.031 0.000 0.741 897 G HN 0.412 nan 8.290 nan 0.000 0.508 898 L N -0.710 120.433 121.223 -0.133 0.000 2.393 898 L HA 0.658 4.998 4.340 0.001 0.000 0.260 898 L C 0.464 177.270 176.870 -0.106 0.000 1.002 898 L CA -1.403 53.340 54.840 -0.162 0.000 0.818 898 L CB 2.030 43.981 42.059 -0.181 0.000 1.369 898 L HN 0.003 nan 8.230 nan 0.000 0.412 899 I N 1.608 122.113 120.570 -0.108 0.000 2.428 899 I HA 0.402 4.572 4.170 0.001 0.000 0.289 899 I C 0.594 176.673 176.117 -0.064 0.000 1.019 899 I CA -0.253 60.998 61.300 -0.082 0.000 1.351 899 I CB 1.621 39.567 38.000 -0.090 0.000 1.412 899 I HN 0.651 nan 8.210 nan 0.000 0.513 900 A N 7.652 130.444 122.820 -0.048 0.000 2.388 900 A HA 0.393 4.713 4.320 0.001 0.000 0.257 900 A C -1.576 175.988 177.584 -0.033 0.000 1.095 900 A CA -1.289 50.726 52.037 -0.036 0.000 0.791 900 A CB 0.082 19.066 19.000 -0.027 0.000 1.029 900 A HN 0.567 nan 8.150 nan 0.000 0.489 901 P HA -0.261 nan 4.420 nan 0.000 0.219 901 P C 1.701 178.988 177.300 -0.022 0.000 1.158 901 P CA 2.448 65.536 63.100 -0.020 0.000 0.895 901 P CB 0.098 31.793 31.700 -0.007 0.000 0.792 902 G N -0.706 108.083 108.800 -0.018 0.000 2.442 902 G HA2 -0.183 3.777 3.960 0.001 0.000 0.219 902 G HA3 -0.183 3.777 3.960 0.001 0.000 0.219 902 G C 0.445 175.330 174.900 -0.024 0.000 1.141 902 G CA 0.298 45.387 45.100 -0.018 0.000 0.763 902 G HN 0.206 nan 8.290 nan 0.000 0.554 903 V N 0.031 119.928 119.914 -0.029 0.000 2.975 903 V HA 0.002 4.122 4.120 0.001 0.000 0.300 903 V C 0.878 176.948 176.094 -0.039 0.000 1.186 903 V CA 0.415 62.695 62.300 -0.034 0.000 1.311 903 V CB 0.556 32.354 31.823 -0.042 0.000 0.917 903 V HN 0.385 nan 8.190 nan 0.000 0.512 904 R N 2.780 123.257 120.500 -0.037 0.000 2.287 904 R HA 0.517 4.857 4.340 0.001 0.000 0.316 904 R C -0.632 175.640 176.300 -0.046 0.000 1.050 904 R CA -0.448 55.628 56.100 -0.040 0.000 0.983 904 R CB 1.044 31.326 30.300 -0.030 0.000 1.140 904 R HN 0.756 nan 8.270 nan 0.000 0.528 905 V N 1.175 121.055 119.914 -0.057 0.000 2.863 905 V HA 0.677 4.798 4.120 0.001 0.000 0.307 905 V C 0.320 176.379 176.094 -0.058 0.000 1.061 905 V CA -0.050 62.211 62.300 -0.065 0.000 1.024 905 V CB 1.697 33.470 31.823 -0.082 0.000 1.049 905 V HN 0.848 nan 8.190 nan 0.000 0.471 906 S N 2.153 117.819 115.700 -0.057 0.000 3.865 906 S HA 0.543 5.014 4.470 0.001 0.000 0.182 906 S C 1.459 176.031 174.600 -0.047 0.000 1.141 906 S CA 0.209 58.382 58.200 -0.046 0.000 1.257 906 S CB -0.115 63.064 63.200 -0.035 0.000 1.779 906 S HN 1.452 nan 8.310 nan 0.000 0.816 907 G N 1.481 110.257 108.800 -0.040 0.000 2.304 907 G HA2 -0.113 3.848 3.960 0.001 0.000 0.192 907 G HA3 -0.113 3.848 3.960 0.001 0.000 0.192 907 G C 0.299 175.169 174.900 -0.050 0.000 1.314 907 G CA 1.070 46.147 45.100 -0.038 0.000 0.966 907 G HN 0.734 nan 8.290 nan 0.000 0.550 908 E N 1.045 121.214 120.200 -0.052 0.000 2.496 908 E HA 0.169 4.519 4.350 0.001 0.000 0.200 908 E C -0.620 175.921 176.600 -0.098 0.000 1.016 908 E CA -0.270 56.090 56.400 -0.066 0.000 0.962 908 E CB 0.177 29.857 29.700 -0.034 0.000 1.071 908 E HN 0.484 nan 8.360 nan 0.000 0.457 909 D N 0.719 121.056 120.400 -0.105 0.000 2.429 909 D HA -0.069 4.571 4.640 0.001 0.000 0.233 909 D C 0.077 176.246 176.300 -0.219 0.000 1.202 909 D CA 0.263 54.180 54.000 -0.138 0.000 0.879 909 D CB 0.707 41.437 40.800 -0.117 0.000 1.212 909 D HN -0.179 nan 8.370 nan 0.000 0.465 910 V N 1.458 121.194 119.914 -0.296 0.000 2.732 910 V HA 0.162 4.282 4.120 0.001 0.000 0.297 910 V C 1.169 177.078 176.094 -0.308 0.000 1.060 910 V CA -0.101 61.965 62.300 -0.392 0.000 1.038 910 V CB 1.304 32.717 31.823 -0.683 0.000 1.003 910 V HN 0.532 nan 8.190 nan 0.000 0.481 911 I N 2.890 123.274 120.570 -0.310 0.000 4.471 911 I HA 0.356 4.526 4.170 0.001 0.000 0.326 911 I C -0.028 175.950 176.117 -0.233 0.000 1.300 911 I CA 0.596 61.737 61.300 -0.264 0.000 1.237 911 I CB 0.721 38.521 38.000 -0.333 0.000 1.195 911 I HN 0.378 nan 8.210 nan 0.000 0.427 912 I N 0.962 121.395 120.570 -0.229 0.000 2.571 912 I HA 0.304 4.474 4.170 0.001 0.000 0.286 912 I C -0.227 175.836 176.117 -0.090 0.000 1.134 912 I CA -0.507 60.676 61.300 -0.195 0.000 1.052 912 I CB 1.978 39.864 38.000 -0.190 0.000 1.237 912 I HN -0.071 nan 8.210 nan 0.000 0.435 913 G N 5.391 114.174 108.800 -0.028 0.000 2.325 913 G HA2 0.539 4.499 3.960 0.001 0.000 0.298 913 G HA3 0.539 4.499 3.960 0.001 0.000 0.298 913 G C -0.858 174.212 174.900 0.283 0.000 1.134 913 G CA -0.246 44.932 45.100 0.131 0.000 0.876 913 G HN 0.577 nan 8.290 nan 0.000 0.452 914 K N 0.896 121.460 120.400 0.274 0.000 2.502 914 K HA 0.675 4.995 4.320 0.001 0.000 0.257 914 K C -0.895 175.792 176.600 0.145 0.000 0.938 914 K CA -0.668 55.788 56.287 0.282 0.000 0.819 914 K CB 2.112 34.791 32.500 0.299 0.000 1.333 914 K HN 0.598 nan 8.250 nan 0.000 0.434 915 T N -0.714 113.886 114.554 0.078 0.000 2.900 915 T HA 0.481 4.831 4.350 0.001 0.000 0.295 915 T C -0.789 173.924 174.700 0.023 0.000 1.044 915 T CA -0.729 61.401 62.100 0.049 0.000 0.995 915 T CB 1.765 70.657 68.868 0.040 0.000 1.072 915 T HN 0.352 nan 8.240 nan 0.000 0.473 916 T N 4.306 118.874 114.554 0.024 0.000 2.809 916 T HA 0.575 4.925 4.350 0.001 0.000 0.284 916 T C -2.783 171.912 174.700 -0.009 0.000 0.992 916 T CA -1.206 60.905 62.100 0.019 0.000 0.957 916 T CB 1.618 70.511 68.868 0.042 0.000 0.942 916 T HN 0.544 nan 8.240 nan 0.000 0.439 917 P HA 0.524 nan 4.420 nan 0.000 0.287 917 P C -0.981 176.270 177.300 -0.081 0.000 1.294 917 P CA -0.385 62.684 63.100 -0.051 0.000 0.776 917 P CB 0.893 32.561 31.700 -0.054 0.000 0.889 918 I N 2.509 123.042 120.570 -0.062 0.000 2.569 918 I HA 0.267 4.437 4.170 0.001 0.000 0.290 918 I C 0.355 176.442 176.117 -0.051 0.000 1.088 918 I CA -0.370 60.890 61.300 -0.067 0.000 1.047 918 I CB 2.446 40.418 38.000 -0.047 0.000 1.237 918 I HN 0.408 nan 8.210 nan 0.000 0.421 934 K N 2.962 123.349 120.400 -0.022 0.000 2.291 934 K HA 0.379 4.700 4.320 0.001 0.000 0.242 934 K C -0.687 175.902 176.600 -0.017 0.000 1.098 934 K CA -0.244 56.030 56.287 -0.020 0.000 1.036 934 K CB 0.622 33.103 32.500 -0.032 0.000 1.655 934 K HN 0.334 nan 8.250 nan 0.000 0.432 935 R N 1.443 121.939 120.500 -0.006 0.000 2.312 935 R HA 0.191 4.532 4.340 0.001 0.000 0.311 935 R C -0.191 176.122 176.300 0.021 0.000 1.004 935 R CA -0.770 55.332 56.100 0.003 0.000 0.902 935 R CB 1.186 31.489 30.300 0.006 0.000 1.073 935 R HN 0.395 nan 8.270 nan 0.000 0.457 936 D N 1.584 122.002 120.400 0.031 0.000 2.329 936 D HA 0.262 4.902 4.640 0.001 0.000 0.246 936 D C -0.294 176.047 176.300 0.069 0.000 1.111 936 D CA -0.136 53.903 54.000 0.065 0.000 0.941 936 D CB 1.545 42.402 40.800 0.095 0.000 1.169 936 D HN 0.633 nan 8.370 nan 0.000 0.441 937 A N 1.858 124.731 122.820 0.089 0.000 2.538 937 A HA 0.214 4.534 4.320 0.001 0.000 0.276 937 A C 0.277 177.917 177.584 0.093 0.000 0.908 937 A CA -0.377 51.709 52.037 0.082 0.000 1.042 937 A CB 0.065 19.112 19.000 0.079 0.000 1.218 937 A HN 0.352 nan 8.150 nan 0.000 0.517 938 S N 0.931 116.689 115.700 0.096 0.000 2.589 938 S HA 0.418 4.888 4.470 0.001 0.000 0.265 938 S C 0.340 174.930 174.600 -0.017 0.000 1.342 938 S CA 0.410 58.641 58.200 0.052 0.000 1.005 938 S CB 0.565 63.786 63.200 0.036 0.000 0.909 938 S HN 0.479 nan 8.310 nan 0.000 0.555 939 T N 4.015 118.516 114.554 -0.089 0.000 2.791 939 T HA 0.494 4.845 4.350 0.001 0.000 0.288 939 T C -2.693 171.843 174.700 -0.274 0.000 0.999 939 T CA -1.245 60.765 62.100 -0.150 0.000 0.952 939 T CB 1.413 70.192 68.868 -0.150 0.000 0.938 939 T HN 0.368 nan 8.240 nan 0.000 0.444 940 P HA 0.410 nan 4.420 nan 0.000 0.293 940 P C -0.429 176.639 177.300 -0.386 0.000 1.291 940 P CA -0.944 61.985 63.100 -0.285 0.000 0.867 940 P CB 1.313 32.913 31.700 -0.167 0.000 1.074 941 L N 3.539 124.519 121.223 -0.404 0.000 2.540 941 L HA 0.054 4.395 4.340 0.001 0.000 0.276 941 L C 0.954 177.746 176.870 -0.130 0.000 1.212 941 L CA 0.350 54.965 54.840 -0.375 0.000 0.893 941 L CB -0.294 41.645 42.059 -0.200 0.000 1.138 941 L HN 0.322 nan 8.230 nan 0.000 0.491 942 R N 3.405 123.929 120.500 0.040 0.000 2.485 942 R HA -0.102 4.239 4.340 0.001 0.000 0.304 942 R C 1.671 177.981 176.300 0.017 0.000 0.934 942 R CA 0.680 56.820 56.100 0.066 0.000 1.102 942 R CB 0.179 30.558 30.300 0.131 0.000 0.906 942 R HN 1.044 nan 8.270 nan 0.000 0.407 943 S N 1.865 117.563 115.700 -0.004 0.000 2.457 943 S HA -0.348 4.122 4.470 0.001 0.000 0.269 943 S C 1.883 176.477 174.600 -0.010 0.000 1.139 943 S CA 2.425 60.616 58.200 -0.015 0.000 1.176 943 S CB -0.870 62.320 63.200 -0.017 0.000 1.088 943 S HN 0.837 nan 8.310 nan 0.000 0.443 944 T N -0.524 114.030 114.554 -0.001 0.000 2.894 944 T HA 0.169 4.520 4.350 0.001 0.000 0.258 944 T C 0.913 175.619 174.700 0.010 0.000 1.043 944 T CA 0.547 62.649 62.100 0.003 0.000 1.141 944 T CB -0.623 68.247 68.868 0.004 0.000 0.873 944 T HN 0.599 nan 8.240 nan 0.000 0.449 945 E N 2.590 122.804 120.200 0.022 0.000 2.455 945 E HA 0.275 4.625 4.350 0.001 0.000 0.259 945 E C -0.042 176.554 176.600 -0.007 0.000 1.245 945 E CA 0.269 56.679 56.400 0.018 0.000 1.013 945 E CB 0.166 29.877 29.700 0.019 0.000 0.978 945 E HN 0.718 nan 8.360 nan 0.000 0.479 946 N N -0.848 117.837 118.700 -0.025 0.000 3.217 946 N HA 0.390 5.131 4.740 0.001 0.000 0.236 946 N C -0.659 174.818 175.510 -0.055 0.000 1.136 946 N CA -0.018 53.009 53.050 -0.037 0.000 0.997 946 N CB 0.999 39.471 38.487 -0.026 0.000 1.658 946 N HN 0.594 nan 8.380 nan 0.000 0.527 947 G N 0.338 109.099 108.800 -0.064 0.000 2.552 947 G HA2 0.373 4.333 3.960 0.001 0.000 0.137 947 G HA3 0.373 4.333 3.960 0.001 0.000 0.137 947 G C -1.837 173.016 174.900 -0.078 0.000 1.135 947 G CA -0.511 44.541 45.100 -0.079 0.000 1.047 947 G HN 0.615 nan 8.290 nan 0.000 0.501 948 I N 0.868 121.378 120.570 -0.100 0.000 2.582 948 I HA 0.465 4.635 4.170 0.001 0.000 0.292 948 I C 0.568 176.626 176.117 -0.098 0.000 1.066 948 I CA -1.071 60.178 61.300 -0.085 0.000 1.053 948 I CB 2.148 40.105 38.000 -0.072 0.000 1.241 948 I HN 0.314 nan 8.210 nan 0.000 0.421 949 V N 3.686 123.558 119.914 -0.071 0.000 3.625 949 V HA -0.069 4.051 4.120 0.001 0.000 0.302 949 V C 0.537 176.595 176.094 -0.059 0.000 1.112 949 V CA 0.947 63.210 62.300 -0.061 0.000 1.173 949 V CB 0.884 32.678 31.823 -0.047 0.000 1.096 949 V HN 1.046 nan 8.190 nan 0.000 0.486 950 D N -1.307 119.073 120.400 -0.033 0.000 2.204 950 D HA 0.128 4.768 4.640 0.001 0.000 0.337 950 D C 0.024 176.350 176.300 0.043 0.000 1.054 950 D CA 0.047 54.047 54.000 0.000 0.000 0.869 950 D CB 0.578 41.369 40.800 -0.015 0.000 1.548 950 D HN 0.540 nan 8.370 nan 0.000 0.530 951 Q N 0.879 120.698 119.800 0.033 0.000 2.825 951 Q HA 0.261 4.601 4.340 0.001 0.000 0.219 951 Q C -1.924 174.085 176.000 0.015 0.000 0.942 951 Q CA -0.403 55.420 55.803 0.035 0.000 1.147 951 Q CB 1.142 29.921 28.738 0.069 0.000 1.723 951 Q HN -0.002 nan 8.270 nan 0.000 0.541 952 V N 3.537 123.447 119.914 -0.007 0.000 3.345 952 V HA 0.780 4.901 4.120 0.001 0.000 0.308 952 V C -0.124 175.956 176.094 -0.022 0.000 1.168 952 V CA -0.703 61.578 62.300 -0.031 0.000 1.024 952 V CB 1.952 33.742 31.823 -0.056 0.000 1.211 952 V HN 0.768 nan 8.190 nan 0.000 0.461 953 L N -0.512 120.687 121.223 -0.039 0.000 2.982 953 L HA 0.579 4.920 4.340 0.001 0.000 0.262 953 L C -1.812 175.049 176.870 -0.014 0.000 0.932 953 L CA -0.618 54.215 54.840 -0.013 0.000 1.058 953 L CB 1.405 43.471 42.059 0.012 0.000 1.665 953 L HN 0.335 nan 8.230 nan 0.000 0.499 954 V N 2.785 122.705 119.914 0.011 0.000 2.370 954 V HA 0.756 4.876 4.120 0.001 0.000 0.279 954 V C 0.411 176.562 176.094 0.096 0.000 1.029 954 V CA 0.156 62.483 62.300 0.045 0.000 0.870 954 V CB 1.280 33.128 31.823 0.041 0.000 0.984 954 V HN 0.953 nan 8.190 nan 0.000 0.451 955 T N 2.572 117.227 114.554 0.169 0.000 2.804 955 T HA 0.574 4.924 4.350 0.001 0.000 0.290 955 T C -0.279 174.557 174.700 0.226 0.000 1.099 955 T CA -0.604 61.613 62.100 0.196 0.000 1.011 955 T CB 2.127 71.152 68.868 0.261 0.000 1.291 955 T HN 0.620 nan 8.240 nan 0.000 0.523 956 T N 2.018 116.660 114.554 0.146 0.000 2.888 956 T HA 0.630 4.980 4.350 0.001 0.000 0.284 956 T C -0.548 174.164 174.700 0.021 0.000 1.017 956 T CA -0.822 61.336 62.100 0.098 0.000 1.022 956 T CB 1.156 70.053 68.868 0.049 0.000 1.013 956 T HN 0.551 nan 8.240 nan 0.000 0.465 957 N N 0.961 119.649 118.700 -0.020 0.000 2.399 957 N HA 0.225 4.965 4.740 0.001 0.000 0.280 957 N C 1.086 176.554 175.510 -0.070 0.000 1.008 957 N CA -0.452 52.516 53.050 -0.136 0.000 0.894 957 N CB 0.975 39.304 38.487 -0.263 0.000 1.273 957 N HN 0.699 nan 8.380 nan 0.000 0.486 958 Q N 1.187 120.949 119.800 -0.062 0.000 2.629 958 Q HA -0.378 3.962 4.340 0.001 0.000 0.236 958 Q C 0.073 176.065 176.000 -0.015 0.000 1.166 958 Q CA 2.734 58.520 55.803 -0.029 0.000 1.024 958 Q CB -0.632 28.090 28.738 -0.027 0.000 0.949 958 Q HN 0.759 nan 8.270 nan 0.000 0.570 959 D N -0.888 119.501 120.400 -0.018 0.000 2.403 959 D HA -0.012 4.629 4.640 0.001 0.000 0.227 959 D C 1.150 177.450 176.300 0.000 0.000 0.995 959 D CA 1.325 55.320 54.000 -0.008 0.000 0.928 959 D CB -0.074 40.718 40.800 -0.014 0.000 0.887 959 D HN 0.667 nan 8.370 nan 0.000 0.529 960 G N 0.602 109.404 108.800 0.003 0.000 2.132 960 G HA2 -0.263 3.698 3.960 0.001 0.000 0.234 960 G HA3 -0.263 3.698 3.960 0.001 0.000 0.234 960 G C 0.186 175.101 174.900 0.025 0.000 0.989 960 G CA -0.186 44.923 45.100 0.015 0.000 0.676 960 G HN 0.305 nan 8.290 nan 0.000 0.522 961 L N 0.108 121.348 121.223 0.028 0.000 2.350 961 L HA 0.426 4.766 4.340 0.001 0.000 0.275 961 L C 0.968 177.903 176.870 0.107 0.000 1.099 961 L CA -0.688 54.179 54.840 0.045 0.000 0.808 961 L CB 0.850 42.934 42.059 0.041 0.000 1.149 961 L HN -0.020 nan 8.230 nan 0.000 0.442 962 K N 2.656 123.119 120.400 0.105 0.000 2.378 962 K HA 0.189 4.509 4.320 0.001 0.000 0.288 962 K C -0.883 175.932 176.600 0.359 0.000 1.057 962 K CA 0.007 56.421 56.287 0.212 0.000 0.971 962 K CB 0.380 33.003 32.500 0.206 0.000 0.975 962 K HN 0.244 nan 8.250 nan 0.000 0.475 963 F N 3.711 123.763 119.950 0.170 0.000 2.436 963 F HA 0.385 4.913 4.527 0.001 0.000 0.340 963 F C -0.681 175.216 175.800 0.163 0.000 1.113 963 F CA -0.846 57.252 58.000 0.162 0.000 1.022 963 F CB 1.132 40.189 39.000 0.095 0.000 1.128 963 F HN 0.094 nan 8.300 nan 0.000 0.466 964 V N 6.063 125.789 119.914 -0.312 0.000 2.668 964 V HA 0.385 4.505 4.120 0.001 0.000 0.304 964 V C -1.025 174.826 176.094 -0.404 0.000 1.071 964 V CA -1.036 61.090 62.300 -0.290 0.000 0.894 964 V CB 2.299 33.967 31.823 -0.258 0.000 1.008 964 V HN 0.648 nan 8.190 nan 0.000 0.425 965 K N 3.550 123.779 120.400 -0.286 0.000 2.376 965 K HA 0.783 5.104 4.320 0.001 0.000 0.257 965 K C -1.226 175.319 176.600 -0.093 0.000 0.939 965 K CA -0.579 55.592 56.287 -0.194 0.000 0.809 965 K CB 2.452 34.864 32.500 -0.146 0.000 1.121 965 K HN 0.455 nan 8.250 nan 0.000 0.425 966 V N 2.553 122.440 119.914 -0.045 0.000 2.769 966 V HA 0.534 4.654 4.120 0.001 0.000 0.312 966 V C -0.277 175.839 176.094 0.037 0.000 1.058 966 V CA -0.996 61.301 62.300 -0.005 0.000 0.952 966 V CB 1.783 33.608 31.823 0.003 0.000 1.019 966 V HN 0.709 nan 8.190 nan 0.000 0.445 967 R N 1.729 122.248 120.500 0.033 0.000 2.538 967 R HA 0.742 5.082 4.340 0.001 0.000 0.292 967 R C -2.034 174.260 176.300 -0.010 0.000 1.008 967 R CA -0.375 55.743 56.100 0.030 0.000 0.896 967 R CB 2.157 32.514 30.300 0.095 0.000 1.187 967 R HN 0.573 nan 8.270 nan 0.000 0.440 968 V N 4.611 124.478 119.914 -0.079 0.000 2.513 968 V HA 0.542 4.663 4.120 0.001 0.000 0.299 968 V C -0.176 175.700 176.094 -0.364 0.000 1.035 968 V CA -0.762 61.442 62.300 -0.160 0.000 0.889 968 V CB 1.665 33.425 31.823 -0.105 0.000 0.988 968 V HN 0.649 nan 8.190 nan 0.000 0.440 969 R N 2.696 122.942 120.500 -0.423 0.000 2.494 969 R HA 0.694 5.035 4.340 0.001 0.000 0.305 969 R C -1.172 174.887 176.300 -0.402 0.000 0.959 969 R CA -0.166 55.517 56.100 -0.693 0.000 0.864 969 R CB 1.986 31.745 30.300 -0.902 0.000 1.159 969 R HN 0.799 nan 8.270 nan 0.000 0.446 970 T N 1.767 116.116 114.554 -0.342 0.000 2.906 970 T HA 0.355 4.705 4.350 0.001 0.000 0.295 970 T C -0.805 173.888 174.700 -0.012 0.000 1.061 970 T CA -0.500 61.521 62.100 -0.132 0.000 1.000 970 T CB 1.911 70.730 68.868 -0.083 0.000 1.103 970 T HN 0.445 nan 8.240 nan 0.000 0.486 971 T N 3.064 117.631 114.554 0.023 0.000 2.772 971 T HA 0.388 4.738 4.350 0.001 0.000 0.288 971 T C -0.295 174.401 174.700 -0.007 0.000 0.994 971 T CA -0.677 61.451 62.100 0.046 0.000 0.951 971 T CB 0.446 69.365 68.868 0.086 0.000 0.933 971 T HN 0.324 nan 8.240 nan 0.000 0.447 972 K N 3.675 124.059 120.400 -0.026 0.000 2.240 972 K HA 0.508 4.829 4.320 0.001 0.000 0.271 972 K C -0.287 176.251 176.600 -0.102 0.000 1.018 972 K CA -0.524 55.737 56.287 -0.043 0.000 0.874 972 K CB 1.537 34.023 32.500 -0.023 0.000 1.098 972 K HN 0.516 nan 8.250 nan 0.000 0.458 973 I N 5.038 125.560 120.570 -0.079 0.000 2.428 973 I HA 0.223 4.393 4.170 0.001 0.000 0.296 973 I C -1.810 174.289 176.117 -0.029 0.000 0.985 973 I CA -2.495 58.761 61.300 -0.073 0.000 1.260 973 I CB 1.290 39.258 38.000 -0.054 0.000 1.389 973 I HN 0.369 nan 8.210 nan 0.000 0.484 974 P HA 0.036 nan 4.420 nan 0.000 0.267 974 P C -1.004 176.314 177.300 0.030 0.000 1.205 974 P CA 0.137 63.281 63.100 0.073 0.000 0.765 974 P CB 1.259 33.090 31.700 0.218 0.000 0.828 975 Q N 2.126 121.920 119.800 -0.010 0.000 2.990 975 Q HA 0.377 4.717 4.340 0.001 0.000 0.255 975 Q C 1.237 177.223 176.000 -0.023 0.000 1.040 975 Q CA -0.888 54.902 55.803 -0.021 0.000 0.897 975 Q CB 1.353 30.066 28.738 -0.043 0.000 1.429 975 Q HN 0.240 nan 8.270 nan 0.000 0.497 976 I N -0.023 120.529 120.570 -0.030 0.000 2.500 976 I HA -0.052 4.118 4.170 0.001 0.000 0.252 976 I C 1.655 177.743 176.117 -0.048 0.000 1.142 976 I CA 1.266 62.550 61.300 -0.027 0.000 1.451 976 I CB -0.180 37.807 38.000 -0.021 0.000 1.093 976 I HN 0.816 nan 8.210 nan 0.000 0.430 977 G N 0.006 108.763 108.800 -0.071 0.000 2.623 977 G HA2 -0.087 3.874 3.960 0.001 0.000 0.214 977 G HA3 -0.087 3.874 3.960 0.001 0.000 0.214 977 G C 0.178 174.988 174.900 -0.151 0.000 1.138 977 G CA -0.141 44.902 45.100 -0.094 0.000 0.794 977 G HN 0.275 nan 8.290 nan 0.000 0.535 978 D N 0.545 120.824 120.400 -0.201 0.000 2.506 978 D HA 0.197 4.838 4.640 0.001 0.000 0.234 978 D C 0.443 176.435 176.300 -0.514 0.000 1.143 978 D CA 0.652 54.429 54.000 -0.372 0.000 0.871 978 D CB 0.937 41.471 40.800 -0.443 0.000 1.190 978 D HN 0.077 nan 8.370 nan 0.000 0.459 979 K N 1.577 121.630 120.400 -0.579 0.000 2.143 979 K HA 0.529 4.849 4.320 0.001 0.000 0.272 979 K C -0.997 175.115 176.600 -0.812 0.000 1.001 979 K CA -0.397 55.599 56.287 -0.485 0.000 0.915 979 K CB 0.638 32.975 32.500 -0.272 0.000 1.047 979 K HN 0.350 nan 8.250 nan 0.000 0.458 980 F N 0.460 120.336 119.950 -0.123 0.000 2.664 980 F HA 0.688 5.215 4.527 0.001 0.000 0.317 980 F C -0.645 175.175 175.800 0.033 0.000 1.108 980 F CA -0.946 56.977 58.000 -0.127 0.000 0.957 980 F CB 2.471 41.316 39.000 -0.258 0.000 1.365 980 F HN 0.575 nan 8.300 nan 0.000 0.475 981 A N 0.702 123.780 122.820 0.430 0.000 2.590 981 A HA 0.586 4.907 4.320 0.001 0.000 0.296 981 A C -0.725 177.012 177.584 0.255 0.000 1.050 981 A CA -0.312 51.954 52.037 0.382 0.000 0.697 981 A CB 0.966 20.074 19.000 0.181 0.000 1.277 981 A HN 0.867 nan 8.150 nan 0.000 0.411 982 S N 1.050 116.726 115.700 -0.039 0.000 2.393 982 S HA 0.553 5.023 4.470 0.001 0.000 0.255 982 S C 0.369 174.911 174.600 -0.097 0.000 1.210 982 S CA -0.194 57.727 58.200 -0.465 0.000 1.013 982 S CB 0.200 63.175 63.200 -0.374 0.000 1.055 982 S HN 0.682 nan 8.310 nan 0.000 0.483 983 R N 0.383 120.852 120.500 -0.052 0.000 2.997 983 R HA 0.388 4.729 4.340 0.001 0.000 0.358 983 R C -0.491 175.520 176.300 -0.483 0.000 1.191 983 R CA -0.202 55.773 56.100 -0.207 0.000 1.113 983 R CB -0.045 30.104 30.300 -0.250 0.000 1.433 983 R HN 0.617 nan 8.270 nan 0.000 0.584 984 H N -0.709 118.392 119.070 0.050 0.000 3.204 984 H HA 0.140 4.696 4.556 0.001 0.000 0.240 984 H C 0.574 175.931 175.328 0.047 0.000 1.259 984 H CA 0.039 56.122 56.048 0.058 0.000 0.991 984 H CB 1.450 31.278 29.762 0.110 0.000 2.583 984 H HN 0.522 nan 8.280 nan 0.000 0.638 985 G N 2.159 111.043 108.800 0.141 0.000 2.283 985 G HA2 -0.348 3.612 3.960 0.001 0.000 0.280 985 G HA3 -0.348 3.612 3.960 0.001 0.000 0.280 985 G C 0.704 175.703 174.900 0.164 0.000 1.029 985 G CA 0.621 45.828 45.100 0.178 0.000 0.840 985 G HN 0.356 nan 8.290 nan 0.000 0.505 986 Q N 0.288 120.182 119.800 0.158 0.000 2.253 986 Q HA 0.184 4.524 4.340 0.001 0.000 0.210 986 Q C 1.477 177.577 176.000 0.166 0.000 0.907 986 Q CA 0.240 56.127 55.803 0.141 0.000 0.948 986 Q CB -0.092 28.739 28.738 0.156 0.000 1.033 986 Q HN 0.806 nan 8.270 nan 0.000 0.471 987 K N -0.844 119.642 120.400 0.143 0.000 2.548 987 K HA 0.184 4.505 4.320 0.001 0.000 0.277 987 K C 0.102 176.758 176.600 0.094 0.000 1.001 987 K CA 0.942 57.296 56.287 0.112 0.000 1.102 987 K CB 0.068 32.604 32.500 0.061 0.000 0.848 987 K HN 0.153 nan 8.250 nan 0.000 0.487 988 G N 1.430 110.283 108.800 0.089 0.000 2.667 988 G HA2 0.418 4.379 3.960 0.001 0.000 0.294 988 G HA3 0.418 4.379 3.960 0.001 0.000 0.294 988 G C -1.147 173.774 174.900 0.035 0.000 1.467 988 G CA -0.531 44.604 45.100 0.059 0.000 0.852 988 G HN 0.812 nan 8.290 nan 0.000 0.521 989 T N -1.330 113.224 114.554 -0.000 0.000 2.940 989 T HA 0.750 5.101 4.350 0.001 0.000 0.288 989 T C 0.510 175.216 174.700 0.009 0.000 1.045 989 T CA -0.786 61.294 62.100 -0.033 0.000 1.018 989 T CB 1.225 70.041 68.868 -0.087 0.000 1.151 989 T HN 0.530 nan 8.240 nan 0.000 0.529 990 I N 1.000 121.578 120.570 0.013 0.000 2.938 990 I HA 0.379 4.550 4.170 0.001 0.000 0.285 990 I C 1.527 177.660 176.117 0.026 0.000 1.182 990 I CA 0.153 61.479 61.300 0.044 0.000 1.388 990 I CB 0.632 38.665 38.000 0.055 0.000 1.390 990 I HN 1.017 nan 8.210 nan 0.000 0.600 991 G N 5.190 114.026 108.800 0.059 0.000 2.649 991 G HA2 0.365 4.325 3.960 0.001 0.000 0.199 991 G HA3 0.365 4.325 3.960 0.001 0.000 0.199 991 G C 0.026 175.003 174.900 0.127 0.000 1.085 991 G CA 0.203 45.352 45.100 0.080 0.000 0.804 991 G HN 0.512 nan 8.290 nan 0.000 0.671 992 I N 1.137 121.752 120.570 0.074 0.000 2.793 992 I HA 0.372 4.542 4.170 0.001 0.000 0.295 992 I C -1.381 174.652 176.117 -0.140 0.000 1.610 992 I CA -0.739 60.524 61.300 -0.061 0.000 0.986 992 I CB 2.175 40.068 38.000 -0.178 0.000 1.402 992 I HN 0.116 nan 8.210 nan 0.000 0.500 993 T N 2.040 116.469 114.554 -0.208 0.000 2.855 993 T HA 0.691 5.041 4.350 0.001 0.000 0.281 993 T C -0.981 173.581 174.700 -0.230 0.000 1.007 993 T CA -0.465 61.562 62.100 -0.122 0.000 1.009 993 T CB 1.565 70.406 68.868 -0.045 0.000 0.983 993 T HN 0.469 nan 8.240 nan 0.000 0.455 994 Y N -0.237 120.075 120.300 0.020 0.000 2.665 994 Y HA 0.693 5.243 4.550 0.001 0.000 0.336 994 Y C 0.626 176.552 175.900 0.045 0.000 1.085 994 Y CA -1.535 56.584 58.100 0.032 0.000 1.096 994 Y CB 2.309 40.803 38.460 0.058 0.000 1.301 994 Y HN 0.522 nan 8.280 nan 0.000 0.493 995 R N -0.299 120.367 120.500 0.276 0.000 2.902 995 R HA 0.444 4.784 4.340 0.001 0.000 0.258 995 R C 0.734 177.127 176.300 0.155 0.000 1.071 995 R CA -0.913 55.287 56.100 0.167 0.000 1.024 995 R CB 1.335 31.712 30.300 0.128 0.000 1.184 995 R HN 0.659 nan 8.270 nan 0.000 0.492 996 R N 0.816 121.390 120.500 0.124 0.000 2.185 996 R HA -0.229 4.111 4.340 0.001 0.000 0.247 996 R C 1.239 177.634 176.300 0.158 0.000 1.159 996 R CA 1.731 57.909 56.100 0.130 0.000 0.988 996 R CB -0.140 30.221 30.300 0.102 0.000 0.871 996 R HN 0.540 nan 8.270 nan 0.000 0.458 997 E N 0.572 120.859 120.200 0.145 0.000 2.031 997 E HA -0.158 4.192 4.350 0.001 0.000 0.193 997 E C 1.435 178.151 176.600 0.193 0.000 0.994 997 E CA 1.426 57.922 56.400 0.160 0.000 0.800 997 E CB -0.143 29.636 29.700 0.131 0.000 0.752 997 E HN 0.319 nan 8.360 nan 0.000 0.447 998 D N -0.342 120.171 120.400 0.188 0.000 2.323 998 D HA -0.002 4.638 4.640 0.001 0.000 0.209 998 D C 0.459 176.757 176.300 -0.004 0.000 0.973 998 D CA 0.188 54.294 54.000 0.177 0.000 0.874 998 D CB -0.033 40.906 40.800 0.231 0.000 0.930 998 D HN 0.148 nan 8.370 nan 0.000 0.521 999 M N 2.280 121.913 119.600 0.054 0.000 2.238 999 M HA 0.147 4.627 4.480 0.001 0.000 0.347 999 M C -2.387 173.881 176.300 -0.052 0.000 1.173 999 M CA -1.702 53.600 55.300 0.004 0.000 1.147 999 M CB 0.893 33.526 32.600 0.056 0.000 1.547 999 M HN -0.260 nan 8.290 nan 0.000 0.455 1000 P HA 0.187 nan 4.420 nan 0.000 0.282 1000 P C -1.494 175.707 177.300 -0.164 0.000 1.262 1000 P CA -0.141 62.706 63.100 -0.421 0.000 0.773 1000 P CB -0.068 31.121 31.700 -0.852 0.000 0.879 1001 F N 0.273 120.258 119.950 0.059 0.000 2.575 1001 F HA 0.756 5.284 4.527 0.001 0.000 0.330 1001 F C -0.191 175.739 175.800 0.216 0.000 1.056 1001 F CA -1.672 56.410 58.000 0.137 0.000 0.964 1001 F CB 0.872 39.931 39.000 0.097 0.000 1.258 1001 F HN 0.214 nan 8.300 nan 0.000 0.484 1002 T N 1.379 116.260 114.554 0.545 0.000 2.758 1002 T HA 0.536 4.887 4.350 0.001 0.000 0.285 1002 T C 1.086 176.007 174.700 0.367 0.000 0.981 1002 T CA -0.053 62.282 62.100 0.392 0.000 0.965 1002 T CB 0.875 69.797 68.868 0.089 0.000 0.927 1002 T HN 1.226 nan 8.240 nan 0.000 0.448 1003 A N 4.588 127.684 122.820 0.460 0.000 1.941 1003 A HA -0.280 4.041 4.320 0.001 0.000 0.233 1003 A C 2.143 179.768 177.584 0.069 0.000 1.649 1003 A CA 2.636 54.811 52.037 0.230 0.000 0.726 1003 A CB -1.179 17.982 19.000 0.269 0.000 0.843 1003 A HN 0.933 nan 8.150 nan 0.000 0.511 1004 E N -1.990 118.264 120.200 0.089 0.000 2.169 1004 E HA -0.194 4.157 4.350 0.001 0.000 0.202 1004 E C 1.703 178.299 176.600 -0.006 0.000 1.016 1004 E CA 1.881 58.309 56.400 0.047 0.000 0.817 1004 E CB -0.421 29.327 29.700 0.080 0.000 0.736 1004 E HN 1.066 nan 8.360 nan 0.000 0.462 1005 G N 0.302 109.094 108.800 -0.014 0.000 2.909 1005 G HA2 -0.228 3.732 3.960 0.001 0.000 0.198 1005 G HA3 -0.228 3.732 3.960 0.001 0.000 0.198 1005 G C 0.564 175.463 174.900 -0.001 0.000 1.124 1005 G CA -0.082 44.978 45.100 -0.067 0.000 0.796 1005 G HN 0.257 nan 8.290 nan 0.000 0.489 1006 I N 0.750 121.320 120.570 -0.001 0.000 3.207 1006 I HA 0.339 4.509 4.170 0.001 0.000 0.318 1006 I C 0.623 176.835 176.117 0.157 0.000 1.200 1006 I CA 0.054 61.364 61.300 0.016 0.000 1.451 1006 I CB 0.117 38.033 38.000 -0.139 0.000 1.299 1006 I HN 0.399 nan 8.210 nan 0.000 0.564 1007 V N 4.810 124.872 119.914 0.246 0.000 3.120 1007 V HA 0.570 4.690 4.120 0.001 0.000 0.303 1007 V C -2.341 173.945 176.094 0.320 0.000 1.238 1007 V CA -1.442 61.058 62.300 0.333 0.000 1.008 1007 V CB 2.627 34.577 31.823 0.212 0.000 1.064 1007 V HN 0.883 nan 8.190 nan 0.000 0.434 1008 P HA 0.379 nan 4.420 nan 0.000 0.276 1008 P C -0.741 176.542 177.300 -0.029 0.000 1.252 1008 P CA 0.041 63.089 63.100 -0.087 0.000 0.802 1008 P CB 1.238 32.674 31.700 -0.439 0.000 1.035 1009 D N -0.684 119.691 120.400 -0.042 0.000 2.422 1009 D HA 0.144 4.785 4.640 0.001 0.000 0.218 1009 D C 0.291 176.557 176.300 -0.056 0.000 1.047 1009 D CA 0.694 54.681 54.000 -0.022 0.000 0.885 1009 D CB 0.444 41.234 40.800 -0.015 0.000 1.035 1009 D HN 0.108 nan 8.370 nan 0.000 0.502 1010 L N 0.400 121.560 121.223 -0.106 0.000 2.303 1010 L HA 0.520 4.860 4.340 0.001 0.000 0.256 1010 L C -1.197 175.586 176.870 -0.145 0.000 1.034 1010 L CA -0.885 53.869 54.840 -0.143 0.000 0.832 1010 L CB 2.371 44.296 42.059 -0.223 0.000 1.403 1010 L HN -0.161 nan 8.230 nan 0.000 0.419 1011 I N 4.006 124.513 120.570 -0.105 0.000 2.743 1011 I HA 0.254 4.425 4.170 0.001 0.000 0.268 1011 I C -0.291 175.808 176.117 -0.029 0.000 1.441 1011 I CA -0.267 60.977 61.300 -0.094 0.000 0.912 1011 I CB 0.999 38.961 38.000 -0.064 0.000 1.410 1011 I HN 0.471 nan 8.210 nan 0.000 0.540 1012 I N 0.210 120.771 120.570 -0.015 0.000 2.519 1012 I HA 0.363 4.533 4.170 0.001 0.000 0.287 1012 I C 0.450 176.580 176.117 0.022 0.000 1.047 1012 I CA -0.018 61.299 61.300 0.028 0.000 1.381 1012 I CB 0.962 39.009 38.000 0.079 0.000 1.417 1012 I HN 0.404 nan 8.210 nan 0.000 0.540 1013 N N 8.136 126.860 118.700 0.040 0.000 2.468 1013 N HA 0.106 4.846 4.740 0.001 0.000 0.265 1013 N C -1.438 174.063 175.510 -0.014 0.000 1.199 1013 N CA -1.373 51.700 53.050 0.038 0.000 0.928 1013 N CB 1.132 39.682 38.487 0.105 0.000 1.059 1013 N HN 0.533 nan 8.380 nan 0.000 0.467 1014 P HA -0.209 nan 4.420 nan 0.000 0.218 1014 P C 0.841 178.022 177.300 -0.199 0.000 1.150 1014 P CA 1.524 64.512 63.100 -0.187 0.000 0.841 1014 P CB -0.024 31.512 31.700 -0.273 0.000 0.784 1015 H N 0.331 119.388 119.070 -0.021 0.000 2.457 1015 H HA 0.015 4.572 4.556 0.001 0.000 0.297 1015 H C 1.638 176.946 175.328 -0.034 0.000 1.092 1015 H CA 1.347 57.381 56.048 -0.023 0.000 1.309 1015 H CB -0.688 29.067 29.762 -0.012 0.000 1.382 1015 H HN 0.165 nan 8.280 nan 0.000 0.535 1016 A N 0.874 123.730 122.820 0.060 0.000 2.223 1016 A HA 0.051 4.372 4.320 0.001 0.000 0.222 1016 A C 1.521 179.072 177.584 -0.054 0.000 1.317 1016 A CA 0.332 52.374 52.037 0.008 0.000 0.985 1016 A CB -0.588 18.412 19.000 0.000 0.000 0.858 1016 A HN 0.161 nan 8.150 nan 0.000 0.496 1017 I N -1.175 119.361 120.570 -0.056 0.000 3.632 1017 I HA 0.109 4.280 4.170 0.001 0.000 0.246 1017 I C -0.858 175.223 176.117 -0.061 0.000 1.125 1017 I CA -0.228 61.016 61.300 -0.093 0.000 1.519 1017 I CB -1.766 36.155 38.000 -0.130 0.000 1.555 1017 I HN 0.008 nan 8.210 nan 0.000 0.452 1018 P HA -0.231 nan 4.420 nan 0.000 0.226 1018 P C 1.648 178.937 177.300 -0.019 0.000 1.154 1018 P CA 2.900 65.984 63.100 -0.025 0.000 0.901 1018 P CB -0.007 31.693 31.700 -0.001 0.000 0.788 1019 S N -3.225 112.467 115.700 -0.013 0.000 2.492 1019 S HA 0.120 4.591 4.470 0.001 0.000 0.218 1019 S C 1.806 176.391 174.600 -0.026 0.000 1.016 1019 S CA -0.208 57.984 58.200 -0.014 0.000 0.916 1019 S CB -0.330 62.867 63.200 -0.005 0.000 0.791 1019 S HN -0.034 nan 8.310 nan 0.000 0.513 1020 R N 1.258 121.738 120.500 -0.033 0.000 2.092 1020 R HA 0.218 4.559 4.340 0.001 0.000 0.231 1020 R C 0.759 177.030 176.300 -0.049 0.000 1.119 1020 R CA 0.680 56.752 56.100 -0.046 0.000 0.970 1020 R CB -0.976 29.292 30.300 -0.053 0.000 0.864 1020 R HN 0.508 nan 8.270 nan 0.000 0.440 1021 M N 1.151 120.724 119.600 -0.045 0.000 2.253 1021 M HA -0.168 4.312 4.480 0.001 0.000 0.195 1021 M C -0.228 176.057 176.300 -0.025 0.000 0.512 1021 M CA 0.899 56.179 55.300 -0.035 0.000 0.442 1021 M CB -1.650 30.936 32.600 -0.023 0.000 1.189 1021 M HN 0.084 nan 8.290 nan 0.000 0.923 1022 T N -0.720 113.809 114.554 -0.042 0.000 2.929 1022 T HA 0.533 4.883 4.350 0.001 0.000 0.331 1022 T C 0.716 175.382 174.700 -0.056 0.000 1.120 1022 T CA -0.641 61.448 62.100 -0.020 0.000 0.973 1022 T CB 0.694 69.545 68.868 -0.029 0.000 1.036 1022 T HN 0.213 nan 8.240 nan 0.000 0.502 1023 V N 4.675 124.582 119.914 -0.012 0.000 2.878 1023 V HA 0.128 4.248 4.120 0.001 0.000 0.250 1023 V C 2.886 178.950 176.094 -0.051 0.000 1.075 1023 V CA 1.284 63.556 62.300 -0.047 0.000 1.096 1023 V CB -0.988 30.819 31.823 -0.028 0.000 0.724 1023 V HN 0.919 nan 8.190 nan 0.000 0.467 1024 A N 0.531 123.376 122.820 0.041 0.000 1.884 1024 A HA -0.371 3.949 4.320 0.001 0.000 0.219 1024 A C 2.250 179.809 177.584 -0.041 0.000 1.197 1024 A CA 2.528 54.665 52.037 0.166 0.000 0.637 1024 A CB -1.089 18.184 19.000 0.455 0.000 0.827 1024 A HN 0.686 nan 8.150 nan 0.000 0.450 1025 H N -0.055 118.512 119.070 -0.837 0.000 2.319 1025 H HA -0.133 4.423 4.556 0.001 0.000 0.297 1025 H C 1.999 177.193 175.328 -0.223 0.000 1.097 1025 H CA 2.092 57.580 56.048 -0.933 0.000 1.285 1025 H CB -0.495 28.726 29.762 -0.901 0.000 1.368 1025 H HN 0.426 nan 8.280 nan 0.000 0.495 1026 L N 0.126 121.390 121.223 0.069 0.000 2.042 1026 L HA -0.199 4.141 4.340 0.001 0.000 0.210 1026 L C 2.888 179.820 176.870 0.104 0.000 1.076 1026 L CA 1.287 56.150 54.840 0.038 0.000 0.749 1026 L CB -0.275 41.682 42.059 -0.169 0.000 0.893 1026 L HN 0.283 nan 8.230 nan 0.000 0.432 1027 I N -0.607 119.993 120.570 0.051 0.000 2.202 1027 I HA -0.311 3.860 4.170 0.001 0.000 0.242 1027 I C 2.497 178.760 176.117 0.243 0.000 1.091 1027 I CA 1.285 62.641 61.300 0.093 0.000 1.368 1027 I CB -0.444 37.475 38.000 -0.135 0.000 1.058 1027 I HN 0.367 nan 8.210 nan 0.000 0.410 1028 E N 0.643 121.005 120.200 0.270 0.000 2.169 1028 E HA -0.366 3.984 4.350 0.001 0.000 0.202 1028 E C 2.350 179.013 176.600 0.105 0.000 1.016 1028 E CA 2.126 58.633 56.400 0.177 0.000 0.817 1028 E CB -0.216 29.528 29.700 0.074 0.000 0.736 1028 E HN 0.595 nan 8.360 nan 0.000 0.462 1029 C N -0.088 119.278 119.300 0.110 0.000 2.413 1029 C HA -0.160 4.300 4.460 0.001 0.000 0.277 1029 C C 2.643 177.659 174.990 0.044 0.000 1.228 1029 C CA 1.071 60.127 59.018 0.063 0.000 1.731 1029 C CB -1.202 26.626 27.740 0.147 0.000 2.042 1029 C HN 0.593 nan 8.230 nan 0.000 0.468 1030 L N 0.565 121.886 121.223 0.162 0.000 1.994 1030 L HA -0.059 4.282 4.340 0.001 0.000 0.208 1030 L C 2.350 179.272 176.870 0.087 0.000 1.071 1030 L CA 1.968 56.880 54.840 0.120 0.000 0.745 1030 L CB -1.140 41.033 42.059 0.190 0.000 0.892 1030 L HN 0.431 nan 8.230 nan 0.000 0.431 1031 L N -1.358 119.947 121.223 0.137 0.000 2.043 1031 L HA -0.223 4.117 4.340 0.001 0.000 0.212 1031 L C 2.436 179.338 176.870 0.052 0.000 1.075 1031 L CA 2.085 57.004 54.840 0.132 0.000 0.752 1031 L CB -0.930 41.272 42.059 0.239 0.000 0.891 1031 L HN 0.268 nan 8.230 nan 0.000 0.432 1032 S N -0.758 114.957 115.700 0.026 0.000 2.371 1032 S HA -0.158 4.313 4.470 0.001 0.000 0.224 1032 S C 1.914 176.483 174.600 -0.053 0.000 1.029 1032 S CA 1.164 59.352 58.200 -0.021 0.000 0.978 1032 S CB -0.279 62.908 63.200 -0.023 0.000 0.833 1032 S HN 0.471 nan 8.310 nan 0.000 0.466 1033 K N 1.057 121.415 120.400 -0.069 0.000 2.281 1033 K HA -0.066 4.255 4.320 0.001 0.000 0.203 1033 K C 1.717 178.236 176.600 -0.135 0.000 1.046 1033 K CA 0.804 57.013 56.287 -0.131 0.000 0.938 1033 K CB -0.078 32.320 32.500 -0.170 0.000 0.737 1033 K HN 0.155 nan 8.250 nan 0.000 0.458 1034 V N 0.631 120.499 119.914 -0.077 0.000 2.284 1034 V HA -0.076 4.044 4.120 0.001 0.000 0.236 1034 V C 1.883 177.915 176.094 -0.103 0.000 1.044 1034 V CA 1.661 63.913 62.300 -0.081 0.000 1.019 1034 V CB -0.289 31.541 31.823 0.011 0.000 0.657 1034 V HN 0.429 nan 8.190 nan 0.000 0.465 1035 A N -0.418 122.375 122.820 -0.044 0.000 2.292 1035 A HA 0.078 4.398 4.320 0.001 0.000 0.209 1035 A C 1.970 179.517 177.584 -0.062 0.000 1.209 1035 A CA 1.548 53.562 52.037 -0.038 0.000 0.746 1035 A CB -0.630 18.358 19.000 -0.020 0.000 0.764 1035 A HN 0.624 nan 8.150 nan 0.000 0.492 1036 A N -0.985 121.779 122.820 -0.092 0.000 1.997 1036 A HA 0.338 4.659 4.320 0.001 0.000 0.212 1036 A C 1.909 179.432 177.584 -0.103 0.000 1.178 1036 A CA 0.721 52.703 52.037 -0.092 0.000 0.698 1036 A CB -0.141 18.796 19.000 -0.105 0.000 0.842 1036 A HN 0.439 nan 8.150 nan 0.000 0.458 1037 L N -0.072 121.051 121.223 -0.166 0.000 2.145 1037 L HA -0.044 4.296 4.340 0.001 0.000 0.201 1037 L C 2.864 179.670 176.870 -0.108 0.000 1.075 1037 L CA 1.396 56.115 54.840 -0.201 0.000 0.773 1037 L CB -0.281 41.474 42.059 -0.506 0.000 0.936 1037 L HN 0.504 nan 8.230 nan 0.000 0.451 1038 S N -0.274 115.367 115.700 -0.098 0.000 2.461 1038 S HA 0.024 4.494 4.470 0.001 0.000 0.228 1038 S C 1.654 176.270 174.600 0.027 0.000 1.005 1038 S CA 0.550 58.783 58.200 0.054 0.000 0.942 1038 S CB -0.129 63.136 63.200 0.108 0.000 0.776 1038 S HN 0.518 nan 8.310 nan 0.000 0.514 1039 G N 1.589 110.383 108.800 -0.010 0.000 2.179 1039 G HA2 -0.232 3.728 3.960 0.001 0.000 0.257 1039 G HA3 -0.232 3.728 3.960 0.001 0.000 0.257 1039 G C -0.152 174.744 174.900 -0.006 0.000 1.010 1039 G CA 0.172 45.264 45.100 -0.013 0.000 0.736 1039 G HN 0.546 nan 8.290 nan 0.000 0.513 1040 N N 1.017 119.718 118.700 0.001 0.000 2.817 1040 N HA 0.209 4.949 4.740 0.001 0.000 0.234 1040 N C 0.355 175.861 175.510 -0.007 0.000 1.066 1040 N CA -0.235 52.819 53.050 0.006 0.000 0.926 1040 N CB 0.704 39.208 38.487 0.028 0.000 1.176 1040 N HN 0.641 nan 8.380 nan 0.000 0.506 1041 E N 1.386 121.571 120.200 -0.025 0.000 3.506 1041 E HA -0.148 4.202 4.350 0.001 0.000 0.233 1041 E C 0.479 177.058 176.600 -0.035 0.000 0.936 1041 E CA -0.085 56.289 56.400 -0.043 0.000 0.931 1041 E CB -0.082 29.585 29.700 -0.055 0.000 0.864 1041 E HN 0.492 nan 8.360 nan 0.000 0.551 1042 G N 4.233 113.015 108.800 -0.030 0.000 2.562 1042 G HA2 -0.078 3.882 3.960 0.001 0.000 0.233 1042 G HA3 -0.078 3.882 3.960 0.001 0.000 0.233 1042 G C -0.394 174.486 174.900 -0.034 0.000 1.266 1042 G CA -0.165 44.930 45.100 -0.008 0.000 0.852 1042 G HN 0.672 nan 8.290 nan 0.000 0.581 1043 D N -0.044 120.359 120.400 0.005 0.000 2.344 1043 D HA 0.548 5.189 4.640 0.001 0.000 0.239 1043 D C 0.473 176.759 176.300 -0.022 0.000 1.064 1043 D CA -0.171 53.818 54.000 -0.019 0.000 0.829 1043 D CB 1.351 42.171 40.800 0.035 0.000 1.129 1043 D HN 0.371 nan 8.370 nan 0.000 0.506 1044 A N 2.727 125.395 122.820 -0.254 0.000 2.589 1044 A HA 0.290 4.610 4.320 0.001 0.000 0.283 1044 A C 0.612 177.929 177.584 -0.445 0.000 1.187 1044 A CA -0.395 51.169 52.037 -0.789 0.000 0.957 1044 A CB 0.049 18.140 19.000 -1.516 0.000 1.175 1044 A HN 0.440 nan 8.150 nan 0.000 0.532 1045 S N 2.309 117.946 115.700 -0.104 0.000 2.550 1045 S HA 0.169 4.639 4.470 0.001 0.000 0.285 1045 S C -1.472 173.204 174.600 0.127 0.000 1.326 1045 S CA -0.423 57.784 58.200 0.012 0.000 1.037 1045 S CB 0.336 63.598 63.200 0.103 0.000 0.838 1045 S HN 0.348 nan 8.310 nan 0.000 0.519 1046 P HA -0.175 nan 4.420 nan 0.000 0.227 1046 P C -0.225 177.059 177.300 -0.028 0.000 1.188 1046 P CA 0.968 63.969 63.100 -0.164 0.000 0.970 1046 P CB -0.055 31.446 31.700 -0.332 0.000 0.581 1047 F N -0.987 119.089 119.950 0.211 0.000 2.502 1047 F HA 0.412 4.939 4.527 0.001 0.000 0.371 1047 F C 1.220 177.148 175.800 0.212 0.000 1.083 1047 F CA -0.198 57.898 58.000 0.160 0.000 1.174 1047 F CB -1.282 37.759 39.000 0.068 0.000 1.096 1047 F HN 0.127 nan 8.300 nan 0.000 0.545 1048 T N -1.901 112.879 114.554 0.376 0.000 2.618 1048 T HA 0.337 4.687 4.350 0.001 0.000 0.286 1048 T C -0.182 174.661 174.700 0.239 0.000 1.027 1048 T CA -0.865 61.432 62.100 0.328 0.000 1.063 1048 T CB 1.549 70.625 68.868 0.346 0.000 1.440 1048 T HN 0.406 nan 8.240 nan 0.000 0.505 1049 D N 0.413 120.937 120.400 0.208 0.000 2.491 1049 D HA 0.353 4.994 4.640 0.001 0.000 0.228 1049 D C 0.088 176.472 176.300 0.141 0.000 1.183 1049 D CA 0.028 54.120 54.000 0.153 0.000 0.827 1049 D CB 0.140 41.019 40.800 0.131 0.000 0.989 1049 D HN 0.431 nan 8.370 nan 0.000 0.494 1050 I N 0.467 121.135 120.570 0.162 0.000 2.664 1050 I HA 0.207 4.377 4.170 0.001 0.000 0.308 1050 I C 0.618 176.776 176.117 0.069 0.000 0.984 1050 I CA -0.140 61.238 61.300 0.129 0.000 1.213 1050 I CB 1.746 39.854 38.000 0.180 0.000 1.379 1050 I HN -0.198 nan 8.210 nan 0.000 0.501 1051 T N 1.908 116.481 114.554 0.033 0.000 2.865 1051 T HA 0.315 4.665 4.350 0.001 0.000 0.294 1051 T C 0.647 175.323 174.700 -0.041 0.000 1.119 1051 T CA -0.651 61.446 62.100 -0.004 0.000 1.007 1051 T CB 2.042 70.924 68.868 0.024 0.000 1.225 1051 T HN 0.216 nan 8.240 nan 0.000 0.515 1052 V N 0.660 120.541 119.914 -0.055 0.000 2.379 1052 V HA -0.053 4.068 4.120 0.001 0.000 0.243 1052 V C 2.587 178.685 176.094 0.006 0.000 1.035 1052 V CA 1.304 63.575 62.300 -0.048 0.000 1.035 1052 V CB -0.541 31.247 31.823 -0.058 0.000 0.673 1052 V HN 0.808 nan 8.190 nan 0.000 0.457 1053 E N 0.984 121.192 120.200 0.012 0.000 2.085 1053 E HA -0.191 4.159 4.350 0.001 0.000 0.194 1053 E C 2.316 178.937 176.600 0.035 0.000 0.994 1053 E CA 1.579 57.995 56.400 0.026 0.000 0.801 1053 E CB -0.608 29.106 29.700 0.024 0.000 0.743 1053 E HN 0.611 nan 8.360 nan 0.000 0.453 1054 G N 0.626 109.448 108.800 0.036 0.000 2.470 1054 G HA2 -0.185 3.776 3.960 0.001 0.000 0.220 1054 G HA3 -0.185 3.776 3.960 0.001 0.000 0.220 1054 G C 1.609 176.544 174.900 0.058 0.000 1.121 1054 G CA 0.357 45.486 45.100 0.048 0.000 0.766 1054 G HN 0.184 nan 8.290 nan 0.000 0.553 1055 I N -0.237 120.368 120.570 0.057 0.000 3.039 1055 I HA -0.020 4.151 4.170 0.001 0.000 0.270 1055 I C 2.670 178.837 176.117 0.084 0.000 1.150 1055 I CA 0.267 61.612 61.300 0.075 0.000 1.448 1055 I CB 0.036 38.081 38.000 0.076 0.000 1.197 1055 I HN 0.031 nan 8.210 nan 0.000 0.450 1056 S N 1.110 116.855 115.700 0.076 0.000 2.423 1056 S HA -0.229 4.241 4.470 0.001 0.000 0.238 1056 S C 1.878 176.527 174.600 0.081 0.000 1.028 1056 S CA 1.477 59.728 58.200 0.085 0.000 1.000 1056 S CB -0.223 63.020 63.200 0.072 0.000 0.797 1056 S HN 0.350 nan 8.310 nan 0.000 0.487 1057 K N 0.688 121.129 120.400 0.069 0.000 2.057 1057 K HA 0.053 4.374 4.320 0.001 0.000 0.206 1057 K C 1.985 178.631 176.600 0.077 0.000 1.050 1057 K CA 0.962 57.285 56.287 0.061 0.000 0.935 1057 K CB -0.271 32.258 32.500 0.049 0.000 0.715 1057 K HN 0.313 nan 8.250 nan 0.000 0.439 1058 L N 0.558 121.839 121.223 0.097 0.000 2.093 1058 L HA -0.160 4.180 4.340 0.001 0.000 0.208 1058 L C 2.361 179.364 176.870 0.222 0.000 1.085 1058 L CA 0.531 55.454 54.840 0.138 0.000 0.755 1058 L CB -0.301 41.841 42.059 0.138 0.000 0.904 1058 L HN 0.161 nan 8.230 nan 0.000 0.435 1059 L N -0.116 121.216 121.223 0.183 0.000 2.156 1059 L HA -0.116 4.224 4.340 0.001 0.000 0.208 1059 L C 2.635 179.634 176.870 0.216 0.000 1.095 1059 L CA 1.296 56.265 54.840 0.214 0.000 0.770 1059 L CB -0.408 41.743 42.059 0.153 0.000 0.914 1059 L HN 0.062 nan 8.230 nan 0.000 0.439 1060 R N 0.391 120.975 120.500 0.140 0.000 2.092 1060 R HA -0.109 4.232 4.340 0.001 0.000 0.231 1060 R C 2.005 178.341 176.300 0.059 0.000 1.119 1060 R CA 1.494 57.650 56.100 0.093 0.000 0.970 1060 R CB -0.508 29.827 30.300 0.059 0.000 0.864 1060 R HN 0.465 nan 8.270 nan 0.000 0.440 1061 E N -0.855 119.371 120.200 0.043 0.000 2.396 1061 E HA -0.181 4.169 4.350 0.001 0.000 0.200 1061 E C 0.914 177.419 176.600 -0.159 0.000 1.023 1061 E CA 0.737 57.100 56.400 -0.060 0.000 0.857 1061 E CB -0.042 29.603 29.700 -0.091 0.000 0.775 1061 E HN 0.527 nan 8.360 nan 0.000 0.525 1062 H N -1.924 117.159 119.070 0.022 0.000 2.622 1062 H HA 0.142 4.698 4.556 0.001 0.000 0.269 1062 H C 1.470 176.730 175.328 -0.113 0.000 0.977 1062 H CA 0.873 56.926 56.048 0.008 0.000 1.179 1062 H CB 1.553 31.379 29.762 0.106 0.000 1.458 1062 H HN 0.345 nan 8.280 nan 0.000 0.531 1063 G N 0.449 109.232 108.800 -0.027 0.000 2.284 1063 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 1063 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 1063 G C -0.257 174.519 174.900 -0.207 0.000 1.009 1063 G CA -0.288 44.703 45.100 -0.182 0.000 0.625 1063 G HN 0.316 nan 8.290 nan 0.000 0.501 1064 Y N 1.598 121.928 120.300 0.050 0.000 2.310 1064 Y HA 0.555 5.105 4.550 0.001 0.000 0.326 1064 Y C 0.899 176.826 175.900 0.045 0.000 1.151 1064 Y CA -0.328 57.790 58.100 0.030 0.000 1.195 1064 Y CB 0.926 39.388 38.460 0.003 0.000 1.210 1064 Y HN 0.374 nan 8.280 nan 0.000 0.483 1065 Q N 1.463 121.384 119.800 0.201 0.000 2.431 1065 Q HA -0.132 4.209 4.340 0.001 0.000 0.349 1065 Q C 1.034 177.126 176.000 0.153 0.000 1.119 1065 Q CA 0.822 56.709 55.803 0.139 0.000 1.065 1065 Q CB 0.744 29.564 28.738 0.138 0.000 1.149 1065 Q HN 0.802 nan 8.270 nan 0.000 0.403 1066 S N 3.377 119.142 115.700 0.108 0.000 2.507 1066 S HA -0.077 4.393 4.470 0.001 0.000 0.235 1066 S C 0.946 175.633 174.600 0.146 0.000 0.988 1066 S CA 0.732 58.999 58.200 0.113 0.000 0.944 1066 S CB 0.037 63.280 63.200 0.072 0.000 0.762 1066 S HN 0.692 nan 8.310 nan 0.000 0.526 1067 R N 0.271 120.886 120.500 0.193 0.000 2.308 1067 R HA 0.397 4.737 4.340 0.001 0.000 0.202 1067 R C 1.855 178.482 176.300 0.544 0.000 0.898 1067 R CA 0.661 56.958 56.100 0.328 0.000 1.046 1067 R CB -0.490 29.967 30.300 0.261 0.000 1.026 1067 R HN 0.582 nan 8.270 nan 0.000 0.512 1068 G N 0.414 109.462 108.800 0.412 0.000 2.561 1068 G HA2 -0.255 3.705 3.960 0.001 0.000 0.203 1068 G HA3 -0.255 3.705 3.960 0.001 0.000 0.203 1068 G C 0.166 175.213 174.900 0.245 0.000 1.101 1068 G CA -0.338 44.895 45.100 0.223 0.000 0.711 1068 G HN 0.097 nan 8.290 nan 0.000 0.511 1069 F N 2.267 122.308 119.950 0.153 0.000 2.670 1069 F HA 0.418 4.945 4.527 0.001 0.000 0.325 1069 F C 1.236 177.081 175.800 0.075 0.000 1.125 1069 F CA 1.004 59.082 58.000 0.129 0.000 1.345 1069 F CB 0.131 39.206 39.000 0.125 0.000 1.019 1069 F HN 0.417 nan 8.300 nan 0.000 0.640 1070 E N -1.153 119.209 120.200 0.271 0.000 2.423 1070 E HA 0.464 4.815 4.350 0.001 0.000 0.280 1070 E C -1.677 175.002 176.600 0.132 0.000 1.030 1070 E CA -0.973 55.526 56.400 0.166 0.000 0.812 1070 E CB 2.233 31.979 29.700 0.078 0.000 1.313 1070 E HN 0.197 nan 8.360 nan 0.000 0.456 1071 V N 1.297 121.262 119.914 0.086 0.000 2.686 1071 V HA 0.488 4.608 4.120 0.001 0.000 0.295 1071 V C 0.149 176.230 176.094 -0.021 0.000 1.057 1071 V CA -0.055 62.240 62.300 -0.008 0.000 1.012 1071 V CB 0.754 32.553 31.823 -0.041 0.000 1.006 1071 V HN 0.591 nan 8.190 nan 0.000 0.477 1072 M N 2.679 122.175 119.600 -0.174 0.000 2.520 1072 M HA 0.523 5.003 4.480 0.001 0.000 0.283 1072 M C -2.024 174.035 176.300 -0.401 0.000 1.237 1072 M CA -0.498 54.727 55.300 -0.125 0.000 0.885 1072 M CB 3.031 35.604 32.600 -0.045 0.000 1.727 1072 M HN 0.585 nan 8.290 nan 0.000 0.468 1073 Y N 0.715 120.794 120.300 -0.369 0.000 2.352 1073 Y HA 0.309 4.860 4.550 0.001 0.000 0.339 1073 Y C 0.384 175.877 175.900 -0.679 0.000 0.992 1073 Y CA -1.230 56.576 58.100 -0.491 0.000 1.100 1073 Y CB 0.774 38.982 38.460 -0.420 0.000 1.192 1073 Y HN 0.539 nan 8.280 nan 0.000 0.458 1074 N N 2.232 120.805 118.700 -0.211 0.000 2.418 1074 N HA -0.074 4.666 4.740 0.001 0.000 0.277 1074 N C 1.242 176.642 175.510 -0.183 0.000 1.317 1074 N CA 0.883 53.847 53.050 -0.143 0.000 0.922 1074 N CB 1.019 39.477 38.487 -0.048 0.000 1.194 1074 N HN 1.065 nan 8.380 nan 0.000 0.485 1075 G N 3.621 112.288 108.800 -0.220 0.000 2.550 1075 G HA2 -0.308 3.653 3.960 0.001 0.000 0.222 1075 G HA3 -0.308 3.653 3.960 0.001 0.000 0.222 1075 G C 1.121 176.071 174.900 0.084 0.000 1.113 1075 G CA 0.949 46.007 45.100 -0.070 0.000 0.748 1075 G HN 0.738 nan 8.290 nan 0.000 0.585 1076 H N 0.570 119.650 119.070 0.015 0.000 2.326 1076 H HA -0.038 4.518 4.556 0.001 0.000 0.301 1076 H C 2.935 178.283 175.328 0.033 0.000 1.081 1076 H CA 1.951 58.003 56.048 0.007 0.000 1.334 1076 H CB -0.894 28.841 29.762 -0.044 0.000 1.385 1076 H HN 0.517 nan 8.280 nan 0.000 0.504 1077 T N -3.393 111.251 114.554 0.151 0.000 2.925 1077 T HA 0.302 4.653 4.350 0.001 0.000 0.245 1077 T C 1.795 176.570 174.700 0.124 0.000 1.025 1077 T CA 0.891 63.059 62.100 0.114 0.000 1.149 1077 T CB -0.117 68.802 68.868 0.086 0.000 0.866 1077 T HN 0.515 nan 8.240 nan 0.000 0.437 1078 G N 1.500 110.372 108.800 0.120 0.000 2.154 1078 G HA2 -0.174 3.786 3.960 0.001 0.000 0.186 1078 G HA3 -0.174 3.786 3.960 0.001 0.000 0.186 1078 G C -0.056 174.982 174.900 0.230 0.000 1.000 1078 G CA 0.072 45.285 45.100 0.189 0.000 0.664 1078 G HN 0.801 nan 8.290 nan 0.000 0.513 1079 K N 0.926 121.422 120.400 0.159 0.000 2.107 1079 K HA 0.538 4.858 4.320 0.001 0.000 0.251 1079 K C 0.744 177.433 176.600 0.148 0.000 1.012 1079 K CA -0.549 55.840 56.287 0.169 0.000 0.920 1079 K CB 0.450 33.001 32.500 0.084 0.000 1.033 1079 K HN 0.159 nan 8.250 nan 0.000 0.478 1080 K N 1.704 122.139 120.400 0.059 0.000 2.180 1080 K HA 0.159 4.480 4.320 0.001 0.000 0.251 1080 K C -0.369 176.125 176.600 -0.176 0.000 1.014 1080 K CA -0.268 55.857 56.287 -0.271 0.000 0.913 1080 K CB 0.450 32.773 32.500 -0.294 0.000 1.008 1080 K HN 0.430 nan 8.250 nan 0.000 0.490 1081 L N 3.622 124.704 121.223 -0.236 0.000 2.259 1081 L HA 0.103 4.444 4.340 0.001 0.000 0.288 1081 L C 1.365 178.180 176.870 -0.092 0.000 1.051 1081 L CA -0.504 54.261 54.840 -0.126 0.000 0.824 1081 L CB 0.910 42.892 42.059 -0.127 0.000 1.206 1081 L HN 0.760 nan 8.230 nan 0.000 0.429 1082 M N 3.295 122.864 119.600 -0.052 0.000 2.186 1082 M HA -0.267 4.213 4.480 0.001 0.000 0.249 1082 M C 0.888 177.177 176.300 -0.019 0.000 1.081 1082 M CA 2.169 57.452 55.300 -0.029 0.000 1.072 1082 M CB -0.146 32.449 32.600 -0.009 0.000 1.318 1082 M HN 0.647 nan 8.290 nan 0.000 0.405 1083 A N -1.160 121.656 122.820 -0.007 0.000 2.261 1083 A HA 0.650 4.970 4.320 0.001 0.000 0.323 1083 A C -0.423 177.182 177.584 0.035 0.000 1.107 1083 A CA -0.754 51.299 52.037 0.026 0.000 0.883 1083 A CB 0.586 19.611 19.000 0.042 0.000 1.251 1083 A HN 0.460 nan 8.150 nan 0.000 0.502 1084 Q N -0.892 118.978 119.800 0.116 0.000 2.241 1084 Q HA 0.707 5.048 4.340 0.001 0.000 0.262 1084 Q C -1.386 174.705 176.000 0.151 0.000 1.014 1084 Q CA -0.184 55.719 55.803 0.166 0.000 0.885 1084 Q CB 1.559 30.473 28.738 0.292 0.000 1.311 1084 Q HN 0.530 nan 8.270 nan 0.000 0.461 1085 I N 0.702 121.325 120.570 0.088 0.000 2.474 1085 I HA 0.276 4.446 4.170 0.001 0.000 0.294 1085 I C -0.875 175.195 176.117 -0.079 0.000 1.005 1085 I CA -0.669 60.613 61.300 -0.030 0.000 1.113 1085 I CB 1.119 39.087 38.000 -0.054 0.000 1.289 1085 I HN 0.501 nan 8.210 nan 0.000 0.436 1086 F N 6.835 126.532 119.950 -0.420 0.000 2.512 1086 F HA 0.296 4.823 4.527 0.001 0.000 0.350 1086 F C -0.648 175.089 175.800 -0.105 0.000 1.212 1086 F CA -0.072 57.678 58.000 -0.417 0.000 1.099 1086 F CB -0.280 38.420 39.000 -0.499 0.000 1.238 1086 F HN 0.265 nan 8.300 nan 0.000 0.600 1087 F N 4.289 123.946 119.950 -0.489 0.000 2.458 1087 F HA 0.747 5.275 4.527 0.001 0.000 0.330 1087 F C 0.327 175.823 175.800 -0.506 0.000 1.082 1087 F CA -0.095 57.670 58.000 -0.391 0.000 0.995 1087 F CB 1.520 40.383 39.000 -0.229 0.000 1.170 1087 F HN 0.621 nan 8.300 nan 0.000 0.478 1088 G N 4.280 113.249 108.800 0.282 0.000 2.337 1088 G HA2 0.119 4.079 3.960 0.001 0.000 0.310 1088 G HA3 0.119 4.079 3.960 0.001 0.000 0.310 1088 G C -3.390 171.507 174.900 -0.006 0.000 1.534 1088 G CA -1.207 43.886 45.100 -0.013 0.000 0.982 1088 G HN 0.411 nan 8.290 nan 0.000 0.672 1089 P HA 0.440 nan 4.420 nan 0.000 0.269 1089 P C -0.315 176.999 177.300 0.023 0.000 1.217 1089 P CA 0.458 63.570 63.100 0.021 0.000 0.783 1089 P CB 1.088 32.788 31.700 -0.000 0.000 0.898 1090 T N 0.576 115.177 114.554 0.079 0.000 3.047 1090 T HA 0.159 4.510 4.350 0.001 0.000 0.340 1090 T C -1.323 173.486 174.700 0.182 0.000 1.421 1090 T CA -0.268 61.868 62.100 0.060 0.000 1.090 1090 T CB 0.454 69.318 68.868 -0.006 0.000 1.292 1090 T HN 0.221 nan 8.240 nan 0.000 0.480 1091 Y N 2.312 122.587 120.300 -0.042 0.000 2.346 1091 Y HA 0.553 5.103 4.550 0.001 0.000 0.330 1091 Y C -1.065 174.812 175.900 -0.039 0.000 1.178 1091 Y CA -0.805 57.302 58.100 0.012 0.000 1.331 1091 Y CB 0.376 38.839 38.460 0.005 0.000 1.253 1091 Y HN 0.642 nan 8.280 nan 0.000 0.529 1092 Y N 3.696 123.932 120.300 -0.108 0.000 2.386 1092 Y HA 0.314 4.865 4.550 0.001 0.000 0.334 1092 Y C -0.542 175.287 175.900 -0.117 0.000 1.002 1092 Y CA -0.931 57.144 58.100 -0.042 0.000 1.068 1092 Y CB 1.652 40.179 38.460 0.112 0.000 1.203 1092 Y HN 0.507 nan 8.280 nan 0.000 0.443 1093 Q N 3.189 123.009 119.800 0.035 0.000 2.235 1093 Q HA 0.402 4.743 4.340 0.001 0.000 0.250 1093 Q C -0.498 175.602 176.000 0.168 0.000 0.909 1093 Q CA -0.903 54.923 55.803 0.039 0.000 0.910 1093 Q CB 1.718 30.453 28.738 -0.005 0.000 1.223 1093 Q HN 0.478 nan 8.270 nan 0.000 0.432 1094 R N 3.131 123.736 120.500 0.175 0.000 2.233 1094 R HA 0.241 4.582 4.340 0.001 0.000 0.334 1094 R C -1.247 175.069 176.300 0.027 0.000 1.037 1094 R CA -0.555 55.672 56.100 0.212 0.000 0.920 1094 R CB -0.033 30.410 30.300 0.239 0.000 1.137 1094 R HN 0.414 nan 8.270 nan 0.000 0.492 1095 L N 3.226 124.413 121.223 -0.060 0.000 2.395 1095 L HA 0.472 4.812 4.340 0.001 0.000 0.269 1095 L C 0.904 177.638 176.870 -0.227 0.000 1.133 1095 L CA -0.666 54.097 54.840 -0.129 0.000 0.812 1095 L CB 0.333 42.333 42.059 -0.098 0.000 1.125 1095 L HN 0.574 nan 8.230 nan 0.000 0.452 1096 R N 0.173 120.505 120.500 -0.279 0.000 3.064 1096 R HA 0.175 4.516 4.340 0.001 0.000 0.280 1096 R C -0.610 175.525 176.300 -0.274 0.000 1.182 1096 R CA -0.451 55.438 56.100 -0.352 0.000 1.155 1096 R CB -0.159 29.849 30.300 -0.488 0.000 1.112 1096 R HN 0.741 nan 8.270 nan 0.000 0.564 1097 H N -1.162 117.738 119.070 -0.283 0.000 3.228 1097 H HA -0.076 4.481 4.556 0.001 0.000 0.364 1097 H C -0.907 174.273 175.328 -0.247 0.000 1.331 1097 H CA 0.452 56.355 56.048 -0.242 0.000 1.286 1097 H CB -1.513 28.118 29.762 -0.219 0.000 1.515 1097 H HN 0.542 nan 8.280 nan 0.000 0.456 1098 M N -0.390 119.132 119.600 -0.130 0.000 2.369 1098 M HA 0.299 4.779 4.480 0.001 0.000 0.291 1098 M C 1.880 178.107 176.300 -0.121 0.000 1.178 1098 M CA -0.489 54.709 55.300 -0.170 0.000 0.996 1098 M CB 0.917 33.406 32.600 -0.185 0.000 1.472 1098 M HN 0.091 nan 8.290 nan 0.000 0.496 1099 V N 0.626 120.468 119.914 -0.120 0.000 2.221 1099 V HA -0.229 3.892 4.120 0.001 0.000 0.242 1099 V C 1.009 177.067 176.094 -0.060 0.000 1.041 1099 V CA 2.052 64.299 62.300 -0.088 0.000 0.995 1099 V CB -0.294 31.480 31.823 -0.082 0.000 0.635 1099 V HN 0.843 nan 8.190 nan 0.000 0.448 1100 D N 0.456 120.825 120.400 -0.050 0.000 2.422 1100 D HA -0.103 4.538 4.640 0.001 0.000 0.245 1100 D C 0.836 177.125 176.300 -0.018 0.000 1.102 1100 D CA 0.728 54.711 54.000 -0.027 0.000 0.981 1100 D CB -0.265 40.522 40.800 -0.021 0.000 0.877 1100 D HN 0.529 nan 8.370 nan 0.000 0.522 1101 D N -1.136 119.246 120.400 -0.030 0.000 2.433 1101 D HA 0.104 4.745 4.640 0.001 0.000 0.211 1101 D C 1.394 177.678 176.300 -0.026 0.000 1.114 1101 D CA 0.101 54.088 54.000 -0.021 0.000 0.837 1101 D CB 0.670 41.448 40.800 -0.037 0.000 0.984 1101 D HN 0.191 nan 8.370 nan 0.000 0.505 1102 K N -0.384 119.999 120.400 -0.028 0.000 2.493 1102 K HA 0.165 4.486 4.320 0.001 0.000 0.201 1102 K C 0.312 176.924 176.600 0.019 0.000 1.355 1102 K CA -0.496 55.776 56.287 -0.024 0.000 0.953 1102 K CB 1.249 33.716 32.500 -0.055 0.000 1.316 1102 K HN -0.142 nan 8.250 nan 0.000 0.522 1103 I N 3.127 123.703 120.570 0.011 0.000 3.076 1103 I HA -0.192 3.979 4.170 0.001 0.000 0.321 1103 I C -0.243 175.938 176.117 0.108 0.000 1.216 1103 I CA 1.273 62.592 61.300 0.031 0.000 1.460 1103 I CB -0.380 37.625 38.000 0.009 0.000 1.313 1103 I HN 0.221 nan 8.210 nan 0.000 0.546 1104 H N 5.675 124.727 119.070 -0.030 0.000 3.099 1104 H HA 0.779 5.336 4.556 0.001 0.000 0.342 1104 H C -1.538 173.778 175.328 -0.020 0.000 1.054 1104 H CA -0.496 55.537 56.048 -0.024 0.000 1.328 1104 H CB 1.109 30.856 29.762 -0.025 0.000 1.876 1104 H HN 0.657 nan 8.280 nan 0.000 0.495 1105 A N 4.638 127.350 122.820 -0.180 0.000 2.498 1105 A HA 0.880 5.201 4.320 0.001 0.000 0.298 1105 A C -1.118 176.343 177.584 -0.206 0.000 1.075 1105 A CA -0.719 51.150 52.037 -0.281 0.000 0.714 1105 A CB 1.772 20.708 19.000 -0.106 0.000 1.299 1105 A HN 0.888 nan 8.150 nan 0.000 0.407 1106 R N 0.298 120.687 120.500 -0.185 0.000 2.579 1106 R HA 0.641 4.981 4.340 0.001 0.000 0.260 1106 R C -1.832 174.435 176.300 -0.056 0.000 1.103 1106 R CA 0.038 56.094 56.100 -0.072 0.000 0.942 1106 R CB 1.619 31.903 30.300 -0.027 0.000 1.251 1106 R HN 1.573 nan 8.270 nan 0.000 0.450 1107 A N 5.370 128.172 122.820 -0.030 0.000 2.605 1107 A HA 0.521 4.841 4.320 0.001 0.000 0.293 1107 A C -0.644 176.930 177.584 -0.017 0.000 1.216 1107 A CA -0.352 51.670 52.037 -0.025 0.000 0.742 1107 A CB 0.572 19.557 19.000 -0.024 0.000 1.170 1107 A HN 1.072 nan 8.150 nan 0.000 0.443 1108 R N 0.555 121.046 120.500 -0.016 0.000 1.138 1108 R HA 0.026 4.366 4.340 0.001 0.000 0.413 1108 R C 0.016 176.311 176.300 -0.009 0.000 1.362 1108 R CA 1.207 57.298 56.100 -0.014 0.000 1.394 1108 R CB -1.199 29.091 30.300 -0.015 0.000 3.813 1108 R HN 2.291 nan 8.270 nan 0.000 0.482 1109 G N 1.756 110.551 108.800 -0.009 0.000 2.539 1109 G HA2 0.401 4.361 3.960 0.001 0.000 0.138 1109 G HA3 0.401 4.361 3.960 0.001 0.000 0.138 1109 G C -2.877 172.017 174.900 -0.010 0.000 1.148 1109 G CA -0.373 44.724 45.100 -0.006 0.000 1.057 1109 G HN 0.717 nan 8.290 nan 0.000 0.511 1110 P HA 0.288 nan 4.420 nan 0.000 0.262 1110 P C -0.821 176.465 177.300 -0.023 0.000 1.182 1110 P CA 0.494 63.587 63.100 -0.012 0.000 0.761 1110 P CB 0.633 32.329 31.700 -0.006 0.000 0.795 1111 M N 1.954 121.532 119.600 -0.038 0.000 2.383 1111 M HA 0.297 4.777 4.480 0.001 0.000 0.325 1111 M C 0.560 176.816 176.300 -0.073 0.000 1.092 1111 M CA -0.976 54.287 55.300 -0.060 0.000 0.961 1111 M CB 1.636 34.189 32.600 -0.079 0.000 1.672 1111 M HN 0.455 nan 8.290 nan 0.000 0.438 1112 Q N 0.809 120.560 119.800 -0.081 0.000 2.726 1112 Q HA 0.084 4.424 4.340 0.001 0.000 0.242 1112 Q C 0.403 176.334 176.000 -0.115 0.000 1.130 1112 Q CA 0.341 56.094 55.803 -0.083 0.000 1.031 1112 Q CB 0.858 29.546 28.738 -0.084 0.000 1.326 1112 Q HN 0.601 nan 8.270 nan 0.000 0.572 1113 V N 1.297 121.150 119.914 -0.101 0.000 3.048 1113 V HA -0.067 4.054 4.120 0.001 0.000 0.241 1113 V C 1.486 177.495 176.094 -0.142 0.000 1.129 1113 V CA 0.614 62.845 62.300 -0.115 0.000 1.128 1113 V CB -0.302 31.480 31.823 -0.068 0.000 0.849 1113 V HN 0.744 nan 8.190 nan 0.000 0.475 1114 L N 0.570 121.730 121.223 -0.104 0.000 2.023 1114 L HA -0.063 4.277 4.340 0.001 0.000 0.205 1114 L C 2.272 179.056 176.870 -0.143 0.000 1.073 1114 L CA 2.578 57.369 54.840 -0.082 0.000 0.745 1114 L CB -0.967 41.070 42.059 -0.037 0.000 0.900 1114 L HN 0.305 nan 8.230 nan 0.000 0.435 1115 T N -0.734 113.725 114.554 -0.159 0.000 2.937 1115 T HA 0.048 4.398 4.350 0.001 0.000 0.260 1115 T C 0.655 175.117 174.700 -0.396 0.000 1.051 1115 T CA 0.514 62.502 62.100 -0.188 0.000 1.141 1115 T CB -0.010 68.799 68.868 -0.097 0.000 0.879 1115 T HN 0.346 nan 8.240 nan 0.000 0.459 1116 R N 0.755 121.032 120.500 -0.372 0.000 3.654 1116 R HA -0.108 4.232 4.340 0.001 0.000 0.302 1116 R C -0.433 175.730 176.300 -0.227 0.000 1.166 1116 R CA 0.311 56.175 56.100 -0.395 0.000 0.810 1116 R CB -1.968 27.886 30.300 -0.742 0.000 1.323 1116 R HN 0.504 nan 8.270 nan 0.000 0.478 1117 Q N -0.096 119.614 119.800 -0.149 0.000 2.297 1117 Q HA 0.460 4.801 4.340 0.001 0.000 0.269 1117 Q C -2.430 173.531 176.000 -0.065 0.000 1.051 1117 Q CA -2.216 53.536 55.803 -0.085 0.000 0.869 1117 Q CB 1.662 30.366 28.738 -0.058 0.000 1.346 1117 Q HN -0.147 nan 8.270 nan 0.000 0.457 1118 P HA -0.098 nan 4.420 nan 0.000 0.266 1118 P C -0.655 176.634 177.300 -0.018 0.000 1.193 1118 P CA 0.023 63.108 63.100 -0.024 0.000 0.770 1118 P CB 0.378 32.074 31.700 -0.007 0.000 0.836 1119 V N 0.319 120.226 119.914 -0.013 0.000 3.385 1119 V HA 0.300 4.420 4.120 0.001 0.000 0.301 1119 V C 0.178 176.274 176.094 0.002 0.000 1.082 1119 V CA -0.353 61.940 62.300 -0.012 0.000 1.085 1119 V CB 0.697 32.512 31.823 -0.013 0.000 1.152 1119 V HN 0.577 nan 8.190 nan 0.000 0.465 1120 E N 1.027 121.225 120.200 -0.004 0.000 2.248 1120 E HA 0.588 4.939 4.350 0.001 0.000 0.272 1120 E C 0.029 176.619 176.600 -0.016 0.000 1.008 1120 E CA -0.009 56.390 56.400 -0.002 0.000 0.856 1120 E CB 1.363 31.058 29.700 -0.008 0.000 1.120 1120 E HN 2.036 nan 8.360 nan 0.000 0.397 1121 G N 2.449 111.236 108.800 -0.022 0.000 2.777 1121 G HA2 -0.256 3.705 3.960 0.001 0.000 0.686 1121 G HA3 -0.256 3.705 3.960 0.001 0.000 0.686 1121 G C 0.231 175.028 174.900 -0.172 0.000 1.177 1121 G CA 0.081 45.138 45.100 -0.073 0.000 0.775 1121 G HN 0.812 nan 8.290 nan 0.000 0.613 1122 R N 0.294 120.601 120.500 -0.321 0.000 2.189 1122 R HA 0.032 4.372 4.340 0.001 0.000 0.218 1122 R C 2.602 178.693 176.300 -0.349 0.000 1.074 1122 R CA 2.222 57.899 56.100 -0.704 0.000 0.991 1122 R CB -0.300 29.554 30.300 -0.744 0.000 0.883 1122 R HN 0.998 nan 8.270 nan 0.000 0.457 1123 S N 0.697 116.286 115.700 -0.185 0.000 2.382 1123 S HA -0.099 4.371 4.470 0.001 0.000 0.228 1123 S C 1.824 176.382 174.600 -0.069 0.000 1.027 1123 S CA 0.864 59.006 58.200 -0.097 0.000 0.991 1123 S CB -0.172 62.995 63.200 -0.056 0.000 0.823 1123 S HN 0.434 nan 8.310 nan 0.000 0.469 1124 R N 0.611 121.071 120.500 -0.067 0.000 2.359 1124 R HA 0.183 4.524 4.340 0.001 0.000 0.231 1124 R C 0.082 176.368 176.300 -0.025 0.000 0.913 1124 R CA 0.511 56.591 56.100 -0.035 0.000 1.075 1124 R CB 0.037 30.323 30.300 -0.024 0.000 1.087 1124 R HN 0.364 nan 8.270 nan 0.000 0.515 1125 D N -1.323 119.054 120.400 -0.037 0.000 2.981 1125 D HA -0.116 4.525 4.640 0.001 0.000 0.203 1125 D C 0.417 176.768 176.300 0.085 0.000 1.049 1125 D CA 1.066 55.080 54.000 0.023 0.000 1.003 1125 D CB -1.039 39.771 40.800 0.017 0.000 1.085 1125 D HN 0.394 nan 8.370 nan 0.000 0.432 1126 G N -0.063 108.764 108.800 0.046 0.000 2.846 1126 G HA2 0.392 4.353 3.960 0.001 0.000 0.257 1126 G HA3 0.392 4.353 3.960 0.001 0.000 0.257 1126 G C 0.680 175.687 174.900 0.178 0.000 1.253 1126 G CA 0.430 45.579 45.100 0.081 0.000 0.918 1126 G HN 0.388 nan 8.290 nan 0.000 0.597 1127 G N -1.752 107.113 108.800 0.109 0.000 2.552 1127 G HA2 0.567 4.527 3.960 0.001 0.000 0.324 1127 G HA3 0.567 4.527 3.960 0.001 0.000 0.324 1127 G C -0.294 174.661 174.900 0.091 0.000 1.217 1127 G CA -0.963 44.186 45.100 0.080 0.000 0.989 1127 G HN 0.573 nan 8.290 nan 0.000 0.490 1128 L N -0.756 120.493 121.223 0.043 0.000 2.448 1128 L HA 0.568 4.909 4.340 0.001 0.000 0.258 1128 L C 0.665 177.569 176.870 0.055 0.000 1.104 1128 L CA -0.942 53.926 54.840 0.047 0.000 0.800 1128 L CB 1.188 43.254 42.059 0.011 0.000 1.241 1128 L HN 0.432 nan 8.230 nan 0.000 0.472 1129 R N 0.283 120.810 120.500 0.045 0.000 2.349 1129 R HA 0.301 4.642 4.340 0.001 0.000 0.299 1129 R C -1.299 175.041 176.300 0.066 0.000 1.027 1129 R CA -0.019 56.109 56.100 0.047 0.000 0.958 1129 R CB 0.595 30.898 30.300 0.005 0.000 1.047 1129 R HN 0.409 nan 8.270 nan 0.000 0.468 1130 F N 4.321 124.251 119.950 -0.032 0.000 2.660 1130 F HA 0.491 5.018 4.527 0.001 0.000 0.352 1130 F C 0.022 175.797 175.800 -0.042 0.000 1.257 1130 F CA -0.378 57.597 58.000 -0.041 0.000 1.200 1130 F CB 0.896 39.855 39.000 -0.068 0.000 1.473 1130 F HN 0.675 nan 8.300 nan 0.000 0.561 1131 G N 2.022 110.745 108.800 -0.129 0.000 2.537 1131 G HA2 0.187 4.147 3.960 0.001 0.000 0.297 1131 G HA3 0.187 4.147 3.960 0.001 0.000 0.297 1131 G C 0.599 175.443 174.900 -0.094 0.000 1.310 1131 G CA -0.358 44.705 45.100 -0.062 0.000 1.027 1131 G HN 0.521 nan 8.290 nan 0.000 0.505 1132 E N -0.723 119.450 120.200 -0.045 0.000 2.110 1132 E HA -0.332 4.018 4.350 0.001 0.000 0.225 1132 E C 2.608 179.164 176.600 -0.074 0.000 1.063 1132 E CA 2.284 58.661 56.400 -0.038 0.000 0.906 1132 E CB -0.281 29.399 29.700 -0.032 0.000 0.795 1132 E HN 0.497 nan 8.360 nan 0.000 0.479 1133 M N 0.136 119.678 119.600 -0.097 0.000 2.089 1133 M HA -0.245 4.235 4.480 0.001 0.000 0.257 1133 M C 2.142 178.347 176.300 -0.159 0.000 1.071 1133 M CA 1.776 57.010 55.300 -0.109 0.000 1.096 1133 M CB -0.650 31.888 32.600 -0.103 0.000 1.330 1133 M HN 0.034 nan 8.290 nan 0.000 0.403 1134 E N -0.285 119.738 120.200 -0.295 0.000 2.268 1134 E HA -0.103 4.248 4.350 0.001 0.000 0.195 1134 E C 1.989 178.348 176.600 -0.401 0.000 0.995 1134 E CA 0.723 56.827 56.400 -0.494 0.000 0.836 1134 E CB -0.242 28.870 29.700 -0.980 0.000 0.763 1134 E HN 0.378 nan 8.360 nan 0.000 0.491 1135 R N 0.855 121.241 120.500 -0.189 0.000 2.052 1135 R HA -0.125 4.215 4.340 0.001 0.000 0.226 1135 R C 1.025 177.365 176.300 0.066 0.000 1.145 1135 R CA 1.583 57.752 56.100 0.116 0.000 0.952 1135 R CB -0.142 30.233 30.300 0.126 0.000 0.847 1135 R HN 0.053 nan 8.270 nan 0.000 0.431 1136 D N 0.142 120.545 120.400 0.005 0.000 2.292 1136 D HA -0.202 4.438 4.640 0.001 0.000 0.205 1136 D C 1.729 178.030 176.300 0.002 0.000 0.994 1136 D CA 1.194 55.194 54.000 -0.001 0.000 0.897 1136 D CB -0.272 40.512 40.800 -0.027 0.000 0.907 1136 D HN 0.320 nan 8.370 nan 0.000 0.467 1137 C N -0.299 119.007 119.300 0.010 0.000 2.507 1137 C HA 0.086 4.546 4.460 0.001 0.000 0.280 1137 C C 2.470 177.541 174.990 0.135 0.000 1.345 1137 C CA -0.121 58.910 59.018 0.022 0.000 1.736 1137 C CB -0.407 27.356 27.740 0.038 0.000 2.060 1137 C HN 0.313 nan 8.230 nan 0.000 0.498 1138 M N 1.024 120.756 119.600 0.220 0.000 2.229 1138 M HA -0.017 4.464 4.480 0.001 0.000 0.264 1138 M C 1.899 178.319 176.300 0.201 0.000 1.063 1138 M CA 1.428 56.910 55.300 0.304 0.000 1.114 1138 M CB -1.263 31.529 32.600 0.321 0.000 1.387 1138 M HN 0.362 nan 8.290 nan 0.000 0.420 1139 I N -0.053 120.590 120.570 0.121 0.000 2.252 1139 I HA -0.248 3.922 4.170 0.001 0.000 0.245 1139 I C 2.590 178.742 176.117 0.059 0.000 1.102 1139 I CA 1.048 62.394 61.300 0.077 0.000 1.385 1139 I CB -0.737 37.290 38.000 0.046 0.000 1.064 1139 I HN 0.211 nan 8.210 nan 0.000 0.414 1140 A N 0.676 123.510 122.820 0.022 0.000 1.849 1140 A HA -0.293 4.027 4.320 0.001 0.000 0.217 1140 A C 2.225 179.796 177.584 -0.021 0.000 1.202 1140 A CA 1.882 53.894 52.037 -0.041 0.000 0.629 1140 A CB -1.237 17.684 19.000 -0.131 0.000 0.834 1140 A HN 0.424 nan 8.150 nan 0.000 0.447 1141 H N -0.856 118.242 119.070 0.047 0.000 2.460 1141 H HA -0.070 4.487 4.556 0.001 0.000 0.297 1141 H C 1.734 177.090 175.328 0.047 0.000 1.103 1141 H CA 1.372 57.449 56.048 0.049 0.000 1.292 1141 H CB -0.529 29.277 29.762 0.074 0.000 1.376 1141 H HN 0.813 nan 8.280 nan 0.000 0.531 1142 G N -0.280 108.620 108.800 0.167 0.000 2.182 1142 G HA2 -0.215 3.745 3.960 0.001 0.000 0.248 1142 G HA3 -0.215 3.745 3.960 0.001 0.000 0.248 1142 G C 0.508 175.479 174.900 0.119 0.000 1.042 1142 G CA 0.422 45.588 45.100 0.110 0.000 0.775 1142 G HN 0.699 nan 8.290 nan 0.000 0.501 1143 A N -0.194 122.724 122.820 0.163 0.000 3.168 1143 A HA 0.840 5.160 4.320 0.001 0.000 0.260 1143 A C 1.894 179.564 177.584 0.142 0.000 1.598 1143 A CA 0.986 53.118 52.037 0.159 0.000 1.285 1143 A CB -0.483 18.649 19.000 0.220 0.000 1.149 1143 A HN 1.976 nan 8.150 nan 0.000 0.630 1144 A N 0.952 123.827 122.820 0.092 0.000 1.879 1144 A HA -0.265 4.055 4.320 0.001 0.000 0.222 1144 A C 2.525 180.140 177.584 0.052 0.000 1.368 1144 A CA 2.745 54.819 52.037 0.061 0.000 0.707 1144 A CB -1.284 17.743 19.000 0.045 0.000 0.846 1144 A HN 0.664 nan 8.150 nan 0.000 0.468 1145 S N -1.221 114.516 115.700 0.061 0.000 2.365 1145 S HA -0.189 4.281 4.470 0.001 0.000 0.225 1145 S C 1.681 176.325 174.600 0.074 0.000 1.039 1145 S CA 1.673 59.905 58.200 0.054 0.000 1.033 1145 S CB -0.618 62.616 63.200 0.056 0.000 0.887 1145 S HN 0.621 nan 8.310 nan 0.000 0.447 1146 F N 2.227 122.152 119.950 -0.041 0.000 2.161 1146 F HA -0.099 4.429 4.527 0.001 0.000 0.300 1146 F C 1.880 177.615 175.800 -0.109 0.000 1.089 1146 F CA 0.871 58.831 58.000 -0.067 0.000 1.282 1146 F CB -0.683 38.287 39.000 -0.049 0.000 1.010 1146 F HN 0.148 nan 8.300 nan 0.000 0.485 1147 L N 0.582 121.665 121.223 -0.233 0.000 1.955 1147 L HA -0.292 4.049 4.340 0.001 0.000 0.213 1147 L C 2.722 179.397 176.870 -0.326 0.000 1.072 1147 L CA 2.322 56.957 54.840 -0.343 0.000 0.755 1147 L CB -0.764 41.238 42.059 -0.094 0.000 0.888 1147 L HN 0.200 nan 8.230 nan 0.000 0.432 1148 K N -0.173 120.130 120.400 -0.161 0.000 2.089 1148 K HA -0.322 3.998 4.320 0.001 0.000 0.210 1148 K C 1.960 178.457 176.600 -0.171 0.000 1.048 1148 K CA 2.279 58.490 56.287 -0.128 0.000 0.926 1148 K CB -0.246 32.219 32.500 -0.059 0.000 0.714 1148 K HN 0.462 nan 8.250 nan 0.000 0.448 1149 E N -0.048 120.040 120.200 -0.187 0.000 2.051 1149 E HA -0.196 4.154 4.350 0.001 0.000 0.192 1149 E C 2.167 178.600 176.600 -0.279 0.000 0.991 1149 E CA 0.869 57.167 56.400 -0.170 0.000 0.799 1149 E CB 0.138 29.801 29.700 -0.061 0.000 0.748 1149 E HN 0.259 nan 8.360 nan 0.000 0.449 1150 R N 0.192 120.369 120.500 -0.539 0.000 2.080 1150 R HA -0.151 4.189 4.340 0.001 0.000 0.236 1150 R C 2.453 178.498 176.300 -0.426 0.000 1.137 1150 R CA 0.817 56.530 56.100 -0.645 0.000 0.943 1150 R CB -0.954 28.533 30.300 -1.356 0.000 0.846 1150 R HN 0.219 nan 8.270 nan 0.000 0.431 1151 L N 0.026 121.019 121.223 -0.384 0.000 2.187 1151 L HA -0.146 4.194 4.340 0.001 0.000 0.213 1151 L C 2.123 178.919 176.870 -0.123 0.000 1.100 1151 L CA 1.641 56.357 54.840 -0.206 0.000 0.765 1151 L CB -0.271 41.695 42.059 -0.155 0.000 0.904 1151 L HN 0.173 nan 8.230 nan 0.000 0.437 1152 M N -2.056 117.470 119.600 -0.123 0.000 3.119 1152 M HA 0.090 4.570 4.480 0.001 0.000 0.160 1152 M C 1.868 178.124 176.300 -0.072 0.000 1.675 1152 M CA 0.306 55.562 55.300 -0.072 0.000 1.577 1152 M CB -0.871 31.694 32.600 -0.059 0.000 0.826 1152 M HN -0.187 nan 8.290 nan 0.000 0.549 1153 E N 1.406 121.558 120.200 -0.080 0.000 2.401 1153 E HA -0.121 4.230 4.350 0.001 0.000 0.204 1153 E C 0.744 177.306 176.600 -0.063 0.000 1.036 1153 E CA 1.323 57.681 56.400 -0.070 0.000 0.856 1153 E CB -0.266 29.394 29.700 -0.067 0.000 0.770 1153 E HN 0.491 nan 8.360 nan 0.000 0.527 1154 A N -1.041 121.730 122.820 -0.081 0.000 2.676 1154 A HA 0.527 4.847 4.320 0.001 0.000 0.297 1154 A C 0.713 178.255 177.584 -0.070 0.000 1.132 1154 A CA 0.252 52.245 52.037 -0.074 0.000 0.972 1154 A CB 0.538 19.483 19.000 -0.093 0.000 1.197 1154 A HN 0.080 nan 8.150 nan 0.000 0.524 1155 S N -1.455 114.210 115.700 -0.057 0.000 5.518 1155 S HA 0.072 4.542 4.470 0.001 0.000 0.155 1155 S C -0.014 174.568 174.600 -0.030 0.000 1.390 1155 S CA 0.580 58.753 58.200 -0.046 0.000 0.966 1155 S CB -0.495 62.672 63.200 -0.054 0.000 1.978 1155 S HN 0.214 nan 8.310 nan 0.000 0.624 1156 D N 1.531 121.923 120.400 -0.013 0.000 1.971 1156 D HA 0.331 4.971 4.640 0.001 0.000 0.253 1156 D C 0.824 177.167 176.300 0.071 0.000 1.019 1156 D CA 1.871 55.890 54.000 0.031 0.000 0.947 1156 D CB -0.966 39.873 40.800 0.066 0.000 1.256 1156 D HN 1.245 nan 8.370 nan 0.000 0.493 1157 A N -0.297 122.583 122.820 0.100 0.000 2.379 1157 A HA -0.072 4.248 4.320 0.001 0.000 0.665 1157 A C -0.569 177.188 177.584 0.288 0.000 0.178 1157 A CA 0.407 52.515 52.037 0.117 0.000 0.125 1157 A CB -1.432 17.583 19.000 0.024 0.000 3.856 1157 A HN 0.345 nan 8.150 nan 0.000 0.531 1158 F N 2.784 122.782 119.950 0.080 0.000 2.688 1158 F HA 0.688 5.215 4.527 0.001 0.000 0.308 1158 F C -0.519 175.368 175.800 0.145 0.000 1.117 1158 F CA -0.845 57.225 58.000 0.116 0.000 0.976 1158 F CB 1.322 40.407 39.000 0.141 0.000 1.291 1158 F HN 0.802 nan 8.300 nan 0.000 0.439 1159 R N 5.114 125.350 120.500 -0.440 0.000 2.275 1159 R HA 0.672 5.012 4.340 0.001 0.000 0.326 1159 R C -1.795 174.007 176.300 -0.830 0.000 0.973 1159 R CA -0.211 55.640 56.100 -0.416 0.000 0.854 1159 R CB 0.839 31.077 30.300 -0.104 0.000 1.156 1159 R HN 0.530 nan 8.270 nan 0.000 0.487 1160 V N 3.293 122.795 119.914 -0.687 0.000 3.096 1160 V HA 0.518 4.639 4.120 0.001 0.000 0.319 1160 V C 0.152 175.949 176.094 -0.496 0.000 1.103 1160 V CA -0.945 61.031 62.300 -0.540 0.000 1.016 1160 V CB 2.078 33.708 31.823 -0.321 0.000 1.090 1160 V HN 0.660 nan 8.190 nan 0.000 0.449 1161 H N 0.886 119.895 119.070 -0.101 0.000 2.621 1161 H HA 0.729 5.285 4.556 0.001 0.000 0.360 1161 H C -0.793 174.514 175.328 -0.035 0.000 1.163 1161 H CA -0.297 55.708 56.048 -0.070 0.000 1.194 1161 H CB 2.352 32.093 29.762 -0.034 0.000 1.649 1161 H HN 0.465 nan 8.280 nan 0.000 0.532 1162 I N 0.262 120.895 120.570 0.104 0.000 3.322 1162 I HA 0.251 4.421 4.170 0.001 0.000 0.313 1162 I C -0.156 176.004 176.117 0.071 0.000 1.129 1162 I CA -1.004 60.349 61.300 0.088 0.000 0.963 1162 I CB 2.384 40.445 38.000 0.102 0.000 1.273 1162 I HN 0.432 nan 8.210 nan 0.000 0.473 1163 C N 0.883 120.230 119.300 0.078 0.000 2.355 1163 C HA 0.642 5.102 4.460 0.001 0.000 0.332 1163 C C 1.493 176.534 174.990 0.086 0.000 1.255 1163 C CA -0.124 58.924 59.018 0.050 0.000 1.792 1163 C CB 0.361 28.126 27.740 0.042 0.000 2.300 1163 C HN 1.001 nan 8.230 nan 0.000 0.515 1164 G N 3.799 112.651 108.800 0.086 0.000 2.744 1164 G HA2 0.061 4.021 3.960 0.001 0.000 0.211 1164 G HA3 0.061 4.021 3.960 0.001 0.000 0.211 1164 G C 1.024 175.835 174.900 -0.147 0.000 1.143 1164 G CA 0.530 45.681 45.100 0.084 0.000 0.788 1164 G HN 0.809 nan 8.290 nan 0.000 0.534 1165 I N 0.386 120.913 120.570 -0.072 0.000 2.731 1165 I HA 0.051 4.222 4.170 0.001 0.000 0.235 1165 I C 0.976 177.103 176.117 0.017 0.000 1.064 1165 I CA 0.377 61.633 61.300 -0.074 0.000 1.439 1165 I CB 0.045 38.031 38.000 -0.022 0.000 1.255 1165 I HN 0.211 nan 8.210 nan 0.000 0.446 1166 c N 1.610 120.261 118.600 0.085 0.000 2.223 1166 c HA 0.621 5.191 4.570 0.001 0.000 0.324 1166 c C 1.136 175.339 174.090 0.188 0.000 1.196 1166 c CA -1.246 55.173 56.329 0.151 0.000 1.628 1166 c CB -0.610 41.947 42.510 0.079 0.000 2.229 1166 c HN 0.600 nan 8.230 nan 0.000 0.486 1167 G N 4.308 113.324 108.800 0.360 0.000 2.990 1167 G HA2 0.366 4.326 3.960 0.001 0.000 0.256 1167 G HA3 0.366 4.326 3.960 0.001 0.000 0.256 1167 G C -0.117 174.807 174.900 0.039 0.000 0.798 1167 G CA 0.148 45.397 45.100 0.249 0.000 2.012 1167 G HN 0.837 nan 8.290 nan 0.000 0.598 1168 L N -0.734 120.517 121.223 0.048 0.000 2.257 1168 L HA 0.465 4.805 4.340 0.001 0.000 0.257 1168 L C 1.406 178.300 176.870 0.041 0.000 1.033 1168 L CA -1.208 53.641 54.840 0.016 0.000 0.835 1168 L CB 1.503 43.574 42.059 0.019 0.000 1.398 1168 L HN 0.049 nan 8.230 nan 0.000 0.429 1169 M N -0.768 118.860 119.600 0.047 0.000 2.618 1169 M HA 0.015 4.496 4.480 0.001 0.000 0.240 1169 M C 1.503 177.848 176.300 0.075 0.000 1.123 1169 M CA 0.286 55.627 55.300 0.067 0.000 1.060 1169 M CB -0.788 31.859 32.600 0.079 0.000 1.535 1169 M HN 0.838 nan 8.290 nan 0.000 0.507 1170 T N 1.394 115.986 114.554 0.062 0.000 2.567 1170 T HA -0.176 4.175 4.350 0.001 0.000 0.261 1170 T C 1.095 175.835 174.700 0.068 0.000 1.123 1170 T CA 1.016 63.152 62.100 0.059 0.000 1.166 1170 T CB -1.187 67.710 68.868 0.048 0.000 0.860 1170 T HN 0.309 nan 8.240 nan 0.000 0.436 1171 V N 2.137 122.093 119.914 0.070 0.000 3.023 1171 V HA -0.165 3.955 4.120 0.001 0.000 0.274 1171 V C 0.678 176.824 176.094 0.087 0.000 1.534 1171 V CA 0.752 63.098 62.300 0.077 0.000 1.504 1171 V CB -0.560 31.313 31.823 0.083 0.000 0.849 1171 V HN 0.442 nan 8.190 nan 0.000 0.493 1172 I N 4.658 125.276 120.570 0.080 0.000 2.417 1172 I HA 0.345 4.516 4.170 0.001 0.000 0.283 1172 I C 0.833 176.971 176.117 0.036 0.000 1.121 1172 I CA -0.227 61.109 61.300 0.059 0.000 1.211 1172 I CB 0.597 38.621 38.000 0.040 0.000 1.492 1172 I HN 0.779 nan 8.210 nan 0.000 0.522 1173 A N 5.498 128.337 122.820 0.033 0.000 2.444 1173 A HA 0.198 4.518 4.320 0.001 0.000 0.287 1173 A C 0.743 178.222 177.584 -0.176 0.000 1.195 1173 A CA -0.061 51.921 52.037 -0.092 0.000 0.858 1173 A CB -0.152 18.730 19.000 -0.196 0.000 1.117 1173 A HN 0.613 nan 8.150 nan 0.000 0.521 1174 K N 3.418 123.625 120.400 -0.323 0.000 2.827 1174 K HA 0.202 4.522 4.320 0.001 0.000 0.222 1174 K C -0.460 175.968 176.600 -0.288 0.000 1.114 1174 K CA -0.249 55.903 56.287 -0.225 0.000 1.206 1174 K CB -0.168 32.241 32.500 -0.151 0.000 1.035 1174 K HN 0.776 nan 8.250 nan 0.000 0.464 1175 L N 1.983 123.032 121.223 -0.291 0.000 6.221 1175 L HA -0.302 4.038 4.340 0.001 0.000 0.342 1175 L C 0.777 177.520 176.870 -0.211 0.000 1.548 1175 L CA 0.475 55.190 54.840 -0.209 0.000 0.914 1175 L CB -1.193 40.846 42.059 -0.034 0.000 1.572 1175 L HN 0.567 nan 8.230 nan 0.000 0.303 1176 N N -0.781 117.742 118.700 -0.295 0.000 2.595 1176 N HA -0.056 4.684 4.740 0.001 0.000 0.345 1176 N C 0.830 176.111 175.510 -0.382 0.000 0.571 1176 N CA -0.202 52.617 53.050 -0.385 0.000 1.467 1176 N CB 0.149 38.266 38.487 -0.617 0.000 1.701 1176 N HN 0.505 nan 8.380 nan 0.000 1.779 1177 H N 2.622 121.610 119.070 -0.137 0.000 2.555 1177 H HA 0.318 4.875 4.556 0.001 0.000 0.283 1177 H C 0.203 175.420 175.328 -0.185 0.000 1.037 1177 H CA 0.067 56.039 56.048 -0.126 0.000 1.169 1177 H CB -0.164 29.534 29.762 -0.106 0.000 1.375 1177 H HN 0.356 nan 8.280 nan 0.000 0.582 1178 N N 0.647 119.210 118.700 -0.229 0.000 2.848 1178 N HA -0.248 4.492 4.740 0.001 0.000 0.236 1178 N C 0.173 175.324 175.510 -0.598 0.000 0.951 1178 N CA 0.975 53.791 53.050 -0.391 0.000 1.021 1178 N CB -0.848 37.562 38.487 -0.129 0.000 1.090 1178 N HN 0.579 nan 8.380 nan 0.000 0.611 1179 Q N -1.050 118.543 119.800 -0.345 0.000 2.352 1179 Q HA 0.004 4.345 4.340 0.001 0.000 0.326 1179 Q C 0.745 176.463 176.000 -0.470 0.000 1.135 1179 Q CA 0.886 56.538 55.803 -0.250 0.000 1.000 1179 Q CB 0.135 28.801 28.738 -0.119 0.000 1.237 1179 Q HN 0.402 nan 8.270 nan 0.000 0.409 1180 F N -0.723 119.187 119.950 -0.067 0.000 2.675 1180 F HA 0.080 4.607 4.527 0.001 0.000 0.315 1180 F C 0.521 176.275 175.800 -0.077 0.000 0.888 1180 F CA -0.342 57.596 58.000 -0.103 0.000 1.100 1180 F CB 0.703 39.625 39.000 -0.130 0.000 0.908 1180 F HN 0.600 nan 8.300 nan 0.000 0.657 1181 E N -0.492 119.787 120.200 0.133 0.000 6.294 1181 E HA -0.406 3.944 4.350 0.001 0.000 0.173 1181 E C 0.011 176.646 176.600 0.059 0.000 1.511 1181 E CA 1.342 57.783 56.400 0.068 0.000 2.628 1181 E CB -0.487 29.236 29.700 0.039 0.000 1.927 1181 E HN 0.489 nan 8.360 nan 0.000 0.413 1182 C N 0.826 120.148 119.300 0.038 0.000 3.636 1182 C HA 0.044 4.504 4.460 0.001 0.000 0.394 1182 C C -1.032 173.973 174.990 0.025 0.000 2.513 1182 C CA 0.012 59.050 59.018 0.034 0.000 1.370 1182 C CB -1.151 26.605 27.740 0.027 0.000 2.064 1182 C HN 0.670 nan 8.230 nan 0.000 0.533 1183 K N 1.121 121.535 120.400 0.023 0.000 2.616 1183 K HA 0.376 4.697 4.320 0.001 0.000 0.276 1183 K C 1.380 177.992 176.600 0.019 0.000 0.979 1183 K CA 1.690 57.988 56.287 0.018 0.000 1.055 1183 K CB -0.334 32.176 32.500 0.016 0.000 0.826 1183 K HN 1.711 nan 8.250 nan 0.000 0.490 1184 G N 0.413 109.222 108.800 0.016 0.000 3.349 1184 G HA2 -0.311 3.649 3.960 0.001 0.000 0.202 1184 G HA3 -0.311 3.649 3.960 0.001 0.000 0.202 1184 G C 1.078 175.987 174.900 0.016 0.000 1.588 1184 G CA -0.179 44.931 45.100 0.017 0.000 1.198 1184 G HN 0.743 nan 8.290 nan 0.000 0.588 1185 c N 2.030 120.641 118.600 0.018 0.000 2.799 1185 c HA 0.505 5.075 4.570 0.001 0.000 0.267 1185 c C 0.735 174.831 174.090 0.010 0.000 1.257 1185 c CA -0.277 56.062 56.329 0.016 0.000 1.702 1185 c CB -0.570 41.953 42.510 0.021 0.000 1.934 1185 c HN 0.826 nan 8.230 nan 0.000 0.594 1186 D N 2.384 122.790 120.400 0.011 0.000 3.898 1186 D HA -0.182 4.459 4.640 0.001 0.000 0.217 1186 D C -0.323 175.979 176.300 0.003 0.000 1.023 1186 D CA 0.968 54.973 54.000 0.008 0.000 1.163 1186 D CB -0.277 40.526 40.800 0.006 0.000 0.753 1186 D HN 0.571 nan 8.370 nan 0.000 0.386 1187 N N 2.782 121.485 118.700 0.004 0.000 3.455 1187 N HA 0.510 5.251 4.740 0.001 0.000 0.358 1187 N C 0.522 176.034 175.510 0.004 0.000 1.580 1187 N CA -0.180 52.867 53.050 -0.006 0.000 0.692 1187 N CB 1.159 39.635 38.487 -0.019 0.000 1.978 1187 N HN 0.519 nan 8.380 nan 0.000 0.651 1188 K N -1.012 119.387 120.400 -0.002 0.000 1.017 1188 K HA 0.139 4.459 4.320 0.001 0.000 0.067 1188 K C 0.958 177.560 176.600 0.002 0.000 2.385 1188 K CA 0.125 56.429 56.287 0.029 0.000 0.960 1188 K CB -0.303 32.213 32.500 0.026 0.000 2.650 1188 K HN 0.320 nan 8.250 nan 0.000 0.312 1189 I N 0.773 121.318 120.570 -0.042 0.000 3.098 1189 I HA 0.014 4.185 4.170 0.001 0.000 0.241 1189 I C 0.335 176.358 176.117 -0.156 0.000 1.081 1189 I CA 0.272 61.527 61.300 -0.075 0.000 1.487 1189 I CB 0.267 38.234 38.000 -0.055 0.000 1.366 1189 I HN 0.030 nan 8.210 nan 0.000 0.463 1190 D N 2.138 122.450 120.400 -0.147 0.000 2.383 1190 D HA 0.387 5.027 4.640 0.001 0.000 0.245 1190 D C -0.741 175.384 176.300 -0.291 0.000 1.263 1190 D CA 0.516 54.388 54.000 -0.212 0.000 0.936 1190 D CB 0.101 40.846 40.800 -0.090 0.000 1.053 1190 D HN 0.042 nan 8.370 nan 0.000 0.507 1191 I N 3.267 123.505 120.570 -0.552 0.000 2.692 1191 I HA 0.271 4.442 4.170 0.001 0.000 0.293 1191 I C -1.007 174.616 176.117 -0.824 0.000 1.200 1191 I CA -0.864 60.109 61.300 -0.546 0.000 1.036 1191 I CB 1.463 39.130 38.000 -0.556 0.000 1.258 1191 I HN 0.241 nan 8.210 nan 0.000 0.421 1192 Y N 3.203 123.405 120.300 -0.163 0.000 2.650 1192 Y HA 0.563 5.114 4.550 0.001 0.000 0.331 1192 Y C -0.142 175.694 175.900 -0.107 0.000 1.082 1192 Y CA -0.622 57.397 58.100 -0.134 0.000 1.171 1192 Y CB 1.377 39.773 38.460 -0.106 0.000 1.326 1192 Y HN 0.374 nan 8.280 nan 0.000 0.513 1193 Q N 2.529 122.340 119.800 0.018 0.000 2.323 1193 Q HA 0.668 5.008 4.340 0.001 0.000 0.271 1193 Q C -1.723 174.145 176.000 -0.220 0.000 1.048 1193 Q CA -0.682 55.009 55.803 -0.187 0.000 0.792 1193 Q CB 2.159 30.773 28.738 -0.208 0.000 1.280 1193 Q HN 0.777 nan 8.270 nan 0.000 0.441 1194 I N -0.681 119.714 120.570 -0.291 0.000 2.969 1194 I HA 0.563 4.734 4.170 0.001 0.000 0.307 1194 I C -1.181 174.765 176.117 -0.286 0.000 1.149 1194 I CA -1.085 60.068 61.300 -0.245 0.000 1.008 1194 I CB 2.421 40.361 38.000 -0.101 0.000 1.232 1194 I HN 0.534 nan 8.210 nan 0.000 0.435 1195 H N 4.952 123.981 119.070 -0.067 0.000 2.476 1195 H HA 0.739 5.295 4.556 0.001 0.000 0.328 1195 H C -0.669 174.648 175.328 -0.017 0.000 1.073 1195 H CA -0.415 55.598 56.048 -0.058 0.000 1.229 1195 H CB 1.871 31.614 29.762 -0.031 0.000 1.432 1195 H HN 0.738 nan 8.280 nan 0.000 0.477 1196 I N 0.324 120.971 120.570 0.128 0.000 2.913 1196 I HA 0.465 4.635 4.170 0.001 0.000 0.302 1196 I C -2.897 173.296 176.117 0.126 0.000 1.246 1196 I CA -2.679 58.684 61.300 0.105 0.000 1.010 1196 I CB 3.159 41.217 38.000 0.097 0.000 1.259 1196 I HN 0.178 nan 8.210 nan 0.000 0.434 1197 P HA -0.088 nan 4.420 nan 0.000 0.261 1197 P C 0.298 177.674 177.300 0.127 0.000 1.203 1197 P CA 0.464 63.618 63.100 0.090 0.000 0.767 1197 P CB 0.373 32.087 31.700 0.025 0.000 0.785 1198 Y N 5.189 125.538 120.300 0.082 0.000 2.132 1198 Y HA -0.371 4.180 4.550 0.001 0.000 0.280 1198 Y C 2.455 178.336 175.900 -0.033 0.000 1.193 1198 Y CA 2.513 60.644 58.100 0.051 0.000 1.157 1198 Y CB -0.632 37.763 38.460 -0.110 0.000 0.966 1198 Y HN 0.488 nan 8.280 nan 0.000 0.511 1199 A N 0.281 123.237 122.820 0.226 0.000 1.927 1199 A HA -0.286 4.035 4.320 0.001 0.000 0.220 1199 A C 2.389 179.929 177.584 -0.073 0.000 1.185 1199 A CA 2.269 54.363 52.037 0.094 0.000 0.639 1199 A CB -1.573 17.442 19.000 0.025 0.000 0.820 1199 A HN 0.671 nan 8.150 nan 0.000 0.451 1200 A N -0.047 122.674 122.820 -0.165 0.000 1.877 1200 A HA -0.169 4.151 4.320 0.001 0.000 0.216 1200 A C 2.131 179.302 177.584 -0.689 0.000 1.186 1200 A CA 2.091 53.845 52.037 -0.470 0.000 0.620 1200 A CB -0.551 18.222 19.000 -0.380 0.000 0.822 1200 A HN 0.633 nan 8.150 nan 0.000 0.443 1201 K N -0.200 120.007 120.400 -0.322 0.000 2.015 1201 K HA -0.207 4.113 4.320 0.001 0.000 0.216 1201 K C 1.977 178.479 176.600 -0.164 0.000 1.052 1201 K CA 2.012 58.202 56.287 -0.162 0.000 0.937 1201 K CB -0.529 31.844 32.500 -0.212 0.000 0.719 1201 K HN 0.426 nan 8.250 nan 0.000 0.446 1202 L N 0.998 122.114 121.223 -0.179 0.000 2.081 1202 L HA -0.215 4.126 4.340 0.001 0.000 0.212 1202 L C 2.683 179.514 176.870 -0.065 0.000 1.080 1202 L CA 0.940 55.748 54.840 -0.053 0.000 0.754 1202 L CB -0.365 41.733 42.059 0.065 0.000 0.893 1202 L HN 0.380 nan 8.230 nan 0.000 0.433 1203 L N -0.538 120.564 121.223 -0.201 0.000 2.013 1203 L HA -0.263 4.078 4.340 0.001 0.000 0.212 1203 L C 2.156 179.019 176.870 -0.012 0.000 1.073 1203 L CA 1.956 56.689 54.840 -0.179 0.000 0.753 1203 L CB -0.731 41.105 42.059 -0.371 0.000 0.890 1203 L HN 0.114 nan 8.230 nan 0.000 0.432 1204 F N -0.558 119.395 119.950 0.004 0.000 2.051 1204 F HA -0.253 4.275 4.527 0.001 0.000 0.296 1204 F C 2.655 178.457 175.800 0.003 0.000 1.122 1204 F CA 1.161 59.160 58.000 -0.001 0.000 1.201 1204 F CB -0.612 38.384 39.000 -0.007 0.000 0.978 1204 F HN 0.128 nan 8.300 nan 0.000 0.472 1205 Q N 0.604 120.527 119.800 0.205 0.000 2.096 1205 Q HA -0.272 4.068 4.340 0.001 0.000 0.208 1205 Q C 1.975 178.031 176.000 0.093 0.000 0.993 1205 Q CA 2.151 58.025 55.803 0.119 0.000 0.862 1205 Q CB -0.455 28.332 28.738 0.081 0.000 0.915 1205 Q HN 0.553 nan 8.270 nan 0.000 0.416 1206 E N 0.508 120.756 120.200 0.079 0.000 2.085 1206 E HA -0.199 4.151 4.350 0.001 0.000 0.194 1206 E C 2.113 178.754 176.600 0.068 0.000 0.994 1206 E CA 0.940 57.377 56.400 0.062 0.000 0.801 1206 E CB -0.173 29.554 29.700 0.046 0.000 0.743 1206 E HN 0.329 nan 8.360 nan 0.000 0.453 1207 L N 0.220 121.500 121.223 0.095 0.000 1.994 1207 L HA -0.222 4.119 4.340 0.001 0.000 0.208 1207 L C 2.631 179.538 176.870 0.063 0.000 1.071 1207 L CA 1.202 56.094 54.840 0.087 0.000 0.745 1207 L CB -0.319 41.817 42.059 0.128 0.000 0.892 1207 L HN 0.206 nan 8.230 nan 0.000 0.431 1208 M N -0.607 119.034 119.600 0.069 0.000 2.082 1208 M HA -0.260 4.220 4.480 0.001 0.000 0.258 1208 M C 2.414 178.738 176.300 0.039 0.000 1.069 1208 M CA 2.094 57.422 55.300 0.045 0.000 1.102 1208 M CB -0.641 31.989 32.600 0.050 0.000 1.336 1208 M HN 0.329 nan 8.290 nan 0.000 0.404 1209 A N -0.416 122.431 122.820 0.045 0.000 2.076 1209 A HA -0.126 4.194 4.320 0.001 0.000 0.220 1209 A C 1.971 179.573 177.584 0.031 0.000 1.160 1209 A CA 1.407 53.467 52.037 0.038 0.000 0.653 1209 A CB -0.681 18.343 19.000 0.040 0.000 0.801 1209 A HN 0.542 nan 8.150 nan 0.000 0.455 1210 M N -1.047 118.572 119.600 0.032 0.000 2.453 1210 M HA 0.109 4.590 4.480 0.001 0.000 0.239 1210 M C 0.633 176.946 176.300 0.022 0.000 1.151 1210 M CA 0.000 55.316 55.300 0.026 0.000 0.989 1210 M CB -0.034 32.583 32.600 0.028 0.000 1.548 1210 M HN 0.592 nan 8.290 nan 0.000 0.479 1211 N N 1.014 119.727 118.700 0.021 0.000 2.878 1211 N HA -0.172 4.568 4.740 0.001 0.000 0.247 1211 N C -0.576 174.940 175.510 0.010 0.000 1.021 1211 N CA 0.537 53.596 53.050 0.015 0.000 0.873 1211 N CB -0.625 37.870 38.487 0.013 0.000 1.128 1211 N HN 0.392 nan 8.380 nan 0.000 0.571 1212 I N 1.702 122.280 120.570 0.013 0.000 2.392 1212 I HA 0.170 4.340 4.170 0.001 0.000 0.295 1212 I C 0.636 176.748 176.117 -0.007 0.000 0.985 1212 I CA -0.307 60.995 61.300 0.003 0.000 1.221 1212 I CB 1.534 39.540 38.000 0.010 0.000 1.366 1212 I HN 0.094 nan 8.210 nan 0.000 0.467 1213 T N 4.472 119.008 114.554 -0.031 0.000 2.749 1213 T HA 0.547 4.897 4.350 0.001 0.000 0.287 1213 T C -2.364 172.264 174.700 -0.119 0.000 0.970 1213 T CA -1.564 60.499 62.100 -0.062 0.000 0.980 1213 T CB 1.150 69.984 68.868 -0.056 0.000 0.924 1213 T HN 0.351 nan 8.240 nan 0.000 0.456 1214 P HA 0.393 nan 4.420 nan 0.000 0.284 1214 P C -0.660 176.409 177.300 -0.385 0.000 1.459 1214 P CA -0.746 62.151 63.100 -0.339 0.000 0.982 1214 P CB 0.780 32.156 31.700 -0.540 0.000 1.184 1215 R N 3.332 123.618 120.500 -0.356 0.000 2.265 1215 R HA 0.428 4.768 4.340 0.001 0.000 0.314 1215 R C 0.011 176.065 176.300 -0.411 0.000 1.053 1215 R CA -0.675 55.187 56.100 -0.396 0.000 0.931 1215 R CB 1.106 31.051 30.300 -0.592 0.000 1.024 1215 R HN 0.548 nan 8.270 nan 0.000 0.457 1216 L N 5.256 126.341 121.223 -0.231 0.000 2.264 1216 L HA 0.359 4.699 4.340 0.001 0.000 0.287 1216 L C -0.791 176.181 176.870 0.169 0.000 1.039 1216 L CA -0.585 54.191 54.840 -0.106 0.000 0.829 1216 L CB 0.328 42.338 42.059 -0.081 0.000 1.211 1216 L HN 0.336 nan 8.230 nan 0.000 0.427 1217 Y N 0.960 121.188 120.300 -0.119 0.000 2.377 1217 Y HA 0.199 4.750 4.550 0.001 0.000 0.339 1217 Y C 1.425 177.217 175.900 -0.179 0.000 1.011 1217 Y CA -1.647 56.370 58.100 -0.139 0.000 1.093 1217 Y CB 2.105 40.501 38.460 -0.108 0.000 1.201 1217 Y HN 0.535 nan 8.280 nan 0.000 0.455 1218 T N -2.364 112.093 114.554 -0.161 0.000 3.169 1218 T HA 0.157 4.508 4.350 0.001 0.000 0.250 1218 T C -0.451 174.124 174.700 -0.208 0.000 1.111 1218 T CA -0.019 61.920 62.100 -0.268 0.000 1.010 1218 T CB -0.620 67.894 68.868 -0.590 0.000 0.984 1218 T HN 0.529 nan 8.240 nan 0.000 0.537 1219 D N 0.191 120.514 120.400 -0.129 0.000 2.857 1219 D HA 0.324 4.964 4.640 0.001 0.000 0.227 1219 D C -0.571 175.719 176.300 -0.017 0.000 1.192 1219 D CA -1.040 52.909 54.000 -0.085 0.000 0.857 1219 D CB 1.141 41.873 40.800 -0.113 0.000 1.645 1219 D HN 0.358 nan 8.370 nan 0.000 0.482 1220 R N 0.459 120.955 120.500 -0.007 0.000 2.254 1220 R HA 0.574 4.915 4.340 0.001 0.000 0.318 1220 R C -0.060 176.249 176.300 0.015 0.000 1.031 1220 R CA -0.674 55.437 56.100 0.018 0.000 0.905 1220 R CB 0.949 31.262 30.300 0.022 0.000 1.050 1220 R HN 0.529 nan 8.270 nan 0.000 0.456 1221 S N 1.977 117.695 115.700 0.030 0.000 2.559 1221 S HA 0.043 4.514 4.470 0.001 0.000 0.226 1221 S C 1.494 176.104 174.600 0.017 0.000 1.030 1221 S CA -0.579 57.632 58.200 0.018 0.000 0.956 1221 S CB 0.180 63.398 63.200 0.029 0.000 0.900 1221 S HN 0.726 nan 8.310 nan 0.000 0.510 1222 R N 1.368 121.889 120.500 0.036 0.000 2.297 1222 R HA 0.080 4.420 4.340 0.001 0.000 0.197 1222 R C -0.520 175.800 176.300 0.032 0.000 0.943 1222 R CA 0.538 56.665 56.100 0.045 0.000 1.038 1222 R CB -0.253 30.097 30.300 0.083 0.000 0.957 1222 R HN 0.324 nan 8.270 nan 0.000 0.484 1223 D N -1.474 118.937 120.400 0.018 0.000 3.841 1223 D HA -0.268 4.372 4.640 0.001 0.000 0.276 1223 D C 0.050 176.420 176.300 0.116 0.000 2.088 1223 D CA 1.741 55.734 54.000 -0.012 0.000 1.152 1223 D CB -0.485 40.227 40.800 -0.146 0.000 0.944 1223 D HN 0.129 nan 8.370 nan 0.000 1.144 1224 F N 0.000 119.948 119.950 -0.004 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574