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 2e2j_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXE 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 TPIXXXXXXA 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 RSR 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 0.000 176.277 176.300 -0.039 0.000 2.045 20 D CA 0.000 53.985 54.000 -0.024 0.000 0.868 20 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 21 E N -0.672 119.494 120.200 -0.057 0.000 3.964 21 E HA -0.426 3.926 4.350 0.004 0.000 0.257 21 E C 0.887 177.433 176.600 -0.090 0.000 1.307 21 E CA 2.161 58.504 56.400 -0.095 0.000 2.046 21 E CB -1.412 28.227 29.700 -0.101 0.000 1.811 21 E HN 0.284 nan 8.360 nan 0.000 0.270 22 S N 1.590 117.248 115.700 -0.069 0.000 2.561 22 S HA 0.289 4.762 4.470 0.004 0.000 0.225 22 S C 0.723 175.302 174.600 -0.035 0.000 0.977 22 S CA 0.247 58.411 58.200 -0.059 0.000 0.926 22 S CB -0.045 63.127 63.200 -0.047 0.000 0.769 22 S HN 0.623 nan 8.310 nan 0.000 0.533 23 A N 3.277 126.081 122.820 -0.026 0.000 2.448 23 A HA 0.374 4.696 4.320 0.004 0.000 0.239 23 A C -2.096 175.486 177.584 -0.004 0.000 1.080 23 A CA -1.036 50.997 52.037 -0.008 0.000 0.779 23 A CB -0.215 18.784 19.000 -0.001 0.000 1.026 23 A HN 0.152 nan 8.150 nan 0.000 0.499 24 P HA 0.282 nan 4.420 nan 0.000 0.274 24 P C -0.238 177.059 177.300 -0.005 0.000 1.237 24 P CA -0.184 62.917 63.100 0.002 0.000 0.793 24 P CB 0.422 32.134 31.700 0.021 0.000 0.977 25 I N 0.541 121.090 120.570 -0.034 0.000 2.993 25 I HA 0.062 4.235 4.170 0.004 0.000 0.286 25 I C 1.066 177.183 176.117 0.000 0.000 1.215 25 I CA 0.722 62.003 61.300 -0.031 0.000 1.393 25 I CB -0.086 37.845 38.000 -0.114 0.000 1.371 25 I HN 0.380 nan 8.210 nan 0.000 0.602 26 T N 1.411 115.986 114.554 0.034 0.000 2.924 26 T HA 0.510 4.863 4.350 0.004 0.000 0.291 26 T C 0.902 175.656 174.700 0.090 0.000 1.045 26 T CA -0.300 61.834 62.100 0.057 0.000 1.015 26 T CB 1.790 70.700 68.868 0.069 0.000 1.103 26 T HN 0.667 nan 8.240 nan 0.000 0.496 27 A N 1.195 124.077 122.820 0.104 0.000 1.916 27 A HA -0.288 4.035 4.320 0.004 0.000 0.224 27 A C 2.205 179.920 177.584 0.218 0.000 1.366 27 A CA 2.300 54.432 52.037 0.158 0.000 0.692 27 A CB -1.124 17.977 19.000 0.168 0.000 0.841 27 A HN 0.931 nan 8.150 nan 0.000 0.480 28 E N -0.240 120.092 120.200 0.219 0.000 2.065 28 E HA -0.221 4.132 4.350 0.004 0.000 0.201 28 E C 1.360 178.127 176.600 0.279 0.000 1.016 28 E CA 1.625 58.188 56.400 0.271 0.000 0.818 28 E CB -0.510 29.306 29.700 0.193 0.000 0.749 28 E HN 0.636 nan 8.360 nan 0.000 0.453 29 D N -0.113 120.406 120.400 0.199 0.000 2.403 29 D HA -0.090 4.553 4.640 0.004 0.000 0.227 29 D C 1.777 178.209 176.300 0.220 0.000 0.995 29 D CA 0.758 54.872 54.000 0.190 0.000 0.928 29 D CB -0.177 40.701 40.800 0.131 0.000 0.887 29 D HN 0.159 nan 8.370 nan 0.000 0.529 30 S N -1.338 114.487 115.700 0.208 0.000 2.470 30 S HA -0.093 4.380 4.470 0.004 0.000 0.225 30 S C 1.851 176.459 174.600 0.014 0.000 1.006 30 S CA -0.205 58.094 58.200 0.164 0.000 0.934 30 S CB -0.510 62.764 63.200 0.124 0.000 0.778 30 S HN 0.309 nan 8.310 nan 0.000 0.517 31 W N 2.133 123.528 121.300 0.158 0.000 2.418 31 W HA 0.313 4.975 4.660 0.005 0.000 0.292 31 W C 2.909 179.550 176.519 0.204 0.000 1.213 31 W CA 0.430 57.865 57.345 0.150 0.000 1.283 31 W CB -0.574 28.962 29.460 0.126 0.000 1.119 31 W HN 0.389 nan 8.180 nan 0.000 0.542 32 A N 0.317 123.371 122.820 0.389 0.000 1.927 32 A HA -0.254 4.069 4.320 0.004 0.000 0.220 32 A C 1.974 179.740 177.584 0.303 0.000 1.185 32 A CA 2.608 54.836 52.037 0.320 0.000 0.639 32 A CB -1.152 18.009 19.000 0.268 0.000 0.820 32 A HN 0.134 nan 8.150 nan 0.000 0.451 33 V N 0.548 120.636 119.914 0.291 0.000 2.453 33 V HA -0.207 3.916 4.120 0.004 0.000 0.247 33 V C 2.416 178.618 176.094 0.180 0.000 1.048 33 V CA 1.522 64.004 62.300 0.304 0.000 1.049 33 V CB -0.676 31.381 31.823 0.390 0.000 0.672 33 V HN 0.538 nan 8.190 nan 0.000 0.457 34 I N 0.087 120.690 120.570 0.055 0.000 2.142 34 I HA -0.233 3.940 4.170 0.004 0.000 0.240 34 I C 2.651 178.769 176.117 0.003 0.000 1.078 34 I CA 1.679 62.928 61.300 -0.084 0.000 1.343 34 I CB -1.170 36.792 38.000 -0.063 0.000 1.046 34 I HN 0.284 nan 8.210 nan 0.000 0.405 35 S N 0.595 116.413 115.700 0.196 0.000 2.392 35 S HA -0.242 4.230 4.470 0.004 0.000 0.232 35 S C 2.147 176.890 174.600 0.239 0.000 1.041 35 S CA 1.667 60.067 58.200 0.335 0.000 1.026 35 S CB -0.294 63.168 63.200 0.436 0.000 0.845 35 S HN 0.585 nan 8.310 nan 0.000 0.465 36 A N 0.781 123.734 122.820 0.222 0.000 1.841 36 A HA 0.100 4.423 4.320 0.004 0.000 0.214 36 A C 0.879 178.527 177.584 0.106 0.000 1.195 36 A CA 0.490 52.669 52.037 0.235 0.000 0.611 36 A CB -0.800 18.423 19.000 0.372 0.000 0.835 36 A HN 0.423 nan 8.150 nan 0.000 0.443 37 F N -1.174 118.567 119.950 -0.347 0.000 2.647 37 F HA 0.153 4.683 4.527 0.004 0.000 0.363 37 F C 0.883 176.420 175.800 -0.439 0.000 1.130 37 F CA 1.594 59.042 58.000 -0.920 0.000 1.351 37 F CB -0.138 37.937 39.000 -1.542 0.000 1.026 37 F HN 0.459 nan 8.300 nan 0.000 0.607 38 F N -0.079 119.346 119.950 -0.875 0.000 2.503 38 F HA -0.416 4.114 4.527 0.005 0.000 0.721 38 F C 2.017 177.662 175.800 -0.259 0.000 0.487 38 F CA 1.239 58.949 58.000 -0.484 0.000 0.886 38 F CB -1.127 37.730 39.000 -0.238 0.000 1.714 38 F HN 0.424 nan 8.300 nan 0.000 0.272 39 R N 0.435 120.976 120.500 0.067 0.000 2.105 39 R HA -0.188 4.155 4.340 0.004 0.000 0.239 39 R C 1.806 178.088 176.300 -0.030 0.000 1.135 39 R CA 1.879 58.005 56.100 0.043 0.000 0.967 39 R CB -0.319 30.035 30.300 0.089 0.000 0.861 39 R HN 0.456 nan 8.270 nan 0.000 0.442 40 E N 0.348 120.480 120.200 -0.114 0.000 2.099 40 E HA -0.047 4.305 4.350 0.004 0.000 0.191 40 E C 1.561 178.056 176.600 -0.174 0.000 0.962 40 E CA 0.793 57.138 56.400 -0.093 0.000 0.826 40 E CB 0.401 30.101 29.700 -0.001 0.000 0.788 40 E HN 0.190 nan 8.360 nan 0.000 0.461 41 K N -0.473 119.682 120.400 -0.409 0.000 2.168 41 K HA 0.150 4.473 4.320 0.004 0.000 0.201 41 K C 1.056 177.492 176.600 -0.274 0.000 1.049 41 K CA 0.726 56.759 56.287 -0.423 0.000 0.974 41 K CB 0.730 32.733 32.500 -0.829 0.000 0.792 41 K HN 0.208 nan 8.250 nan 0.000 0.463 42 G N 0.538 109.194 108.800 -0.240 0.000 2.416 42 G HA2 -0.221 3.741 3.960 0.004 0.000 0.203 42 G HA3 -0.221 3.741 3.960 0.004 0.000 0.203 42 G C -0.013 174.910 174.900 0.038 0.000 1.227 42 G CA -0.382 44.684 45.100 -0.056 0.000 1.041 42 G HN 0.138 nan 8.290 nan 0.000 0.546 43 L N -0.023 121.230 121.223 0.051 0.000 3.076 43 L HA 0.265 4.608 4.340 0.004 0.000 0.271 43 L C 1.908 178.807 176.870 0.048 0.000 1.152 43 L CA 1.014 55.914 54.840 0.100 0.000 0.996 43 L CB 1.127 43.233 42.059 0.078 0.000 1.453 43 L HN 0.840 nan 8.230 nan 0.000 0.571 44 V N -4.477 115.445 119.914 0.014 0.000 3.176 44 V HA 0.160 4.283 4.120 0.004 0.000 0.332 44 V C 1.823 177.904 176.094 -0.021 0.000 1.414 44 V CA 0.427 62.725 62.300 -0.004 0.000 1.133 44 V CB -0.082 31.740 31.823 -0.002 0.000 1.088 44 V HN 0.295 nan 8.190 nan 0.000 0.473 45 S N 2.627 118.306 115.700 -0.035 0.000 2.389 45 S HA -0.441 4.032 4.470 0.004 0.000 0.231 45 S C 1.899 176.479 174.600 -0.034 0.000 1.052 45 S CA 2.384 60.555 58.200 -0.048 0.000 1.053 45 S CB -0.776 62.366 63.200 -0.097 0.000 0.886 45 S HN 0.863 nan 8.310 nan 0.000 0.456 46 Q N 1.408 121.180 119.800 -0.047 0.000 2.135 46 Q HA -0.147 4.196 4.340 0.004 0.000 0.204 46 Q C 2.146 178.139 176.000 -0.011 0.000 0.981 46 Q CA 1.626 57.402 55.803 -0.044 0.000 0.856 46 Q CB -0.622 28.073 28.738 -0.073 0.000 0.902 46 Q HN 0.478 nan 8.270 nan 0.000 0.425 47 Q N 0.550 120.343 119.800 -0.012 0.000 2.016 47 Q HA -0.020 4.322 4.340 0.004 0.000 0.200 47 Q C 2.363 178.386 176.000 0.039 0.000 0.978 47 Q CA 1.428 57.232 55.803 0.002 0.000 0.833 47 Q CB -0.332 28.386 28.738 -0.033 0.000 0.895 47 Q HN 0.481 nan 8.270 nan 0.000 0.427 48 L N 0.982 122.216 121.223 0.018 0.000 2.042 48 L HA -0.221 4.122 4.340 0.004 0.000 0.210 48 L C 2.043 178.972 176.870 0.098 0.000 1.076 48 L CA 1.124 55.994 54.840 0.051 0.000 0.749 48 L CB -0.445 41.623 42.059 0.014 0.000 0.893 48 L HN 0.157 nan 8.230 nan 0.000 0.432 49 D N -0.949 119.488 120.400 0.061 0.000 2.144 49 D HA -0.161 4.482 4.640 0.004 0.000 0.200 49 D C 2.367 178.721 176.300 0.091 0.000 0.978 49 D CA 1.338 55.376 54.000 0.063 0.000 0.833 49 D CB 0.095 40.914 40.800 0.032 0.000 0.961 49 D HN 0.118 nan 8.370 nan 0.000 0.470 50 S N -0.489 115.272 115.700 0.102 0.000 2.368 50 S HA -0.161 4.311 4.470 0.004 0.000 0.225 50 S C 1.739 176.468 174.600 0.215 0.000 1.030 50 S CA 0.563 58.841 58.200 0.130 0.000 0.999 50 S CB -0.339 62.927 63.200 0.110 0.000 0.844 50 S HN 0.178 nan 8.310 nan 0.000 0.459 51 F N 2.680 122.694 119.950 0.106 0.000 2.407 51 F HA 0.116 4.646 4.527 0.005 0.000 0.299 51 F C 1.913 177.814 175.800 0.169 0.000 1.097 51 F CA 0.943 59.048 58.000 0.174 0.000 1.422 51 F CB -0.216 38.866 39.000 0.136 0.000 1.067 51 F HN 0.268 nan 8.300 nan 0.000 0.539 52 N N -0.125 118.662 118.700 0.145 0.000 2.416 52 N HA -0.122 4.621 4.740 0.004 0.000 0.177 52 N C 1.666 177.199 175.510 0.040 0.000 1.036 52 N CA 0.573 53.657 53.050 0.057 0.000 0.901 52 N CB -0.211 38.331 38.487 0.091 0.000 0.976 52 N HN 0.338 nan 8.380 nan 0.000 0.444 53 Q N 0.103 119.947 119.800 0.073 0.000 2.187 53 Q HA 0.065 4.408 4.340 0.004 0.000 0.199 53 Q C 1.471 177.515 176.000 0.073 0.000 0.957 53 Q CA 0.712 56.575 55.803 0.099 0.000 0.857 53 Q CB -0.307 28.472 28.738 0.069 0.000 0.929 53 Q HN 0.281 nan 8.270 nan 0.000 0.453 54 F N -0.959 118.903 119.950 -0.148 0.000 2.456 54 F HA 0.033 4.563 4.527 0.004 0.000 0.298 54 F C 1.385 176.970 175.800 -0.359 0.000 1.104 54 F CA 0.595 58.449 58.000 -0.243 0.000 1.435 54 F CB 0.155 38.979 39.000 -0.292 0.000 1.078 54 F HN -0.059 nan 8.300 nan 0.000 0.546 55 V N -0.124 119.476 119.914 -0.523 0.000 2.575 55 V HA -0.110 4.013 4.120 0.004 0.000 0.242 55 V C 1.674 177.510 176.094 -0.430 0.000 1.045 55 V CA 1.743 63.686 62.300 -0.595 0.000 1.065 55 V CB -0.263 31.288 31.823 -0.454 0.000 0.717 55 V HN 0.139 nan 8.190 nan 0.000 0.467 56 D N -1.464 118.775 120.400 -0.268 0.000 2.249 56 D HA -0.035 4.608 4.640 0.004 0.000 0.205 56 D C 1.492 177.458 176.300 -0.557 0.000 0.962 56 D CA 1.283 55.072 54.000 -0.351 0.000 0.860 56 D CB 0.193 40.856 40.800 -0.230 0.000 0.955 56 D HN 0.551 nan 8.370 nan 0.000 0.505 57 Y N -0.508 119.671 120.300 -0.202 0.000 2.723 57 Y HA 0.111 4.663 4.550 0.004 0.000 0.272 57 Y C 2.316 178.109 175.900 -0.178 0.000 1.142 57 Y CA 0.349 58.354 58.100 -0.158 0.000 1.217 57 Y CB -0.077 38.325 38.460 -0.097 0.000 1.391 57 Y HN -0.195 nan 8.280 nan 0.000 0.479 58 T N 1.306 115.835 114.554 -0.041 0.000 2.904 58 T HA -0.116 4.237 4.350 0.004 0.000 0.267 58 T C 1.836 176.384 174.700 -0.254 0.000 1.059 58 T CA 1.168 63.223 62.100 -0.075 0.000 1.137 58 T CB -0.370 68.532 68.868 0.057 0.000 0.879 58 T HN 0.033 nan 8.240 nan 0.000 0.467 59 L N 1.449 122.349 121.223 -0.539 0.000 2.027 59 L HA -0.003 4.340 4.340 0.004 0.000 0.206 59 L C 2.535 179.148 176.870 -0.428 0.000 1.074 59 L CA 1.789 56.206 54.840 -0.705 0.000 0.745 59 L CB -1.007 40.495 42.059 -0.927 0.000 0.898 59 L HN 0.101 nan 8.230 nan 0.000 0.433 60 Q N -0.450 119.149 119.800 -0.335 0.000 2.197 60 Q HA -0.232 4.111 4.340 0.004 0.000 0.207 60 Q C 1.685 177.597 176.000 -0.146 0.000 0.984 60 Q CA 2.111 57.774 55.803 -0.232 0.000 0.869 60 Q CB -0.197 28.413 28.738 -0.214 0.000 0.906 60 Q HN 0.555 nan 8.270 nan 0.000 0.426 61 D N -1.009 119.323 120.400 -0.114 0.000 2.162 61 D HA -0.054 4.589 4.640 0.004 0.000 0.203 61 D C 1.367 177.660 176.300 -0.012 0.000 0.967 61 D CA 0.667 54.645 54.000 -0.037 0.000 0.840 61 D CB 0.031 40.828 40.800 -0.004 0.000 0.972 61 D HN 0.269 nan 8.370 nan 0.000 0.482 62 I N 0.363 120.910 120.570 -0.040 0.000 2.676 62 I HA -0.090 4.082 4.170 0.004 0.000 0.259 62 I C 1.906 177.982 176.117 -0.068 0.000 1.194 62 I CA 0.593 61.913 61.300 0.033 0.000 1.473 62 I CB -0.506 37.572 38.000 0.130 0.000 1.096 62 I HN 0.012 nan 8.210 nan 0.000 0.443 63 I N -0.214 120.223 120.570 -0.222 0.000 3.684 63 I HA -0.029 4.144 4.170 0.004 0.000 0.304 63 I C 0.265 176.404 176.117 0.038 0.000 1.278 63 I CA 0.621 61.700 61.300 -0.369 0.000 1.272 63 I CB 0.114 37.852 38.000 -0.437 0.000 1.029 63 I HN 0.117 nan 8.210 nan 0.000 0.458 64 C N 2.055 121.406 119.300 0.085 0.000 3.002 64 C HA 0.497 4.960 4.460 0.004 0.000 0.248 64 C C 0.904 175.974 174.990 0.134 0.000 1.153 64 C CA -0.494 58.605 59.018 0.135 0.000 1.502 64 C CB -0.555 27.230 27.740 0.076 0.000 1.805 64 C HN 0.563 nan 8.230 nan 0.000 0.450 65 E N 1.480 121.784 120.200 0.174 0.000 3.269 65 E HA -0.052 4.301 4.350 0.004 0.000 0.272 65 E C 0.556 177.227 176.600 0.118 0.000 1.191 65 E CA 0.611 57.086 56.400 0.125 0.000 1.940 65 E CB -0.715 29.050 29.700 0.108 0.000 2.232 65 E HN 0.492 nan 8.360 nan 0.000 0.979 66 D N 1.777 122.258 120.400 0.135 0.000 2.369 66 D HA 0.103 4.746 4.640 0.004 0.000 0.211 66 D C 1.480 177.879 176.300 0.165 0.000 1.077 66 D CA 0.854 54.918 54.000 0.107 0.000 0.842 66 D CB 0.587 41.419 40.800 0.055 0.000 0.947 66 D HN 0.124 nan 8.370 nan 0.000 0.509 67 S N 0.256 116.114 115.700 0.264 0.000 2.406 67 S HA -0.224 4.248 4.470 0.004 0.000 0.242 67 S C 1.175 175.976 174.600 0.334 0.000 1.079 67 S CA 1.887 60.360 58.200 0.454 0.000 1.133 67 S CB -1.043 62.436 63.200 0.465 0.000 1.005 67 S HN 0.462 nan 8.310 nan 0.000 0.443 68 T N 1.822 116.484 114.554 0.181 0.000 2.916 68 T HA 0.482 4.835 4.350 0.004 0.000 0.303 68 T C -0.232 174.520 174.700 0.086 0.000 1.025 68 T CA -0.178 61.972 62.100 0.083 0.000 1.142 68 T CB -0.029 68.878 68.868 0.065 0.000 0.947 68 T HN 0.334 nan 8.240 nan 0.000 0.544 69 L N 4.017 125.264 121.223 0.041 0.000 2.216 69 L HA 0.682 5.025 4.340 0.004 0.000 0.260 69 L C -0.267 176.622 176.870 0.032 0.000 1.036 69 L CA -1.451 53.438 54.840 0.082 0.000 0.914 69 L CB 1.100 43.203 42.059 0.073 0.000 1.501 69 L HN 0.410 nan 8.230 nan 0.000 0.485 90 I N 3.000 123.496 120.570 -0.123 0.000 8.182 90 I HA -0.140 4.033 4.170 0.004 0.000 0.126 90 I C -0.413 175.510 176.117 -0.324 0.000 1.835 90 I CA 1.294 62.471 61.300 -0.206 0.000 2.072 90 I CB -2.241 35.637 38.000 -0.202 0.000 3.753 90 I HN 0.522 nan 8.210 nan 0.000 0.180 91 S N 6.025 121.534 115.700 -0.319 0.000 2.526 91 S HA 0.852 5.325 4.470 0.004 0.000 0.293 91 S C -0.652 173.771 174.600 -0.296 0.000 1.092 91 S CA -0.894 57.131 58.200 -0.292 0.000 0.980 91 S CB 2.251 65.401 63.200 -0.084 0.000 1.048 91 S HN 0.235 nan 8.310 nan 0.000 0.483 92 F N 1.631 121.643 119.950 0.103 0.000 2.396 92 F HA 0.657 5.187 4.527 0.005 0.000 0.343 92 F C 1.363 177.208 175.800 0.075 0.000 1.104 92 F CA -0.002 58.064 58.000 0.110 0.000 1.161 92 F CB 1.281 40.384 39.000 0.170 0.000 1.146 92 F HN 0.947 nan 8.300 nan 0.000 0.522 93 G N 1.830 110.779 108.800 0.249 0.000 3.392 93 G HA2 0.233 4.196 3.960 0.004 0.000 0.188 93 G HA3 0.233 4.196 3.960 0.004 0.000 0.188 93 G C -0.791 174.157 174.900 0.080 0.000 1.485 93 G CA -0.618 44.563 45.100 0.135 0.000 0.943 93 G HN 0.469 nan 8.290 nan 0.000 0.627 94 K N -0.086 120.337 120.400 0.039 0.000 2.237 94 K HA 0.437 4.760 4.320 0.004 0.000 0.270 94 K C -1.050 175.495 176.600 -0.092 0.000 1.015 94 K CA -0.264 55.969 56.287 -0.091 0.000 0.949 94 K CB 0.895 33.291 32.500 -0.173 0.000 0.976 94 K HN 0.256 nan 8.250 nan 0.000 0.472 95 I N 3.775 124.208 120.570 -0.228 0.000 2.433 95 I HA 0.244 4.417 4.170 0.004 0.000 0.292 95 I C -1.527 174.439 176.117 -0.252 0.000 1.001 95 I CA -0.774 60.436 61.300 -0.151 0.000 1.119 95 I CB 0.767 38.663 38.000 -0.174 0.000 1.289 95 I HN 0.591 nan 8.210 nan 0.000 0.438 96 Y N 6.210 126.530 120.300 0.033 0.000 2.341 96 Y HA 0.478 5.030 4.550 0.004 0.000 0.338 96 Y C -0.195 175.759 175.900 0.090 0.000 0.965 96 Y CA -0.837 57.296 58.100 0.055 0.000 1.108 96 Y CB 1.885 40.408 38.460 0.106 0.000 1.180 96 Y HN 0.281 nan 8.280 nan 0.000 0.458 97 V N 0.480 120.490 119.914 0.159 0.000 2.439 97 V HA 0.614 4.737 4.120 0.004 0.000 0.282 97 V C 0.024 176.201 176.094 0.138 0.000 1.039 97 V CA -0.804 61.560 62.300 0.107 0.000 0.913 97 V CB 0.882 32.696 31.823 -0.015 0.000 0.983 97 V HN 0.773 nan 8.190 nan 0.000 0.460 98 T N 3.003 117.652 114.554 0.157 0.000 2.899 98 T HA 0.372 4.724 4.350 0.004 0.000 0.284 98 T C 0.043 174.754 174.700 0.018 0.000 1.004 98 T CA -0.849 61.325 62.100 0.123 0.000 1.043 98 T CB 0.824 69.807 68.868 0.192 0.000 1.013 98 T HN 0.656 nan 8.240 nan 0.000 0.518 99 K N 2.396 122.787 120.400 -0.015 0.000 2.412 99 K HA 0.186 4.508 4.320 0.004 0.000 0.281 99 K C -2.440 174.124 176.600 -0.059 0.000 1.027 99 K CA -1.758 54.444 56.287 -0.141 0.000 0.989 99 K CB 0.238 32.679 32.500 -0.097 0.000 0.935 99 K HN 0.358 nan 8.250 nan 0.000 0.475 100 P HA -0.079 nan 4.420 nan 0.000 0.263 100 P C -0.336 177.004 177.300 0.067 0.000 1.175 100 P CA 0.740 63.769 63.100 -0.118 0.000 0.761 100 P CB 0.370 31.800 31.700 -0.450 0.000 0.794 101 M N 0.725 120.356 119.600 0.052 0.000 2.716 101 M HA 0.776 5.259 4.480 0.004 0.000 0.278 101 M C -1.400 174.943 176.300 0.071 0.000 1.281 101 M CA -1.165 54.181 55.300 0.075 0.000 0.814 101 M CB 1.862 34.503 32.600 0.070 0.000 1.719 101 M HN -0.113 nan 8.290 nan 0.000 0.457 102 V N 0.364 120.324 119.914 0.077 0.000 3.040 102 V HA 0.604 4.727 4.120 0.004 0.000 0.312 102 V C -1.350 174.773 176.094 0.049 0.000 1.115 102 V CA -0.650 61.686 62.300 0.060 0.000 0.998 102 V CB 2.135 33.988 31.823 0.049 0.000 1.042 102 V HN 0.928 nan 8.190 nan 0.000 0.433 103 N N 2.151 120.869 118.700 0.031 0.000 2.617 103 N HA 0.293 5.036 4.740 0.004 0.000 0.263 103 N C -0.720 174.801 175.510 0.020 0.000 1.074 103 N CA -0.510 52.552 53.050 0.021 0.000 0.841 103 N CB 1.082 39.566 38.487 -0.005 0.000 1.221 103 N HN 0.876 nan 8.380 nan 0.000 0.529 104 E N 1.124 121.338 120.200 0.024 0.000 2.194 104 E HA 0.260 4.613 4.350 0.004 0.000 0.284 104 E C -0.450 176.159 176.600 0.015 0.000 1.035 104 E CA -0.717 55.693 56.400 0.016 0.000 0.836 104 E CB 0.572 30.280 29.700 0.013 0.000 1.070 104 E HN 0.490 nan 8.360 nan 0.000 0.401 105 S N 2.838 118.543 115.700 0.009 0.000 2.593 105 S HA -0.094 4.379 4.470 0.004 0.000 0.300 105 S C 0.173 174.778 174.600 0.009 0.000 1.267 105 S CA 0.049 58.253 58.200 0.007 0.000 1.065 105 S CB 0.113 63.313 63.200 -0.001 0.000 0.807 105 S HN 0.764 nan 8.310 nan 0.000 0.499 106 D N 0.918 121.323 120.400 0.009 0.000 3.038 106 D HA 0.030 4.673 4.640 0.004 0.000 0.229 106 D C 0.207 176.517 176.300 0.017 0.000 1.182 106 D CA 2.053 56.060 54.000 0.011 0.000 0.852 106 D CB -1.195 39.611 40.800 0.009 0.000 0.932 106 D HN 1.180 nan 8.370 nan 0.000 0.406 107 G N -1.437 107.374 108.800 0.018 0.000 2.342 107 G HA2 0.497 4.460 3.960 0.004 0.000 0.297 107 G HA3 0.497 4.460 3.960 0.004 0.000 0.297 107 G C -0.329 174.588 174.900 0.028 0.000 1.313 107 G CA -0.239 44.878 45.100 0.028 0.000 0.830 107 G HN 0.548 nan 8.290 nan 0.000 0.506 108 V N -0.933 119.006 119.914 0.041 0.000 3.403 108 V HA 0.671 4.793 4.120 0.004 0.000 0.305 108 V C 0.791 176.912 176.094 0.044 0.000 1.060 108 V CA -0.528 61.791 62.300 0.033 0.000 1.053 108 V CB 1.293 33.131 31.823 0.026 0.000 1.198 108 V HN 0.731 nan 8.190 nan 0.000 0.447 109 T N 0.411 114.979 114.554 0.024 0.000 2.744 109 T HA 0.390 4.742 4.350 0.004 0.000 0.291 109 T C -0.584 174.142 174.700 0.044 0.000 0.957 109 T CA 0.176 62.296 62.100 0.034 0.000 1.002 109 T CB -0.134 68.734 68.868 0.001 0.000 0.919 109 T HN 0.799 nan 8.240 nan 0.000 0.468 110 H N 1.352 120.417 119.070 -0.010 0.000 2.533 110 H HA 0.633 5.192 4.556 0.005 0.000 0.343 110 H C -0.232 175.071 175.328 -0.043 0.000 1.160 110 H CA -0.660 55.378 56.048 -0.018 0.000 1.218 110 H CB 1.028 30.787 29.762 -0.005 0.000 1.566 110 H HN 0.714 nan 8.280 nan 0.000 0.522 111 A N 4.553 127.354 122.820 -0.032 0.000 2.343 111 A HA 0.295 4.618 4.320 0.004 0.000 0.305 111 A C -0.871 176.571 177.584 -0.236 0.000 1.308 111 A CA -0.451 51.510 52.037 -0.127 0.000 0.949 111 A CB -0.518 18.325 19.000 -0.262 0.000 1.148 111 A HN 0.552 nan 8.150 nan 0.000 0.545 112 L N 3.451 124.606 121.223 -0.113 0.000 2.349 112 L HA 0.513 4.856 4.340 0.004 0.000 0.275 112 L C -0.863 175.939 176.870 -0.114 0.000 1.115 112 L CA 0.164 54.986 54.840 -0.029 0.000 0.820 112 L CB 0.091 42.240 42.059 0.150 0.000 1.135 112 L HN 0.605 nan 8.230 nan 0.000 0.445 113 Y N 5.939 126.345 120.300 0.175 0.000 2.446 113 Y HA 0.411 4.964 4.550 0.004 0.000 0.338 113 Y C -1.397 174.475 175.900 -0.047 0.000 1.055 113 Y CA -1.653 56.504 58.100 0.095 0.000 1.101 113 Y CB 1.092 39.539 38.460 -0.022 0.000 1.221 113 Y HN 0.563 nan 8.280 nan 0.000 0.460 114 P HA -0.322 nan 4.420 nan 0.000 0.216 114 P C 1.314 178.576 177.300 -0.063 0.000 1.167 114 P CA 1.796 64.705 63.100 -0.319 0.000 0.933 114 P CB 0.366 31.893 31.700 -0.289 0.000 0.793 115 Q N 0.160 119.961 119.800 0.003 0.000 2.152 115 Q HA -0.213 4.130 4.340 0.004 0.000 0.206 115 Q C 2.289 178.321 176.000 0.053 0.000 0.985 115 Q CA 2.029 57.848 55.803 0.026 0.000 0.863 115 Q CB -0.957 27.787 28.738 0.010 0.000 0.904 115 Q HN 0.378 nan 8.270 nan 0.000 0.422 116 E N -1.183 119.064 120.200 0.079 0.000 2.077 116 E HA -0.189 4.164 4.350 0.004 0.000 0.193 116 E C 1.762 178.410 176.600 0.080 0.000 0.989 116 E CA 1.015 57.462 56.400 0.078 0.000 0.800 116 E CB -0.245 29.503 29.700 0.080 0.000 0.746 116 E HN 0.433 nan 8.360 nan 0.000 0.452 117 A N 1.405 124.277 122.820 0.087 0.000 1.908 117 A HA -0.211 4.112 4.320 0.004 0.000 0.218 117 A C 2.131 179.774 177.584 0.098 0.000 1.181 117 A CA 1.625 53.723 52.037 0.102 0.000 0.627 117 A CB -0.539 18.543 19.000 0.136 0.000 0.818 117 A HN 0.199 nan 8.150 nan 0.000 0.445 118 R N -0.939 119.616 120.500 0.092 0.000 2.237 118 R HA 0.056 4.399 4.340 0.004 0.000 0.219 118 R C 1.717 178.089 176.300 0.121 0.000 1.080 118 R CA 1.009 57.170 56.100 0.102 0.000 0.995 118 R CB -0.317 30.038 30.300 0.091 0.000 0.875 118 R HN 0.522 nan 8.270 nan 0.000 0.462 119 L N 0.269 121.567 121.223 0.125 0.000 2.200 119 L HA 0.023 4.366 4.340 0.004 0.000 0.200 119 L C 1.626 178.664 176.870 0.281 0.000 1.072 119 L CA 0.660 55.593 54.840 0.154 0.000 0.787 119 L CB 0.031 42.153 42.059 0.104 0.000 0.957 119 L HN 0.069 nan 8.230 nan 0.000 0.459 120 R N 0.110 120.751 120.500 0.235 0.000 2.721 120 R HA 0.196 4.539 4.340 0.004 0.000 0.296 120 R C -0.213 176.076 176.300 -0.018 0.000 1.174 120 R CA -0.093 56.173 56.100 0.277 0.000 1.129 120 R CB -0.923 29.480 30.300 0.172 0.000 1.316 120 R HN 0.258 nan 8.270 nan 0.000 0.571 121 N N 0.891 119.617 118.700 0.043 0.000 2.701 121 N HA -0.195 4.548 4.740 0.004 0.000 0.250 121 N C -0.442 175.032 175.510 -0.060 0.000 1.046 121 N CA 0.129 53.147 53.050 -0.053 0.000 0.733 121 N CB -0.556 37.796 38.487 -0.225 0.000 0.973 121 N HN 0.381 nan 8.380 nan 0.000 0.541 122 L N -0.845 120.381 121.223 0.005 0.000 2.567 122 L HA 0.421 4.763 4.340 0.004 0.000 0.238 122 L C 0.924 177.844 176.870 0.083 0.000 1.168 122 L CA -0.261 54.597 54.840 0.030 0.000 0.817 122 L CB 0.798 42.886 42.059 0.048 0.000 1.409 122 L HN -0.039 nan 8.230 nan 0.000 0.502 123 T N -0.613 114.006 114.554 0.109 0.000 2.847 123 T HA 0.179 4.531 4.350 0.004 0.000 0.291 123 T C -0.749 174.079 174.700 0.213 0.000 0.998 123 T CA -0.236 61.956 62.100 0.153 0.000 0.967 123 T CB 0.344 69.282 68.868 0.116 0.000 0.954 123 T HN 0.252 nan 8.240 nan 0.000 0.441 124 Y N 4.923 125.289 120.300 0.108 0.000 2.518 124 Y HA 0.369 4.922 4.550 0.005 0.000 0.337 124 Y C 0.568 176.544 175.900 0.126 0.000 1.261 124 Y CA -0.685 57.483 58.100 0.112 0.000 1.856 124 Y CB -0.720 37.804 38.460 0.106 0.000 1.798 124 Y HN 0.549 nan 8.280 nan 0.000 0.440 125 S N 1.947 117.641 115.700 -0.009 0.000 2.568 125 S HA 0.858 5.331 4.470 0.004 0.000 0.293 125 S C -0.583 173.985 174.600 -0.053 0.000 1.089 125 S CA -0.624 57.562 58.200 -0.024 0.000 0.945 125 S CB 1.565 64.809 63.200 0.074 0.000 1.077 125 S HN 0.423 nan 8.310 nan 0.000 0.485 126 S N 1.284 116.965 115.700 -0.031 0.000 2.681 126 S HA 0.848 5.320 4.470 0.004 0.000 0.299 126 S C 0.384 175.026 174.600 0.070 0.000 1.113 126 S CA -0.739 57.466 58.200 0.008 0.000 1.013 126 S CB 0.991 64.179 63.200 -0.020 0.000 1.076 126 S HN 1.234 nan 8.310 nan 0.000 0.534 127 G N 0.724 109.590 108.800 0.112 0.000 2.420 127 G HA2 0.530 4.493 3.960 0.004 0.000 0.284 127 G HA3 0.530 4.493 3.960 0.004 0.000 0.284 127 G C -0.643 174.228 174.900 -0.050 0.000 1.177 127 G CA -0.699 44.468 45.100 0.111 0.000 0.841 127 G HN 0.503 nan 8.290 nan 0.000 0.527 128 L N 0.964 122.071 121.223 -0.193 0.000 2.325 128 L HA 0.577 4.919 4.340 0.004 0.000 0.279 128 L C -0.621 175.989 176.870 -0.432 0.000 1.054 128 L CA -0.426 54.301 54.840 -0.189 0.000 0.804 128 L CB 0.804 42.793 42.059 -0.117 0.000 1.200 128 L HN 0.377 nan 8.230 nan 0.000 0.436 129 F N 1.117 121.171 119.950 0.174 0.000 2.569 129 F HA 0.637 5.166 4.527 0.004 0.000 0.312 129 F C -0.062 175.855 175.800 0.195 0.000 1.109 129 F CA -0.862 57.260 58.000 0.202 0.000 0.919 129 F CB 2.292 41.414 39.000 0.203 0.000 1.211 129 F HN 0.040 nan 8.300 nan 0.000 0.446 130 V N 0.941 121.066 119.914 0.352 0.000 2.735 130 V HA 0.353 4.476 4.120 0.004 0.000 0.310 130 V C -1.095 175.186 176.094 0.310 0.000 1.061 130 V CA -1.052 61.416 62.300 0.280 0.000 0.913 130 V CB 2.097 34.053 31.823 0.223 0.000 1.005 130 V HN 0.531 nan 8.190 nan 0.000 0.428 131 D N 2.628 123.194 120.400 0.278 0.000 2.435 131 D HA 0.298 4.941 4.640 0.004 0.000 0.230 131 D C -0.180 176.241 176.300 0.202 0.000 1.215 131 D CA 0.152 54.288 54.000 0.226 0.000 0.947 131 D CB 0.985 41.907 40.800 0.202 0.000 1.048 131 D HN 0.278 nan 8.370 nan 0.000 0.512 132 V N 3.947 123.976 119.914 0.191 0.000 2.405 132 V HA 0.068 4.191 4.120 0.004 0.000 0.264 132 V C 0.805 176.913 176.094 0.024 0.000 1.048 132 V CA -0.479 61.883 62.300 0.104 0.000 0.966 132 V CB 0.325 32.218 31.823 0.117 0.000 1.015 132 V HN 0.297 nan 8.190 nan 0.000 0.477 133 K N 4.537 124.922 120.400 -0.025 0.000 2.202 133 K HA 0.358 4.681 4.320 0.004 0.000 0.264 133 K C 0.274 176.847 176.600 -0.045 0.000 1.010 133 K CA -0.781 55.493 56.287 -0.021 0.000 0.940 133 K CB 0.832 33.322 32.500 -0.017 0.000 0.983 133 K HN 0.460 nan 8.250 nan 0.000 0.475 165 V N 2.577 122.692 119.914 0.335 0.000 2.531 165 V HA 0.385 4.508 4.120 0.004 0.000 0.301 165 V C -0.986 175.417 176.094 0.514 0.000 1.034 165 V CA -0.774 61.752 62.300 0.376 0.000 0.865 165 V CB 1.374 33.362 31.823 0.275 0.000 0.995 165 V HN 0.189 nan 8.190 nan 0.000 0.424 166 F N 7.039 127.170 119.950 0.302 0.000 2.404 166 F HA 0.550 5.080 4.527 0.004 0.000 0.359 166 F C -0.161 175.605 175.800 -0.056 0.000 1.134 166 F CA -0.972 57.063 58.000 0.059 0.000 1.160 166 F CB 0.397 39.484 39.000 0.145 0.000 1.186 166 F HN 0.249 nan 8.300 nan 0.000 0.526 167 I N 6.977 127.152 120.570 -0.658 0.000 2.428 167 I HA 0.431 4.604 4.170 0.004 0.000 0.279 167 I C 0.599 176.227 176.117 -0.815 0.000 1.040 167 I CA -0.261 60.655 61.300 -0.639 0.000 1.171 167 I CB 0.151 37.997 38.000 -0.257 0.000 1.312 167 I HN 0.781 nan 8.210 nan 0.000 0.470 168 G N 6.427 114.549 108.800 -1.130 0.000 2.828 168 G HA2 -0.199 3.764 3.960 0.004 0.000 0.463 168 G HA3 -0.199 3.764 3.960 0.004 0.000 0.463 168 G C -0.377 174.333 174.900 -0.316 0.000 1.394 168 G CA -0.815 43.954 45.100 -0.552 0.000 0.862 168 G HN 0.604 nan 8.290 nan 0.000 0.540 169 R N -0.659 119.803 120.500 -0.063 0.000 2.483 169 R HA 0.437 4.779 4.340 0.004 0.000 0.303 169 R C -0.755 175.595 176.300 0.084 0.000 0.987 169 R CA -0.874 55.262 56.100 0.061 0.000 0.881 169 R CB 1.734 32.108 30.300 0.124 0.000 1.177 169 R HN 0.674 nan 8.270 nan 0.000 0.451 170 L N 5.142 126.428 121.223 0.106 0.000 2.265 170 L HA 0.466 4.809 4.340 0.004 0.000 0.288 170 L C -2.442 174.528 176.870 0.167 0.000 1.058 170 L CA -1.606 53.331 54.840 0.163 0.000 0.809 170 L CB 1.071 43.236 42.059 0.176 0.000 1.179 170 L HN 0.356 nan 8.230 nan 0.000 0.429 171 P HA 0.054 nan 4.420 nan 0.000 0.266 171 P C -0.902 176.615 177.300 0.361 0.000 1.195 171 P CA 0.222 63.442 63.100 0.200 0.000 0.768 171 P CB 0.356 32.111 31.700 0.092 0.000 0.838 172 I N 3.540 124.269 120.570 0.265 0.000 2.412 172 I HA 0.323 4.495 4.170 0.004 0.000 0.296 172 I C 0.507 176.583 176.117 -0.070 0.000 0.987 172 I CA -0.809 60.582 61.300 0.152 0.000 1.180 172 I CB 1.253 39.181 38.000 -0.118 0.000 1.340 172 I HN 0.405 nan 8.210 nan 0.000 0.455 173 M N 6.349 125.461 119.600 -0.812 0.000 2.184 173 M HA 0.240 4.722 4.480 0.004 0.000 0.351 173 M C -0.973 175.000 176.300 -0.544 0.000 1.395 173 M CA -0.582 53.989 55.300 -1.215 0.000 1.117 173 M CB 0.440 32.039 32.600 -1.668 0.000 1.708 173 M HN 0.289 nan 8.290 nan 0.000 0.468 174 L N 6.027 126.941 121.223 -0.516 0.000 2.490 174 L HA 0.119 4.462 4.340 0.004 0.000 0.274 174 L C 1.011 177.710 176.870 -0.285 0.000 1.201 174 L CA 0.866 55.503 54.840 -0.338 0.000 0.869 174 L CB 0.223 41.904 42.059 -0.629 0.000 1.123 174 L HN 0.942 nan 8.230 nan 0.000 0.484 175 R N -0.561 119.867 120.500 -0.120 0.000 3.408 175 R HA -0.158 4.185 4.340 0.004 0.000 0.494 175 R C 0.687 176.968 176.300 -0.032 0.000 0.800 175 R CA 1.054 57.111 56.100 -0.071 0.000 1.331 175 R CB -1.853 28.390 30.300 -0.094 0.000 2.035 175 R HN 0.912 nan 8.270 nan 0.000 0.464 176 S N -0.756 114.934 115.700 -0.017 0.000 2.305 176 S HA 0.235 4.708 4.470 0.004 0.000 0.239 176 S C 1.229 175.871 174.600 0.069 0.000 1.259 176 S CA 0.062 58.303 58.200 0.068 0.000 0.998 176 S CB 0.378 63.703 63.200 0.208 0.000 0.967 176 S HN 0.261 nan 8.310 nan 0.000 0.469 177 K N 0.390 120.848 120.400 0.096 0.000 2.098 177 K HA 0.123 4.445 4.320 0.004 0.000 0.203 177 K C 1.874 178.482 176.600 0.012 0.000 1.051 177 K CA 0.924 57.238 56.287 0.045 0.000 0.957 177 K CB -0.446 32.074 32.500 0.032 0.000 0.738 177 K HN 0.428 nan 8.250 nan 0.000 0.447 178 N N 0.358 119.073 118.700 0.025 0.000 2.457 178 N HA -0.064 4.679 4.740 0.004 0.000 0.180 178 N C 0.342 175.752 175.510 -0.167 0.000 1.050 178 N CA 0.284 53.299 53.050 -0.058 0.000 0.906 178 N CB 0.057 38.533 38.487 -0.019 0.000 0.968 178 N HN 0.118 nan 8.380 nan 0.000 0.445 179 C N 0.144 119.408 119.300 -0.061 0.000 2.536 179 C HA 0.152 4.615 4.460 0.004 0.000 0.396 179 C C 1.595 176.585 174.990 -0.000 0.000 1.279 179 C CA -0.706 58.315 59.018 0.005 0.000 2.148 179 C CB -0.734 27.091 27.740 0.141 0.000 2.584 179 C HN 0.489 nan 8.230 nan 0.000 0.579 180 Y N 3.001 123.451 120.300 0.250 0.000 2.242 180 Y HA -0.055 4.498 4.550 0.005 0.000 0.291 180 Y C 2.198 178.177 175.900 0.132 0.000 1.137 180 Y CA 1.420 59.651 58.100 0.218 0.000 1.181 180 Y CB -0.359 38.330 38.460 0.381 0.000 0.989 180 Y HN 0.610 nan 8.280 nan 0.000 0.527 181 L N -0.076 121.301 121.223 0.257 0.000 2.189 181 L HA -0.251 4.092 4.340 0.004 0.000 0.214 181 L C 2.352 179.260 176.870 0.063 0.000 1.097 181 L CA 1.695 56.600 54.840 0.109 0.000 0.764 181 L CB -1.087 40.995 42.059 0.040 0.000 0.900 181 L HN 0.343 nan 8.230 nan 0.000 0.436 182 S N -0.614 115.125 115.700 0.066 0.000 2.595 182 S HA -0.131 4.342 4.470 0.004 0.000 0.235 182 S C 1.227 175.850 174.600 0.038 0.000 0.974 182 S CA 0.940 59.161 58.200 0.036 0.000 0.942 182 S CB -0.146 63.072 63.200 0.031 0.000 0.766 182 S HN 0.534 nan 8.310 nan 0.000 0.536 183 E N 0.565 120.800 120.200 0.057 0.000 2.562 183 E HA 0.497 4.850 4.350 0.004 0.000 0.214 183 E C 0.256 176.878 176.600 0.037 0.000 0.979 183 E CA 0.208 56.637 56.400 0.049 0.000 1.002 183 E CB 1.025 30.765 29.700 0.067 0.000 1.048 183 E HN 0.577 nan 8.360 nan 0.000 0.488 184 A N 1.299 124.136 122.820 0.028 0.000 2.310 184 A HA 0.502 4.825 4.320 0.004 0.000 0.299 184 A C 0.532 178.105 177.584 -0.018 0.000 1.147 184 A CA -0.583 51.459 52.037 0.008 0.000 0.818 184 A CB 0.206 19.206 19.000 0.001 0.000 1.096 184 A HN 0.139 nan 8.150 nan 0.000 0.495 185 T N -0.190 114.353 114.554 -0.019 0.000 2.849 185 T HA 0.272 4.625 4.350 0.004 0.000 0.284 185 T C 0.993 175.667 174.700 -0.044 0.000 1.004 185 T CA -0.027 62.059 62.100 -0.025 0.000 1.021 185 T CB 1.107 69.970 68.868 -0.009 0.000 1.013 185 T HN 0.733 nan 8.240 nan 0.000 0.527 186 E N 0.723 120.897 120.200 -0.043 0.000 2.021 186 E HA -0.242 4.111 4.350 0.004 0.000 0.200 186 E C 2.386 179.000 176.600 0.023 0.000 1.015 186 E CA 1.963 58.328 56.400 -0.057 0.000 0.824 186 E CB -0.334 29.361 29.700 -0.008 0.000 0.762 186 E HN 0.837 nan 8.360 nan 0.000 0.454 187 S N 0.979 116.739 115.700 0.100 0.000 2.380 187 S HA -0.259 4.214 4.470 0.004 0.000 0.229 187 S C 1.696 176.351 174.600 0.091 0.000 1.043 187 S CA 1.725 60.013 58.200 0.146 0.000 1.038 187 S CB -0.558 62.678 63.200 0.060 0.000 0.872 187 S HN 0.267 nan 8.310 nan 0.000 0.456 188 D N 1.578 121.987 120.400 0.014 0.000 2.104 188 D HA -0.045 4.597 4.640 0.004 0.000 0.194 188 D C 1.998 178.262 176.300 -0.060 0.000 0.994 188 D CA 1.332 55.316 54.000 -0.026 0.000 0.830 188 D CB -0.298 40.481 40.800 -0.036 0.000 0.959 188 D HN 0.391 nan 8.370 nan 0.000 0.452 189 L N -0.223 120.934 121.223 -0.109 0.000 2.093 189 L HA -0.197 4.146 4.340 0.004 0.000 0.208 189 L C 2.495 179.255 176.870 -0.183 0.000 1.085 189 L CA 0.898 55.626 54.840 -0.186 0.000 0.755 189 L CB -0.441 41.453 42.059 -0.276 0.000 0.904 189 L HN 0.116 nan 8.230 nan 0.000 0.435 190 Y N 0.347 120.601 120.300 -0.076 0.000 2.165 190 Y HA -0.314 4.239 4.550 0.004 0.000 0.286 190 Y C 2.590 178.439 175.900 -0.086 0.000 1.155 190 Y CA 1.389 59.443 58.100 -0.077 0.000 1.164 190 Y CB -0.220 38.197 38.460 -0.071 0.000 0.978 190 Y HN 0.089 nan 8.280 nan 0.000 0.513 191 K N 0.032 120.469 120.400 0.063 0.000 2.147 191 K HA -0.147 4.176 4.320 0.004 0.000 0.205 191 K C 1.633 178.188 176.600 -0.076 0.000 1.049 191 K CA 1.309 57.587 56.287 -0.015 0.000 0.936 191 K CB -0.317 32.162 32.500 -0.035 0.000 0.722 191 K HN 0.313 nan 8.250 nan 0.000 0.446 192 L N 0.724 121.873 121.223 -0.123 0.000 2.552 192 L HA 0.009 4.351 4.340 0.004 0.000 0.227 192 L C 0.184 176.987 176.870 -0.113 0.000 1.146 192 L CA 0.472 55.199 54.840 -0.188 0.000 0.858 192 L CB -0.245 41.660 42.059 -0.256 0.000 0.969 192 L HN 0.127 nan 8.230 nan 0.000 0.451 193 K N 0.076 120.434 120.400 -0.070 0.000 3.251 193 K HA -0.140 4.182 4.320 0.004 0.000 0.282 193 K C -0.342 176.221 176.600 -0.061 0.000 1.201 193 K CA 0.404 56.663 56.287 -0.047 0.000 0.827 193 K CB -1.074 31.403 32.500 -0.038 0.000 1.286 193 K HN 0.221 nan 8.250 nan 0.000 0.503 194 E N 0.472 120.614 120.200 -0.097 0.000 2.210 194 E HA 0.143 4.496 4.350 0.004 0.000 0.266 194 E C -0.558 175.949 176.600 -0.155 0.000 0.883 194 E CA -0.632 55.711 56.400 -0.095 0.000 0.761 194 E CB 1.939 31.588 29.700 -0.086 0.000 1.156 194 E HN 0.272 nan 8.360 nan 0.000 0.412 195 C N 5.990 125.232 119.300 -0.097 0.000 2.590 195 C HA 0.059 4.522 4.460 0.004 0.000 0.411 195 C C -0.644 174.267 174.990 -0.132 0.000 1.420 195 C CA -1.207 57.752 59.018 -0.097 0.000 1.643 195 C CB -0.187 27.551 27.740 -0.004 0.000 2.528 195 C HN 0.577 nan 8.230 nan 0.000 0.606 196 P HA -0.115 nan 4.420 nan 0.000 0.221 196 P C 1.062 178.192 177.300 -0.282 0.000 1.145 196 P CA 1.705 64.601 63.100 -0.340 0.000 0.795 196 P CB -0.045 31.360 31.700 -0.491 0.000 0.775 197 F N 0.397 120.269 119.950 -0.130 0.000 2.335 197 F HA 0.061 4.591 4.527 0.005 0.000 0.296 197 F C 1.193 177.041 175.800 0.081 0.000 1.091 197 F CA 0.056 58.011 58.000 -0.075 0.000 1.399 197 F CB -1.075 37.773 39.000 -0.252 0.000 1.067 197 F HN -0.104 nan 8.300 nan 0.000 0.520 198 D N 1.148 121.698 120.400 0.251 0.000 2.583 198 D HA -0.104 4.539 4.640 0.004 0.000 0.232 198 D C 1.228 177.635 176.300 0.179 0.000 1.128 198 D CA 0.371 54.515 54.000 0.239 0.000 0.859 198 D CB 0.571 41.481 40.800 0.183 0.000 1.169 198 D HN 0.093 nan 8.370 nan 0.000 0.481 199 M N 2.333 122.055 119.600 0.204 0.000 2.331 199 M HA 0.300 4.783 4.480 0.004 0.000 0.266 199 M C 1.037 177.391 176.300 0.091 0.000 1.055 199 M CA 0.677 56.053 55.300 0.127 0.000 1.048 199 M CB -0.791 31.882 32.600 0.121 0.000 1.460 199 M HN 0.493 nan 8.290 nan 0.000 0.519 200 G N 1.498 110.412 108.800 0.191 0.000 2.552 200 G HA2 -0.021 3.941 3.960 0.004 0.000 0.265 200 G HA3 -0.021 3.941 3.960 0.004 0.000 0.265 200 G C 0.718 175.645 174.900 0.044 0.000 1.234 200 G CA 0.993 46.091 45.100 -0.004 0.000 0.944 200 G HN 1.693 nan 8.290 nan 0.000 0.568 201 G N -2.437 106.229 108.800 -0.224 0.000 2.147 201 G HA2 0.191 4.154 3.960 0.004 0.000 0.244 201 G HA3 0.191 4.154 3.960 0.004 0.000 0.244 201 G C 0.218 175.016 174.900 -0.170 0.000 1.005 201 G CA 1.697 46.682 45.100 -0.192 0.000 0.713 201 G HN 2.343 nan 8.290 nan 0.000 0.515 202 Y N -2.471 117.621 120.300 -0.347 0.000 2.662 202 Y HA 0.847 5.399 4.550 0.005 0.000 0.335 202 Y C -0.144 175.440 175.900 -0.526 0.000 1.066 202 Y CA -2.602 55.302 58.100 -0.327 0.000 1.116 202 Y CB 0.980 39.380 38.460 -0.099 0.000 1.308 202 Y HN -0.033 nan 8.280 nan 0.000 0.502 203 F N 1.014 121.049 119.950 0.141 0.000 2.470 203 F HA 0.629 5.158 4.527 0.004 0.000 0.329 203 F C -0.361 175.561 175.800 0.203 0.000 1.072 203 F CA -0.991 57.057 58.000 0.080 0.000 0.989 203 F CB 1.628 40.663 39.000 0.058 0.000 1.193 203 F HN 0.259 nan 8.300 nan 0.000 0.481 204 I N 4.466 125.254 120.570 0.364 0.000 2.355 204 I HA 0.345 4.518 4.170 0.004 0.000 0.288 204 I C -0.994 175.278 176.117 0.257 0.000 0.999 204 I CA -0.468 61.008 61.300 0.295 0.000 1.163 204 I CB 0.996 39.136 38.000 0.234 0.000 1.316 204 I HN 0.243 nan 8.210 nan 0.000 0.454 205 I N 6.141 126.831 120.570 0.199 0.000 2.466 205 I HA 0.237 4.409 4.170 0.004 0.000 0.289 205 I C 0.081 176.262 176.117 0.106 0.000 1.026 205 I CA -0.772 60.614 61.300 0.145 0.000 1.078 205 I CB 1.360 39.434 38.000 0.122 0.000 1.249 205 I HN 0.664 nan 8.210 nan 0.000 0.429 206 N N 5.068 123.817 118.700 0.082 0.000 2.698 206 N HA -0.261 4.482 4.740 0.004 0.000 0.258 206 N C 1.146 176.695 175.510 0.065 0.000 0.978 206 N CA 0.984 54.063 53.050 0.049 0.000 0.777 206 N CB -0.953 37.551 38.487 0.029 0.000 0.907 206 N HN 1.185 nan 8.380 nan 0.000 0.543 207 G N -1.088 107.765 108.800 0.089 0.000 2.396 207 G HA2 -0.389 3.573 3.960 0.004 0.000 0.242 207 G HA3 -0.389 3.573 3.960 0.004 0.000 0.242 207 G C 0.154 175.114 174.900 0.101 0.000 1.069 207 G CA 0.780 45.941 45.100 0.101 0.000 0.633 207 G HN 1.324 nan 8.290 nan 0.000 0.517 208 S N 0.790 116.544 115.700 0.091 0.000 2.525 208 S HA 0.657 5.130 4.470 0.004 0.000 0.278 208 S C -0.145 174.520 174.600 0.108 0.000 1.234 208 S CA -0.289 57.956 58.200 0.075 0.000 1.058 208 S CB 2.097 65.326 63.200 0.049 0.000 0.983 208 S HN 0.502 nan 8.310 nan 0.000 0.495 209 E N 1.988 122.239 120.200 0.086 0.000 2.383 209 E HA 0.314 4.667 4.350 0.004 0.000 0.264 209 E C -0.280 176.398 176.600 0.128 0.000 1.050 209 E CA -0.346 56.133 56.400 0.131 0.000 0.896 209 E CB 0.561 30.202 29.700 -0.097 0.000 0.982 209 E HN 0.437 nan 8.360 nan 0.000 0.424 210 K N 1.468 122.009 120.400 0.234 0.000 2.427 210 K HA 0.429 4.752 4.320 0.004 0.000 0.252 210 K C -1.106 175.641 176.600 0.244 0.000 0.931 210 K CA -0.822 55.588 56.287 0.206 0.000 0.793 210 K CB 2.179 34.806 32.500 0.212 0.000 1.211 210 K HN 0.222 nan 8.250 nan 0.000 0.426 211 V N 3.211 123.219 119.914 0.156 0.000 2.532 211 V HA 0.397 4.519 4.120 0.004 0.000 0.295 211 V C 0.290 176.402 176.094 0.030 0.000 1.041 211 V CA -0.989 61.364 62.300 0.087 0.000 0.926 211 V CB 1.577 33.368 31.823 -0.053 0.000 0.992 211 V HN 0.539 nan 8.190 nan 0.000 0.457 212 L N 5.244 126.488 121.223 0.035 0.000 2.260 212 L HA 0.410 4.752 4.340 0.004 0.000 0.289 212 L C -0.359 176.420 176.870 -0.153 0.000 1.057 212 L CA -0.355 54.428 54.840 -0.095 0.000 0.811 212 L CB 0.868 42.913 42.059 -0.024 0.000 1.184 212 L HN 0.447 nan 8.230 nan 0.000 0.429 213 I N 3.862 124.305 120.570 -0.211 0.000 2.322 213 I HA 0.136 4.309 4.170 0.004 0.000 0.292 213 I C 0.942 176.959 176.117 -0.166 0.000 1.060 213 I CA -0.259 60.928 61.300 -0.188 0.000 1.309 213 I CB 1.188 39.086 38.000 -0.170 0.000 1.415 213 I HN 0.602 nan 8.210 nan 0.000 0.492 214 A N 8.142 130.887 122.820 -0.125 0.000 2.583 214 A HA -0.015 4.307 4.320 0.004 0.000 0.249 214 A C 0.486 178.019 177.584 -0.085 0.000 1.035 214 A CA 0.072 52.053 52.037 -0.094 0.000 0.777 214 A CB -0.202 18.759 19.000 -0.066 0.000 0.942 214 A HN 0.654 nan 8.150 nan 0.000 0.516 215 Q N 1.460 121.208 119.800 -0.086 0.000 2.235 215 Q HA 0.348 4.690 4.340 0.004 0.000 0.250 215 Q C -0.144 175.833 176.000 -0.038 0.000 0.909 215 Q CA -0.119 55.646 55.803 -0.063 0.000 0.910 215 Q CB 1.688 30.384 28.738 -0.071 0.000 1.223 215 Q HN 0.858 nan 8.270 nan 0.000 0.432 216 E N 2.026 122.215 120.200 -0.019 0.000 2.179 216 E HA 0.507 4.860 4.350 0.004 0.000 0.275 216 E C -0.849 175.745 176.600 -0.011 0.000 0.945 216 E CA -0.523 55.871 56.400 -0.010 0.000 0.792 216 E CB 1.138 30.859 29.700 0.036 0.000 1.125 216 E HN 0.568 nan 8.360 nan 0.000 0.397 217 R N 0.910 121.394 120.500 -0.027 0.000 2.734 217 R HA 0.477 4.819 4.340 0.004 0.000 0.271 217 R C -1.181 175.101 176.300 -0.030 0.000 1.021 217 R CA -0.917 55.172 56.100 -0.018 0.000 0.893 217 R CB 1.070 31.363 30.300 -0.011 0.000 1.244 217 R HN 0.300 nan 8.270 nan 0.000 0.464 218 S N 0.702 116.395 115.700 -0.012 0.000 2.562 218 S HA 0.380 4.853 4.470 0.004 0.000 0.281 218 S C 0.294 174.886 174.600 -0.013 0.000 1.333 218 S CA -0.206 57.989 58.200 -0.008 0.000 1.052 218 S CB 1.114 64.326 63.200 0.020 0.000 0.884 218 S HN 0.685 nan 8.310 nan 0.000 0.506 219 A N 2.500 125.306 122.820 -0.024 0.000 2.332 219 A HA 0.646 4.969 4.320 0.004 0.000 0.258 219 A C 0.853 178.439 177.584 0.004 0.000 1.087 219 A CA -0.159 51.866 52.037 -0.020 0.000 0.802 219 A CB -0.158 18.818 19.000 -0.041 0.000 1.042 219 A HN 0.905 nan 8.150 nan 0.000 0.489 220 G N -0.651 108.152 108.800 0.005 0.000 2.528 220 G HA2 0.414 4.376 3.960 0.004 0.000 0.289 220 G HA3 0.414 4.376 3.960 0.004 0.000 0.289 220 G C 0.076 174.959 174.900 -0.028 0.000 1.192 220 G CA -0.071 45.019 45.100 -0.016 0.000 0.921 220 G HN 0.976 nan 8.290 nan 0.000 0.512 221 N N -2.090 116.541 118.700 -0.115 0.000 2.708 221 N HA -0.199 4.544 4.740 0.004 0.000 0.251 221 N C 0.100 175.612 175.510 0.003 0.000 1.123 221 N CA 1.608 54.523 53.050 -0.225 0.000 0.739 221 N CB -1.734 36.513 38.487 -0.401 0.000 1.113 221 N HN 0.817 nan 8.380 nan 0.000 0.561 222 I N -4.673 115.930 120.570 0.055 0.000 2.693 222 I HA 0.728 4.900 4.170 0.004 0.000 0.303 222 I C 0.069 176.222 176.117 0.059 0.000 1.025 222 I CA -1.306 60.044 61.300 0.083 0.000 1.086 222 I CB 2.137 40.178 38.000 0.068 0.000 1.268 222 I HN -0.207 nan 8.210 nan 0.000 0.440 223 V N 4.108 124.039 119.914 0.029 0.000 2.417 223 V HA 0.531 4.654 4.120 0.004 0.000 0.291 223 V C -0.686 175.334 176.094 -0.124 0.000 1.024 223 V CA 0.014 62.309 62.300 -0.008 0.000 0.861 223 V CB 1.614 33.461 31.823 0.039 0.000 0.985 223 V HN 0.920 nan 8.190 nan 0.000 0.436 224 Q N 4.426 124.092 119.800 -0.224 0.000 2.315 224 Q HA 0.602 4.945 4.340 0.004 0.000 0.273 224 Q C -1.579 174.000 176.000 -0.701 0.000 1.053 224 Q CA -0.693 54.824 55.803 -0.477 0.000 0.817 224 Q CB 2.850 31.241 28.738 -0.580 0.000 1.326 224 Q HN 0.610 nan 8.270 nan 0.000 0.423 225 V N 2.337 121.869 119.914 -0.636 0.000 2.427 225 V HA 0.550 4.673 4.120 0.004 0.000 0.286 225 V C -0.745 175.064 176.094 -0.474 0.000 1.034 225 V CA -0.446 61.599 62.300 -0.425 0.000 0.893 225 V CB 0.643 32.374 31.823 -0.153 0.000 0.982 225 V HN 0.629 nan 8.190 nan 0.000 0.452 226 F N 2.786 122.742 119.950 0.009 0.000 2.553 226 F HA 0.445 4.975 4.527 0.005 0.000 0.335 226 F C 0.582 176.318 175.800 -0.107 0.000 1.148 226 F CA -1.035 56.943 58.000 -0.036 0.000 0.963 226 F CB 1.673 40.658 39.000 -0.026 0.000 1.217 226 F HN 0.366 nan 8.300 nan 0.000 0.441 227 K N 3.834 124.232 120.400 -0.003 0.000 2.489 227 K HA 0.146 4.468 4.320 0.004 0.000 0.278 227 K C -0.374 176.165 176.600 -0.102 0.000 1.000 227 K CA 0.162 56.307 56.287 -0.236 0.000 1.012 227 K CB 0.707 33.060 32.500 -0.244 0.000 0.903 227 K HN 0.538 nan 8.250 nan 0.000 0.485 228 K N 2.242 122.569 120.400 -0.121 0.000 2.483 228 K HA 0.301 4.623 4.320 0.004 0.000 0.256 228 K C -0.206 176.357 176.600 -0.061 0.000 0.961 228 K CA -0.255 55.994 56.287 -0.063 0.000 0.873 228 K CB 1.673 34.151 32.500 -0.037 0.000 1.107 228 K HN 0.843 nan 8.250 nan 0.000 0.432 229 A N 2.419 125.207 122.820 -0.053 0.000 5.989 229 A HA -0.266 4.057 4.320 0.004 0.000 0.346 229 A C 0.796 178.359 177.584 -0.035 0.000 1.838 229 A CA 1.441 53.452 52.037 -0.042 0.000 0.926 229 A CB -1.333 17.644 19.000 -0.039 0.000 1.300 229 A HN 0.863 nan 8.150 nan 0.000 0.441 230 A N -2.803 120.001 122.820 -0.027 0.000 2.048 230 A HA 0.490 4.813 4.320 0.004 0.000 0.197 230 A C -0.057 177.518 177.584 -0.015 0.000 1.486 230 A CA 1.137 53.163 52.037 -0.018 0.000 1.029 230 A CB -0.338 18.654 19.000 -0.013 0.000 1.101 230 A HN 0.927 nan 8.150 nan 0.000 0.470 231 P HA 0.101 nan 4.420 nan 0.000 0.249 231 P C 0.367 177.655 177.300 -0.021 0.000 1.229 231 P CA 0.830 63.921 63.100 -0.014 0.000 0.788 231 P CB -0.004 31.688 31.700 -0.013 0.000 1.072 232 S N 1.250 116.932 115.700 -0.031 0.000 2.525 232 S HA 0.341 4.814 4.470 0.004 0.000 0.278 232 S C -1.168 173.397 174.600 -0.058 0.000 1.234 232 S CA -1.129 57.042 58.200 -0.048 0.000 1.058 232 S CB 1.433 64.599 63.200 -0.056 0.000 0.983 232 S HN -0.112 nan 8.310 nan 0.000 0.495 233 P HA 0.019 nan 4.420 nan 0.000 0.219 233 P C 0.810 178.029 177.300 -0.135 0.000 1.150 233 P CA 0.582 63.626 63.100 -0.093 0.000 0.814 233 P CB -0.291 31.338 31.700 -0.118 0.000 0.787 234 I N -0.955 119.491 120.570 -0.207 0.000 2.395 234 I HA 0.235 4.408 4.170 0.004 0.000 0.289 234 I C 1.056 177.147 176.117 -0.042 0.000 1.023 234 I CA -0.144 61.056 61.300 -0.167 0.000 1.350 234 I CB 1.145 39.005 38.000 -0.234 0.000 1.409 234 I HN -0.145 nan 8.210 nan 0.000 0.507 235 S N 4.486 120.215 115.700 0.048 0.000 2.499 235 S HA 0.172 4.645 4.470 0.004 0.000 0.225 235 S C 0.281 174.902 174.600 0.035 0.000 1.050 235 S CA 0.093 58.340 58.200 0.079 0.000 0.928 235 S CB -0.149 63.168 63.200 0.196 0.000 0.803 235 S HN 0.845 nan 8.310 nan 0.000 0.506 236 H N -0.414 118.669 119.070 0.021 0.000 2.851 236 H HA 0.784 5.343 4.556 0.005 0.000 0.372 236 H C -1.345 174.007 175.328 0.039 0.000 1.158 236 H CA -0.567 55.500 56.048 0.032 0.000 1.159 236 H CB 2.152 31.924 29.762 0.017 0.000 1.757 236 H HN 0.115 nan 8.280 nan 0.000 0.546 237 V N 0.877 120.886 119.914 0.159 0.000 2.760 237 V HA 0.767 4.889 4.120 0.004 0.000 0.309 237 V C -0.547 175.582 176.094 0.059 0.000 1.077 237 V CA -0.942 61.430 62.300 0.120 0.000 0.910 237 V CB 1.889 33.792 31.823 0.133 0.000 1.008 237 V HN 0.958 nan 8.190 nan 0.000 0.424 238 A N 3.375 126.215 122.820 0.032 0.000 2.304 238 A HA 0.844 5.166 4.320 0.004 0.000 0.314 238 A C -0.446 177.135 177.584 -0.005 0.000 1.187 238 A CA -0.504 51.506 52.037 -0.045 0.000 0.810 238 A CB 0.786 19.761 19.000 -0.041 0.000 1.183 238 A HN 0.857 nan 8.150 nan 0.000 0.487 239 E N 1.014 121.188 120.200 -0.043 0.000 2.277 239 E HA 0.676 5.029 4.350 0.004 0.000 0.266 239 E C -1.488 175.135 176.600 0.039 0.000 0.901 239 E CA -0.606 55.817 56.400 0.038 0.000 0.782 239 E CB 2.826 32.599 29.700 0.122 0.000 1.228 239 E HN 0.624 nan 8.360 nan 0.000 0.424 240 I N 1.194 121.810 120.570 0.076 0.000 2.610 240 I HA 0.267 4.439 4.170 0.004 0.000 0.289 240 I C -0.998 175.160 176.117 0.068 0.000 1.163 240 I CA -0.528 60.827 61.300 0.092 0.000 1.044 240 I CB 1.245 39.350 38.000 0.175 0.000 1.251 240 I HN 0.397 nan 8.210 nan 0.000 0.424 241 R N 5.038 125.564 120.500 0.043 0.000 3.657 241 R HA 0.214 4.556 4.340 0.004 0.000 0.220 241 R C -0.069 176.221 176.300 -0.016 0.000 1.548 241 R CA -0.239 55.874 56.100 0.022 0.000 1.465 241 R CB 0.114 30.428 30.300 0.023 0.000 1.330 241 R HN 0.656 nan 8.270 nan 0.000 0.707 242 S N 0.420 116.117 115.700 -0.004 0.000 2.465 242 S HA 0.523 4.995 4.470 0.004 0.000 0.280 242 S C 0.056 174.656 174.600 -0.001 0.000 1.232 242 S CA -0.702 57.480 58.200 -0.032 0.000 1.066 242 S CB 1.553 64.832 63.200 0.132 0.000 0.929 242 S HN 0.473 nan 8.310 nan 0.000 0.494 243 A N 3.407 126.203 122.820 -0.040 0.000 2.574 243 A HA 0.642 4.965 4.320 0.004 0.000 0.297 243 A C -0.973 176.613 177.584 0.003 0.000 1.062 243 A CA -1.047 50.999 52.037 0.015 0.000 0.686 243 A CB 0.895 19.913 19.000 0.029 0.000 1.285 243 A HN 0.767 nan 8.150 nan 0.000 0.403 244 L N 1.674 122.919 121.223 0.036 0.000 2.290 244 L HA 0.353 4.695 4.340 0.004 0.000 0.284 244 L C 1.583 178.473 176.870 0.033 0.000 1.078 244 L CA -0.152 54.706 54.840 0.031 0.000 0.815 244 L CB 1.020 43.100 42.059 0.034 0.000 1.162 244 L HN 1.002 nan 8.230 nan 0.000 0.435 245 E N 2.556 122.771 120.200 0.025 0.000 2.274 245 E HA -0.128 4.225 4.350 0.004 0.000 0.194 245 E C -0.108 176.516 176.600 0.041 0.000 0.996 245 E CA 0.732 57.151 56.400 0.031 0.000 0.840 245 E CB 0.044 29.758 29.700 0.023 0.000 0.772 245 E HN 0.609 nan 8.360 nan 0.000 0.491 246 K N 0.338 120.761 120.400 0.038 0.000 2.530 246 K HA 0.597 4.920 4.320 0.004 0.000 0.230 246 K C -0.563 176.065 176.600 0.046 0.000 1.002 246 K CA -0.568 55.745 56.287 0.044 0.000 1.014 246 K CB 1.244 33.766 32.500 0.036 0.000 1.286 246 K HN 0.139 nan 8.250 nan 0.000 0.480 247 G N 1.316 110.151 108.800 0.059 0.000 2.648 247 G HA2 0.161 4.123 3.960 0.004 0.000 0.317 247 G HA3 0.161 4.123 3.960 0.004 0.000 0.317 247 G C -0.442 174.495 174.900 0.062 0.000 1.216 247 G CA -0.394 44.739 45.100 0.055 0.000 1.210 247 G HN 0.780 nan 8.290 nan 0.000 0.583 248 S N -0.714 115.038 115.700 0.087 0.000 3.922 248 S HA -0.142 4.331 4.470 0.004 0.000 0.641 248 S C 0.328 175.029 174.600 0.169 0.000 1.746 248 S CA 1.221 59.496 58.200 0.126 0.000 1.907 248 S CB -0.195 63.047 63.200 0.069 0.000 0.326 248 S HN 2.057 nan 8.310 nan 0.000 1.786 249 R N 0.859 121.515 120.500 0.261 0.000 2.644 249 R HA 0.526 4.869 4.340 0.004 0.000 0.271 249 R C -1.526 174.925 176.300 0.253 0.000 1.687 249 R CA 0.042 56.265 56.100 0.205 0.000 1.655 249 R CB 0.039 30.410 30.300 0.118 0.000 1.285 249 R HN 0.393 nan 8.270 nan 0.000 0.643 250 F N 3.843 123.800 119.950 0.012 0.000 2.307 250 F HA 0.395 4.925 4.527 0.005 0.000 0.369 250 F C 0.073 175.866 175.800 -0.012 0.000 1.076 250 F CA -0.972 57.027 58.000 -0.000 0.000 1.149 250 F CB 0.952 39.956 39.000 0.006 0.000 1.410 250 F HN 0.134 nan 8.300 nan 0.000 0.481 251 I N 2.716 123.289 120.570 0.005 0.000 2.293 251 I HA 0.028 4.200 4.170 0.004 0.000 0.299 251 I C 0.572 176.677 176.117 -0.020 0.000 1.153 251 I CA 0.149 61.449 61.300 -0.001 0.000 1.302 251 I CB 0.027 38.012 38.000 -0.024 0.000 1.460 251 I HN 0.314 nan 8.210 nan 0.000 0.552 252 S N 5.675 121.385 115.700 0.016 0.000 2.452 252 S HA 0.520 4.993 4.470 0.004 0.000 0.284 252 S C 0.275 174.879 174.600 0.007 0.000 1.171 252 S CA -0.477 57.721 58.200 -0.003 0.000 1.064 252 S CB 0.343 63.555 63.200 0.019 0.000 0.967 252 S HN 0.670 nan 8.310 nan 0.000 0.484 253 T N 3.535 118.091 114.554 0.003 0.000 2.859 253 T HA 0.647 5.000 4.350 0.004 0.000 0.281 253 T C -0.554 174.166 174.700 0.034 0.000 1.005 253 T CA -0.870 61.244 62.100 0.023 0.000 1.025 253 T CB 1.274 70.159 68.868 0.028 0.000 0.977 253 T HN 0.520 nan 8.240 nan 0.000 0.458 254 L N 2.090 123.341 121.223 0.046 0.000 2.322 254 L HA 0.510 4.853 4.340 0.004 0.000 0.281 254 L C -0.598 176.319 176.870 0.078 0.000 1.014 254 L CA -0.340 54.535 54.840 0.058 0.000 0.815 254 L CB 1.804 43.879 42.059 0.027 0.000 1.247 254 L HN 0.763 nan 8.230 nan 0.000 0.421 255 Q N 3.777 123.632 119.800 0.092 0.000 2.331 255 Q HA 0.509 4.852 4.340 0.004 0.000 0.267 255 Q C -1.209 174.859 176.000 0.114 0.000 1.006 255 Q CA -0.745 55.117 55.803 0.099 0.000 0.818 255 Q CB 2.595 31.392 28.738 0.099 0.000 1.276 255 Q HN 0.476 nan 8.270 nan 0.000 0.450 256 V N 3.915 123.892 119.914 0.106 0.000 2.247 256 V HA 0.187 4.310 4.120 0.004 0.000 0.262 256 V C -0.229 175.940 176.094 0.127 0.000 1.096 256 V CA -0.538 61.831 62.300 0.116 0.000 0.895 256 V CB 0.051 31.931 31.823 0.095 0.000 1.141 256 V HN 0.607 nan 8.190 nan 0.000 0.478 257 K N 3.320 123.818 120.400 0.165 0.000 2.270 257 K HA 0.405 4.727 4.320 0.004 0.000 0.276 257 K C -0.334 176.403 176.600 0.229 0.000 1.023 257 K CA -0.597 55.803 56.287 0.187 0.000 0.955 257 K CB 1.203 33.848 32.500 0.242 0.000 0.975 257 K HN 0.385 nan 8.250 nan 0.000 0.471 258 L N 4.687 126.024 121.223 0.191 0.000 2.504 258 L HA 0.253 4.595 4.340 0.004 0.000 0.249 258 L C -1.285 175.715 176.870 0.216 0.000 1.120 258 L CA -0.524 54.430 54.840 0.191 0.000 0.997 258 L CB -0.502 41.629 42.059 0.120 0.000 1.349 258 L HN 0.406 nan 8.230 nan 0.000 0.439 259 Y N 2.694 123.032 120.300 0.063 0.000 2.903 259 Y HA 0.359 4.912 4.550 0.005 0.000 0.338 259 Y C 1.426 177.358 175.900 0.053 0.000 1.265 259 Y CA 1.170 59.304 58.100 0.057 0.000 1.532 259 Y CB 0.212 38.702 38.460 0.051 0.000 1.293 259 Y HN 0.795 nan 8.280 nan 0.000 0.609 260 G N 3.032 111.923 108.800 0.152 0.000 3.039 260 G HA2 -0.135 3.828 3.960 0.004 0.000 0.686 260 G HA3 -0.135 3.828 3.960 0.004 0.000 0.686 260 G C -0.486 174.462 174.900 0.081 0.000 1.066 260 G CA -1.180 43.986 45.100 0.110 0.000 0.774 260 G HN 0.547 nan 8.290 nan 0.000 0.591 261 R N 0.689 121.226 120.500 0.061 0.000 2.822 261 R HA 0.239 4.582 4.340 0.004 0.000 0.277 261 R C 0.919 177.253 176.300 0.057 0.000 1.102 261 R CA -0.340 55.793 56.100 0.055 0.000 1.207 261 R CB 0.317 30.640 30.300 0.039 0.000 1.139 261 R HN 0.786 nan 8.270 nan 0.000 0.557 262 E N 0.003 120.236 120.200 0.055 0.000 2.344 262 E HA 0.115 4.467 4.350 0.004 0.000 0.270 262 E C 0.521 177.142 176.600 0.036 0.000 1.021 262 E CA 0.833 57.260 56.400 0.044 0.000 0.887 262 E CB 0.400 30.127 29.700 0.045 0.000 0.997 262 E HN 0.701 nan 8.360 nan 0.000 0.429 263 G N 3.477 112.296 108.800 0.032 0.000 2.383 263 G HA2 -0.318 3.644 3.960 0.004 0.000 0.229 263 G HA3 -0.318 3.644 3.960 0.004 0.000 0.229 263 G C 0.484 175.403 174.900 0.032 0.000 1.089 263 G CA 0.262 45.380 45.100 0.030 0.000 0.640 263 G HN 0.665 nan 8.290 nan 0.000 0.510 264 S N 1.479 117.201 115.700 0.037 0.000 2.573 264 S HA 0.383 4.856 4.470 0.004 0.000 0.297 264 S C 1.215 175.840 174.600 0.041 0.000 1.280 264 S CA 0.827 59.051 58.200 0.041 0.000 1.061 264 S CB 0.155 63.384 63.200 0.049 0.000 0.812 264 S HN 1.731 nan 8.310 nan 0.000 0.500 265 S N 4.146 119.870 115.700 0.039 0.000 2.560 265 S HA 0.457 4.930 4.470 0.004 0.000 0.323 265 S C 0.354 174.978 174.600 0.040 0.000 1.191 265 S CA -0.218 58.004 58.200 0.036 0.000 1.231 265 S CB -0.875 62.344 63.200 0.032 0.000 1.224 265 S HN 1.940 nan 8.310 nan 0.000 0.545 266 A N 2.716 125.559 122.820 0.039 0.000 2.012 266 A HA -0.126 4.196 4.320 0.004 0.000 0.504 266 A C 0.195 177.809 177.584 0.049 0.000 0.596 266 A CA -0.332 51.729 52.037 0.039 0.000 0.413 266 A CB -1.117 17.902 19.000 0.033 0.000 2.918 266 A HN 0.846 nan 8.150 nan 0.000 0.406 267 R N 2.042 122.571 120.500 0.049 0.000 2.248 267 R HA 0.321 4.664 4.340 0.004 0.000 0.337 267 R C 0.894 177.231 176.300 0.062 0.000 1.106 267 R CA 0.512 56.652 56.100 0.065 0.000 0.959 267 R CB 0.860 31.192 30.300 0.053 0.000 1.075 267 R HN 0.905 nan 8.270 nan 0.000 0.480 268 T N 2.328 116.925 114.554 0.071 0.000 2.813 268 T HA 0.292 4.645 4.350 0.004 0.000 0.297 268 T C 0.413 175.160 174.700 0.079 0.000 1.036 268 T CA -0.191 61.936 62.100 0.045 0.000 1.044 268 T CB 0.469 69.326 68.868 -0.018 0.000 0.993 268 T HN 0.435 nan 8.240 nan 0.000 0.535 269 I N 3.482 124.089 120.570 0.063 0.000 2.521 269 I HA 0.337 4.510 4.170 0.004 0.000 0.277 269 I C 0.338 176.505 176.117 0.083 0.000 1.054 269 I CA -0.796 60.564 61.300 0.100 0.000 1.117 269 I CB 1.394 39.450 38.000 0.094 0.000 1.217 269 I HN 0.616 nan 8.210 nan 0.000 0.469 270 K N 3.710 124.158 120.400 0.079 0.000 2.399 270 K HA 0.885 5.208 4.320 0.004 0.000 0.247 270 K C -0.252 176.422 176.600 0.123 0.000 1.036 270 K CA -0.630 55.686 56.287 0.048 0.000 0.977 270 K CB 1.558 34.004 32.500 -0.090 0.000 1.272 270 K HN 0.596 nan 8.250 nan 0.000 0.501 271 A N 0.238 123.123 122.820 0.109 0.000 2.572 271 A HA 0.466 4.789 4.320 0.004 0.000 0.295 271 A C -1.203 176.450 177.584 0.116 0.000 1.072 271 A CA -0.681 51.432 52.037 0.127 0.000 0.691 271 A CB 1.716 20.793 19.000 0.129 0.000 1.291 271 A HN 0.492 nan 8.150 nan 0.000 0.404 272 T N 1.971 116.600 114.554 0.125 0.000 2.744 272 T HA 0.558 4.910 4.350 0.004 0.000 0.291 272 T C -0.510 174.258 174.700 0.113 0.000 0.957 272 T CA 0.165 62.329 62.100 0.107 0.000 1.002 272 T CB -0.053 68.874 68.868 0.099 0.000 0.919 272 T HN 0.406 nan 8.240 nan 0.000 0.468 273 L N 6.411 127.691 121.223 0.095 0.000 2.341 273 L HA 0.446 4.789 4.340 0.004 0.000 0.278 273 L C -1.958 174.959 176.870 0.079 0.000 1.005 273 L CA -2.473 52.433 54.840 0.110 0.000 0.818 273 L CB 1.820 43.934 42.059 0.092 0.000 1.259 273 L HN 0.370 nan 8.230 nan 0.000 0.418 274 P HA -0.059 nan 4.420 nan 0.000 0.265 274 P C -0.454 176.886 177.300 0.068 0.000 1.193 274 P CA 0.350 63.445 63.100 -0.009 0.000 0.765 274 P CB 0.406 32.070 31.700 -0.061 0.000 0.823 275 Y N -1.098 119.232 120.300 0.049 0.000 4.543 275 Y HA -0.254 4.298 4.550 0.004 0.000 0.303 275 Y C 1.051 176.993 175.900 0.071 0.000 1.054 275 Y CA 0.541 58.679 58.100 0.065 0.000 1.902 275 Y CB -2.230 36.264 38.460 0.056 0.000 1.052 275 Y HN 0.330 nan 8.280 nan 0.000 0.448 276 I N 1.663 122.337 120.570 0.173 0.000 2.371 276 I HA 0.030 4.203 4.170 0.004 0.000 0.290 276 I C 1.382 177.546 176.117 0.079 0.000 1.028 276 I CA -0.106 61.257 61.300 0.106 0.000 1.345 276 I CB 1.247 39.268 38.000 0.034 0.000 1.407 276 I HN 0.058 nan 8.210 nan 0.000 0.501 277 K N 3.764 124.207 120.400 0.071 0.000 2.211 277 K HA -0.145 4.178 4.320 0.004 0.000 0.204 277 K C 0.839 177.458 176.600 0.032 0.000 1.047 277 K CA 1.225 57.544 56.287 0.053 0.000 0.935 277 K CB 0.076 32.602 32.500 0.043 0.000 0.728 277 K HN 0.584 nan 8.250 nan 0.000 0.452 278 Q N -0.623 119.181 119.800 0.007 0.000 3.348 278 Q HA 0.168 4.511 4.340 0.004 0.000 0.330 278 Q C -1.381 174.624 176.000 0.009 0.000 0.928 278 Q CA -0.840 54.965 55.803 0.004 0.000 0.823 278 Q CB 1.800 30.519 28.738 -0.031 0.000 1.774 278 Q HN -0.102 nan 8.270 nan 0.000 0.433 279 D N 0.813 121.217 120.400 0.006 0.000 2.498 279 D HA 0.415 5.058 4.640 0.004 0.000 0.247 279 D C -1.004 175.286 176.300 -0.016 0.000 1.070 279 D CA -0.293 53.721 54.000 0.024 0.000 0.842 279 D CB 1.522 42.369 40.800 0.078 0.000 1.361 279 D HN 0.289 nan 8.370 nan 0.000 0.484 280 I N 2.510 123.079 120.570 -0.001 0.000 2.377 280 I HA 0.321 4.493 4.170 0.004 0.000 0.293 280 I C -2.276 173.881 176.117 0.066 0.000 0.987 280 I CA -2.697 58.617 61.300 0.023 0.000 1.185 280 I CB 1.115 39.108 38.000 -0.012 0.000 1.341 280 I HN -0.088 nan 8.210 nan 0.000 0.455 281 P HA 0.182 nan 4.420 nan 0.000 0.269 281 P C 1.331 178.695 177.300 0.106 0.000 1.209 281 P CA -0.167 62.982 63.100 0.082 0.000 0.776 281 P CB 0.751 32.496 31.700 0.076 0.000 0.876 282 I N 0.975 121.619 120.570 0.123 0.000 2.439 282 I HA -0.156 4.017 4.170 0.004 0.000 0.251 282 I C 1.485 177.761 176.117 0.265 0.000 1.139 282 I CA 1.152 62.552 61.300 0.166 0.000 1.438 282 I CB -0.886 37.250 38.000 0.226 0.000 1.085 282 I HN 0.065 nan 8.210 nan 0.000 0.427 283 V N -0.315 119.738 119.914 0.233 0.000 2.626 283 V HA -0.134 3.989 4.120 0.004 0.000 0.252 283 V C 2.473 178.674 176.094 0.177 0.000 1.067 283 V CA 1.071 63.507 62.300 0.226 0.000 1.081 283 V CB -1.030 30.867 31.823 0.123 0.000 0.686 283 V HN 0.394 nan 8.190 nan 0.000 0.468 284 I N 0.103 120.756 120.570 0.137 0.000 2.286 284 I HA -0.095 4.077 4.170 0.004 0.000 0.245 284 I C 2.647 178.814 176.117 0.084 0.000 1.104 284 I CA 1.290 62.663 61.300 0.122 0.000 1.397 284 I CB -0.917 37.198 38.000 0.193 0.000 1.072 284 I HN 0.256 nan 8.210 nan 0.000 0.417 285 I N 0.881 121.476 120.570 0.043 0.000 2.163 285 I HA -0.292 3.880 4.170 0.004 0.000 0.243 285 I C 2.693 178.728 176.117 -0.136 0.000 1.085 285 I CA 1.703 62.940 61.300 -0.105 0.000 1.347 285 I CB -1.331 36.567 38.000 -0.171 0.000 1.044 285 I HN 0.083 nan 8.210 nan 0.000 0.408 286 F N 0.907 120.829 119.950 -0.048 0.000 2.126 286 F HA -0.216 4.314 4.527 0.005 0.000 0.299 286 F C 2.795 178.560 175.800 -0.059 0.000 1.096 286 F CA 1.439 59.402 58.000 -0.061 0.000 1.255 286 F CB -0.341 38.639 39.000 -0.034 0.000 0.997 286 F HN -0.003 nan 8.300 nan 0.000 0.479 287 R N -0.357 120.236 120.500 0.156 0.000 2.115 287 R HA -0.046 4.297 4.340 0.004 0.000 0.226 287 R C 2.326 178.645 176.300 0.032 0.000 1.100 287 R CA 0.875 57.024 56.100 0.082 0.000 0.980 287 R CB -0.492 29.853 30.300 0.075 0.000 0.875 287 R HN 0.238 nan 8.270 nan 0.000 0.445 288 A N 0.594 123.414 122.820 0.001 0.000 2.070 288 A HA -0.098 4.224 4.320 0.004 0.000 0.220 288 A C 1.926 179.462 177.584 -0.080 0.000 1.159 288 A CA 1.006 53.017 52.037 -0.044 0.000 0.656 288 A CB -0.231 18.719 19.000 -0.084 0.000 0.800 288 A HN 0.199 nan 8.150 nan 0.000 0.453 289 L N -2.564 118.606 121.223 -0.088 0.000 2.116 289 L HA 0.198 4.540 4.340 0.004 0.000 0.200 289 L C 2.224 179.075 176.870 -0.032 0.000 1.084 289 L CA 1.379 56.162 54.840 -0.095 0.000 0.766 289 L CB -0.113 41.867 42.059 -0.131 0.000 0.930 289 L HN 0.509 nan 8.230 nan 0.000 0.453 290 G N -1.361 107.439 108.800 -0.000 0.000 4.094 290 G HA2 0.108 4.071 3.960 0.004 0.000 0.177 290 G HA3 0.108 4.071 3.960 0.004 0.000 0.177 290 G C 0.004 174.926 174.900 0.037 0.000 1.135 290 G CA -0.418 44.692 45.100 0.016 0.000 0.922 290 G HN 0.065 nan 8.290 nan 0.000 0.533 291 I N 2.740 123.345 120.570 0.058 0.000 2.441 291 I HA 0.344 4.517 4.170 0.004 0.000 0.287 291 I C 1.055 177.209 176.117 0.062 0.000 1.049 291 I CA -0.246 61.096 61.300 0.070 0.000 1.381 291 I CB 1.218 39.275 38.000 0.095 0.000 1.409 291 I HN -0.020 nan 8.210 nan 0.000 0.523 292 I N 5.118 125.711 120.570 0.037 0.000 3.812 292 I HA 0.159 4.332 4.170 0.004 0.000 0.292 292 I C -1.846 174.279 176.117 0.013 0.000 1.206 292 I CA 0.160 61.478 61.300 0.030 0.000 1.370 292 I CB -1.152 36.862 38.000 0.024 0.000 1.328 292 I HN 0.361 nan 8.210 nan 0.000 0.453 293 P HA 0.115 nan 4.420 nan 0.000 0.280 293 P C -0.953 176.321 177.300 -0.043 0.000 1.300 293 P CA -0.196 62.891 63.100 -0.022 0.000 0.785 293 P CB -0.195 31.488 31.700 -0.027 0.000 0.874 294 D N 3.241 123.615 120.400 -0.043 0.000 3.146 294 D HA 0.016 4.658 4.640 0.004 0.000 0.205 294 D C 1.747 177.999 176.300 -0.079 0.000 1.060 294 D CA 2.172 56.134 54.000 -0.063 0.000 0.765 294 D CB -0.440 40.334 40.800 -0.043 0.000 1.160 294 D HN 0.720 nan 8.370 nan 0.000 0.523 295 G N 2.054 110.793 108.800 -0.102 0.000 2.284 295 G HA2 -0.385 3.577 3.960 0.004 0.000 0.230 295 G HA3 -0.385 3.577 3.960 0.004 0.000 0.230 295 G C 0.910 175.739 174.900 -0.119 0.000 1.021 295 G CA 0.413 45.452 45.100 -0.102 0.000 0.619 295 G HN 0.581 nan 8.290 nan 0.000 0.510 296 E N -0.039 120.094 120.200 -0.111 0.000 2.340 296 E HA 0.173 4.526 4.350 0.004 0.000 0.194 296 E C 2.436 178.953 176.600 -0.139 0.000 0.996 296 E CA 0.239 56.566 56.400 -0.120 0.000 0.869 296 E CB -0.040 29.621 29.700 -0.065 0.000 0.835 296 E HN 0.472 nan 8.360 nan 0.000 0.493 297 I N 1.513 121.974 120.570 -0.182 0.000 2.179 297 I HA -0.267 3.906 4.170 0.004 0.000 0.242 297 I C 2.310 178.168 176.117 -0.431 0.000 1.088 297 I CA 1.165 62.229 61.300 -0.393 0.000 1.357 297 I CB -0.994 36.777 38.000 -0.382 0.000 1.051 297 I HN 0.249 nan 8.210 nan 0.000 0.409 298 L N 0.013 121.074 121.223 -0.269 0.000 2.275 298 L HA -0.128 4.215 4.340 0.004 0.000 0.215 298 L C 2.359 179.104 176.870 -0.208 0.000 1.119 298 L CA 0.907 55.617 54.840 -0.217 0.000 0.790 298 L CB -0.701 41.273 42.059 -0.141 0.000 0.919 298 L HN 0.283 nan 8.230 nan 0.000 0.443 299 E N -0.306 119.765 120.200 -0.215 0.000 2.204 299 E HA -0.159 4.194 4.350 0.004 0.000 0.194 299 E C 2.022 178.476 176.600 -0.243 0.000 0.989 299 E CA 0.848 57.124 56.400 -0.207 0.000 0.824 299 E CB -0.006 29.559 29.700 -0.225 0.000 0.756 299 E HN 0.603 nan 8.360 nan 0.000 0.477 300 H N -0.426 118.507 119.070 -0.229 0.000 2.470 300 H HA 0.076 4.635 4.556 0.005 0.000 0.289 300 H C 2.113 177.400 175.328 -0.069 0.000 1.033 300 H CA 0.607 56.556 56.048 -0.165 0.000 1.331 300 H CB 0.436 30.044 29.762 -0.257 0.000 1.414 300 H HN 0.165 nan 8.280 nan 0.000 0.545 301 I N -0.327 120.156 120.570 -0.145 0.000 2.522 301 I HA -0.087 4.086 4.170 0.004 0.000 0.240 301 I C 1.043 176.856 176.117 -0.507 0.000 1.078 301 I CA 0.330 61.520 61.300 -0.183 0.000 1.422 301 I CB 0.463 38.407 38.000 -0.093 0.000 1.188 301 I HN 0.087 nan 8.210 nan 0.000 0.442 302 C N 1.406 120.472 119.300 -0.389 0.000 2.246 302 C HA 0.277 4.740 4.460 0.004 0.000 0.329 302 C C 0.631 175.474 174.990 -0.245 0.000 1.221 302 C CA -0.563 58.281 59.018 -0.291 0.000 1.697 302 C CB -1.272 26.392 27.740 -0.127 0.000 2.312 302 C HN 0.398 nan 8.230 nan 0.000 0.509 303 Y N 3.173 123.568 120.300 0.157 0.000 2.547 303 Y HA 0.299 4.851 4.550 0.004 0.000 0.325 303 Y C 0.715 176.697 175.900 0.137 0.000 1.165 303 Y CA -0.163 58.049 58.100 0.187 0.000 1.300 303 Y CB -0.187 38.441 38.460 0.280 0.000 1.126 303 Y HN 0.707 nan 8.280 nan 0.000 0.513 304 D N -1.688 118.814 120.400 0.169 0.000 2.886 304 D HA 0.174 4.816 4.640 0.004 0.000 0.216 304 D C 0.408 176.762 176.300 0.090 0.000 1.256 304 D CA -0.413 53.668 54.000 0.135 0.000 0.844 304 D CB 1.802 42.679 40.800 0.129 0.000 1.669 304 D HN -0.111 nan 8.370 nan 0.000 0.513 305 V N 3.124 123.091 119.914 0.088 0.000 2.407 305 V HA -0.136 3.987 4.120 0.004 0.000 0.248 305 V C 1.817 177.959 176.094 0.079 0.000 1.055 305 V CA 1.452 63.791 62.300 0.065 0.000 1.049 305 V CB -0.530 31.326 31.823 0.055 0.000 0.662 305 V HN 0.574 nan 8.190 nan 0.000 0.455 306 N N -0.115 118.644 118.700 0.098 0.000 2.354 306 N HA -0.081 4.662 4.740 0.004 0.000 0.179 306 N C 0.958 176.587 175.510 0.199 0.000 1.021 306 N CA 0.740 53.870 53.050 0.134 0.000 0.887 306 N CB -0.415 38.145 38.487 0.122 0.000 0.974 306 N HN 0.405 nan 8.380 nan 0.000 0.437 307 D N 2.083 122.559 120.400 0.126 0.000 2.598 307 D HA -0.072 4.571 4.640 0.004 0.000 0.231 307 D C 1.366 177.685 176.300 0.033 0.000 1.127 307 D CA -0.319 53.714 54.000 0.055 0.000 1.126 307 D CB -0.330 40.471 40.800 0.002 0.000 1.124 307 D HN 0.320 nan 8.370 nan 0.000 0.485 308 W N 1.912 123.213 121.300 0.000 0.000 2.363 308 W HA -0.198 4.464 4.660 0.005 0.000 0.296 308 W C 1.179 177.694 176.519 -0.007 0.000 1.212 308 W CA 0.389 57.730 57.345 -0.006 0.000 1.260 308 W CB -0.875 28.582 29.460 -0.004 0.000 1.131 308 W HN 0.266 nan 8.180 nan 0.000 0.530 309 Q N 0.578 119.885 119.800 -0.823 0.000 2.020 309 Q HA -0.249 4.094 4.340 0.004 0.000 0.202 309 Q C 2.391 178.197 176.000 -0.324 0.000 0.982 309 Q CA 2.467 57.809 55.803 -0.767 0.000 0.838 309 Q CB -0.548 27.633 28.738 -0.929 0.000 0.899 309 Q HN 0.145 nan 8.270 nan 0.000 0.423 310 M N 0.924 120.369 119.600 -0.259 0.000 2.226 310 M HA -0.255 4.228 4.480 0.004 0.000 0.257 310 M C 1.832 178.079 176.300 -0.090 0.000 1.070 310 M CA 1.845 57.058 55.300 -0.144 0.000 1.087 310 M CB -0.495 32.041 32.600 -0.105 0.000 1.278 310 M HN 0.196 nan 8.290 nan 0.000 0.426 311 L N -0.808 120.385 121.223 -0.050 0.000 2.012 311 L HA -0.222 4.121 4.340 0.004 0.000 0.210 311 L C 2.461 179.334 176.870 0.004 0.000 1.073 311 L CA 1.832 56.666 54.840 -0.010 0.000 0.748 311 L CB -1.112 40.966 42.059 0.031 0.000 0.891 311 L HN 0.366 nan 8.230 nan 0.000 0.431 312 E N 0.099 120.313 120.200 0.022 0.000 2.130 312 E HA -0.245 4.108 4.350 0.004 0.000 0.196 312 E C 2.225 178.828 176.600 0.006 0.000 0.998 312 E CA 1.405 57.832 56.400 0.046 0.000 0.806 312 E CB -0.059 29.689 29.700 0.080 0.000 0.738 312 E HN 0.272 nan 8.360 nan 0.000 0.459 313 M N -0.555 119.024 119.600 -0.035 0.000 2.374 313 M HA -0.063 4.419 4.480 0.004 0.000 0.264 313 M C 1.778 178.069 176.300 -0.015 0.000 1.067 313 M CA 0.995 56.272 55.300 -0.038 0.000 1.103 313 M CB -0.173 32.384 32.600 -0.072 0.000 1.402 313 M HN 0.232 nan 8.290 nan 0.000 0.444 314 L N -1.131 120.085 121.223 -0.012 0.000 2.416 314 L HA -0.068 4.275 4.340 0.004 0.000 0.216 314 L C 2.359 179.236 176.870 0.012 0.000 1.098 314 L CA 0.219 55.058 54.840 -0.002 0.000 0.840 314 L CB -0.320 41.728 42.059 -0.017 0.000 0.981 314 L HN 0.185 nan 8.230 nan 0.000 0.462 315 K N 0.743 121.153 120.400 0.017 0.000 2.071 315 K HA -0.232 4.091 4.320 0.004 0.000 0.217 315 K C -0.587 176.034 176.600 0.034 0.000 1.054 315 K CA 2.262 58.566 56.287 0.028 0.000 0.937 315 K CB -1.207 31.314 32.500 0.035 0.000 0.719 315 K HN 0.245 nan 8.250 nan 0.000 0.454 316 P HA -0.146 nan 4.420 nan 0.000 0.222 316 P C 1.124 178.442 177.300 0.030 0.000 1.142 316 P CA 1.270 64.389 63.100 0.031 0.000 0.788 316 P CB -0.214 31.504 31.700 0.029 0.000 0.767 317 C N -1.077 118.243 119.300 0.033 0.000 2.544 317 C HA -0.007 4.455 4.460 0.004 0.000 0.280 317 C C 2.893 177.910 174.990 0.045 0.000 1.295 317 C CA 0.060 59.100 59.018 0.038 0.000 1.702 317 C CB -1.406 26.362 27.740 0.046 0.000 2.090 317 C HN 0.087 nan 8.230 nan 0.000 0.493 318 V N 1.817 121.762 119.914 0.051 0.000 2.277 318 V HA -0.335 3.788 4.120 0.004 0.000 0.253 318 V C 2.428 178.601 176.094 0.132 0.000 1.067 318 V CA 2.423 64.771 62.300 0.079 0.000 1.047 318 V CB -0.936 30.924 31.823 0.062 0.000 0.649 318 V HN 0.621 nan 8.190 nan 0.000 0.447 319 E N -0.541 119.724 120.200 0.109 0.000 2.085 319 E HA -0.273 4.079 4.350 0.004 0.000 0.194 319 E C 1.977 178.566 176.600 -0.017 0.000 0.994 319 E CA 1.427 57.886 56.400 0.098 0.000 0.801 319 E CB -0.236 29.502 29.700 0.064 0.000 0.743 319 E HN 0.537 nan 8.360 nan 0.000 0.453 320 D N -0.562 119.827 120.400 -0.018 0.000 2.312 320 D HA -0.037 4.606 4.640 0.004 0.000 0.211 320 D C 1.706 177.957 176.300 -0.081 0.000 0.964 320 D CA 0.826 54.789 54.000 -0.062 0.000 0.877 320 D CB -0.029 40.753 40.800 -0.030 0.000 0.924 320 D HN 0.214 nan 8.370 nan 0.000 0.515 321 G N 0.306 109.093 108.800 -0.022 0.000 2.471 321 G HA2 -0.151 3.812 3.960 0.004 0.000 0.211 321 G HA3 -0.151 3.812 3.960 0.004 0.000 0.211 321 G C 1.020 175.916 174.900 -0.006 0.000 1.194 321 G CA 0.165 45.270 45.100 0.008 0.000 0.816 321 G HN 0.366 nan 8.290 nan 0.000 0.545 322 F N 2.176 122.103 119.950 -0.039 0.000 2.707 322 F HA 0.315 4.845 4.527 0.005 0.000 0.301 322 F C 0.893 176.661 175.800 -0.054 0.000 1.314 322 F CA -0.508 57.468 58.000 -0.040 0.000 1.443 322 F CB -0.399 38.583 39.000 -0.031 0.000 1.124 322 F HN -0.067 nan 8.300 nan 0.000 0.521 323 V N 0.649 120.388 119.914 -0.292 0.000 3.406 323 V HA 0.129 4.252 4.120 0.004 0.000 0.263 323 V C 0.781 176.787 176.094 -0.146 0.000 1.172 323 V CA 0.486 62.624 62.300 -0.270 0.000 1.140 323 V CB -0.594 31.040 31.823 -0.314 0.000 0.784 323 V HN 0.449 nan 8.190 nan 0.000 0.467 324 I N 0.259 120.783 120.570 -0.076 0.000 2.571 324 I HA 0.342 4.514 4.170 0.004 0.000 0.286 324 I C -0.389 175.746 176.117 0.029 0.000 1.134 324 I CA -0.085 61.196 61.300 -0.032 0.000 1.052 324 I CB 2.309 40.275 38.000 -0.057 0.000 1.237 324 I HN -0.048 nan 8.210 nan 0.000 0.435 325 Q N 5.771 125.596 119.800 0.041 0.000 2.217 325 Q HA 0.264 4.607 4.340 0.004 0.000 0.340 325 Q C -1.434 174.586 176.000 0.034 0.000 0.893 325 Q CA -0.259 55.575 55.803 0.052 0.000 1.142 325 Q CB 0.418 29.198 28.738 0.070 0.000 1.288 325 Q HN 0.677 nan 8.270 nan 0.000 0.426 326 D N -2.358 118.060 120.400 0.030 0.000 2.683 326 D HA 0.132 4.774 4.640 0.004 0.000 0.246 326 D C 0.091 176.407 176.300 0.026 0.000 1.238 326 D CA -0.633 53.382 54.000 0.025 0.000 0.759 326 D CB 0.668 41.481 40.800 0.021 0.000 1.349 326 D HN 0.000 nan 8.370 nan 0.000 0.426 327 R N 0.449 120.962 120.500 0.022 0.000 2.091 327 R HA -0.129 4.214 4.340 0.004 0.000 0.238 327 R C 1.616 177.929 176.300 0.021 0.000 1.136 327 R CA 1.779 57.890 56.100 0.019 0.000 0.959 327 R CB -0.055 30.253 30.300 0.014 0.000 0.856 327 R HN 0.591 nan 8.270 nan 0.000 0.437 328 E N -0.519 119.694 120.200 0.022 0.000 2.072 328 E HA -0.108 4.245 4.350 0.004 0.000 0.190 328 E C 1.851 178.472 176.600 0.035 0.000 0.982 328 E CA 1.704 58.119 56.400 0.024 0.000 0.803 328 E CB 0.025 29.738 29.700 0.021 0.000 0.755 328 E HN 0.412 nan 8.360 nan 0.000 0.453 329 T N -1.918 112.657 114.554 0.036 0.000 3.081 329 T HA 0.302 4.654 4.350 0.004 0.000 0.250 329 T C 1.791 176.535 174.700 0.073 0.000 1.100 329 T CA 0.388 62.517 62.100 0.048 0.000 1.038 329 T CB 0.387 69.271 68.868 0.027 0.000 0.962 329 T HN 0.109 nan 8.240 nan 0.000 0.516 330 A N 1.704 124.561 122.820 0.062 0.000 1.898 330 A HA 0.243 4.565 4.320 0.004 0.000 0.216 330 A C 2.123 179.762 177.584 0.092 0.000 1.181 330 A CA 1.004 53.090 52.037 0.082 0.000 0.620 330 A CB -0.711 18.320 19.000 0.052 0.000 0.819 330 A HN 0.478 nan 8.150 nan 0.000 0.442 331 L N -0.562 120.693 121.223 0.054 0.000 2.240 331 L HA -0.063 4.280 4.340 0.004 0.000 0.211 331 L C 2.021 178.930 176.870 0.065 0.000 1.106 331 L CA 1.575 56.436 54.840 0.035 0.000 0.793 331 L CB -0.373 41.693 42.059 0.012 0.000 0.927 331 L HN 0.407 nan 8.230 nan 0.000 0.446 332 D N -0.633 119.821 120.400 0.090 0.000 2.219 332 D HA -0.252 4.391 4.640 0.004 0.000 0.205 332 D C 1.868 178.270 176.300 0.169 0.000 0.970 332 D CA 0.611 54.674 54.000 0.105 0.000 0.851 332 D CB -0.001 40.852 40.800 0.087 0.000 0.943 332 D HN 0.208 nan 8.370 nan 0.000 0.488 333 F N 0.766 120.721 119.950 0.009 0.000 2.722 333 F HA 0.168 4.697 4.527 0.005 0.000 0.298 333 F C 0.061 175.872 175.800 0.019 0.000 1.175 333 F CA 0.249 58.254 58.000 0.008 0.000 1.462 333 F CB -0.332 38.667 39.000 -0.003 0.000 1.111 333 F HN -0.105 nan 8.300 nan 0.000 0.592 334 I N 0.969 121.520 120.570 -0.031 0.000 2.287 334 I HA 0.427 4.600 4.170 0.004 0.000 0.290 334 I C 0.675 176.800 176.117 0.014 0.000 1.069 334 I CA -0.038 61.206 61.300 -0.093 0.000 1.237 334 I CB 0.198 38.163 38.000 -0.058 0.000 1.418 334 I HN 0.094 nan 8.210 nan 0.000 0.481 346 E N 2.914 123.126 120.200 0.019 0.000 2.208 346 E HA -0.342 4.011 4.350 0.004 0.000 0.202 346 E C 1.229 177.844 176.600 0.026 0.000 1.014 346 E CA 2.278 58.691 56.400 0.021 0.000 0.819 346 E CB -0.304 29.405 29.700 0.015 0.000 0.735 346 E HN 0.280 nan 8.360 nan 0.000 0.469 347 K N 1.643 122.054 120.400 0.019 0.000 2.032 347 K HA -0.215 4.108 4.320 0.004 0.000 0.209 347 K C 2.365 178.992 176.600 0.045 0.000 1.048 347 K CA 2.075 58.373 56.287 0.017 0.000 0.927 347 K CB -0.584 31.910 32.500 -0.010 0.000 0.712 347 K HN 0.403 nan 8.250 nan 0.000 0.441 348 R N 0.459 120.989 120.500 0.051 0.000 2.246 348 R HA 0.179 4.522 4.340 0.004 0.000 0.199 348 R C 1.836 178.211 176.300 0.125 0.000 0.984 348 R CA 0.719 56.881 56.100 0.103 0.000 1.015 348 R CB -0.449 29.892 30.300 0.069 0.000 0.930 348 R HN 0.154 nan 8.270 nan 0.000 0.475 349 I N 1.591 122.207 120.570 0.078 0.000 2.286 349 I HA -0.177 3.996 4.170 0.004 0.000 0.245 349 I C 2.467 178.618 176.117 0.057 0.000 1.104 349 I CA 1.150 62.484 61.300 0.058 0.000 1.397 349 I CB -0.246 37.777 38.000 0.039 0.000 1.072 349 I HN 0.067 nan 8.210 nan 0.000 0.417 350 Q N -0.533 119.307 119.800 0.066 0.000 2.291 350 Q HA -0.201 4.142 4.340 0.004 0.000 0.205 350 Q C 2.054 178.115 176.000 0.102 0.000 0.970 350 Q CA 1.320 57.161 55.803 0.064 0.000 0.876 350 Q CB -0.321 28.450 28.738 0.055 0.000 0.935 350 Q HN 0.569 nan 8.270 nan 0.000 0.455 351 Y N 0.340 120.632 120.300 -0.014 0.000 2.314 351 Y HA -0.067 4.486 4.550 0.004 0.000 0.293 351 Y C 1.981 177.875 175.900 -0.011 0.000 1.129 351 Y CA 1.231 59.317 58.100 -0.022 0.000 1.201 351 Y CB -0.151 38.290 38.460 -0.032 0.000 0.999 351 Y HN 0.064 nan 8.280 nan 0.000 0.541 352 A N -0.121 122.672 122.820 -0.044 0.000 1.903 352 A HA -0.048 4.275 4.320 0.004 0.000 0.213 352 A C 2.242 179.769 177.584 -0.096 0.000 1.185 352 A CA 1.138 53.100 52.037 -0.124 0.000 0.628 352 A CB -0.553 18.417 19.000 -0.050 0.000 0.830 352 A HN 0.364 nan 8.150 nan 0.000 0.446 353 K N -0.320 120.054 120.400 -0.042 0.000 2.209 353 K HA -0.186 4.137 4.320 0.004 0.000 0.204 353 K C 0.922 177.508 176.600 -0.023 0.000 1.048 353 K CA 1.591 57.861 56.287 -0.028 0.000 0.940 353 K CB -0.103 32.395 32.500 -0.005 0.000 0.729 353 K HN 0.385 nan 8.250 nan 0.000 0.451 354 D N 0.567 120.949 120.400 -0.030 0.000 2.120 354 D HA -0.082 4.560 4.640 0.004 0.000 0.202 354 D C 1.872 178.162 176.300 -0.018 0.000 0.972 354 D CA 0.877 54.868 54.000 -0.015 0.000 0.837 354 D CB -0.073 40.723 40.800 -0.007 0.000 0.989 354 D HN 0.213 nan 8.370 nan 0.000 0.469 355 I N 0.358 120.880 120.570 -0.080 0.000 2.361 355 I HA -0.222 3.950 4.170 0.004 0.000 0.251 355 I C 1.543 177.678 176.117 0.030 0.000 1.133 355 I CA 0.561 61.834 61.300 -0.045 0.000 1.413 355 I CB 0.101 37.992 38.000 -0.181 0.000 1.073 355 I HN -0.055 nan 8.210 nan 0.000 0.424 356 L N -0.139 121.071 121.223 -0.022 0.000 2.645 356 L HA -0.038 4.305 4.340 0.004 0.000 0.235 356 L C 1.733 178.656 176.870 0.087 0.000 1.150 356 L CA 1.205 56.034 54.840 -0.019 0.000 0.911 356 L CB -0.354 41.596 42.059 -0.181 0.000 1.077 356 L HN 0.249 nan 8.230 nan 0.000 0.438 357 Q N -2.302 117.549 119.800 0.085 0.000 2.527 357 Q HA 0.096 4.438 4.340 0.004 0.000 0.252 357 Q C 1.809 177.857 176.000 0.081 0.000 0.827 357 Q CA -0.050 55.805 55.803 0.087 0.000 0.979 357 Q CB 0.398 29.171 28.738 0.058 0.000 1.248 357 Q HN 0.193 nan 8.270 nan 0.000 0.578 358 K N 0.532 120.976 120.400 0.074 0.000 2.007 358 K HA -0.062 4.261 4.320 0.004 0.000 0.206 358 K C 1.415 178.068 176.600 0.090 0.000 1.047 358 K CA 1.126 57.455 56.287 0.070 0.000 0.937 358 K CB 0.319 32.865 32.500 0.077 0.000 0.718 358 K HN 0.070 nan 8.250 nan 0.000 0.438 359 E N -0.550 119.726 120.200 0.126 0.000 2.364 359 E HA 0.032 4.385 4.350 0.004 0.000 0.203 359 E C 0.100 176.779 176.600 0.132 0.000 0.888 359 E CA -0.156 56.321 56.400 0.129 0.000 0.989 359 E CB 0.082 29.878 29.700 0.160 0.000 0.985 359 E HN 0.067 nan 8.360 nan 0.000 0.499 360 F N 2.356 122.314 119.950 0.013 0.000 2.472 360 F HA 0.176 4.706 4.527 0.005 0.000 0.364 360 F C 0.324 176.123 175.800 -0.002 0.000 1.090 360 F CA -0.626 57.378 58.000 0.006 0.000 1.188 360 F CB 0.251 39.243 39.000 -0.013 0.000 1.105 360 F HN -0.118 nan 8.300 nan 0.000 0.536 361 L N 7.565 128.442 121.223 -0.577 0.000 3.895 361 L HA -0.238 4.105 4.340 0.004 0.000 0.511 361 L C -1.876 174.853 176.870 -0.234 0.000 1.222 361 L CA 0.106 54.670 54.840 -0.460 0.000 0.739 361 L CB -1.178 40.442 42.059 -0.732 0.000 1.425 361 L HN 0.577 nan 8.230 nan 0.000 0.817 362 P HA -0.147 nan 4.420 nan 0.000 0.221 362 P C 0.734 178.031 177.300 -0.004 0.000 1.145 362 P CA 1.610 64.708 63.100 -0.004 0.000 0.795 362 P CB -0.076 31.653 31.700 0.048 0.000 0.775 363 H N -1.336 117.652 119.070 -0.136 0.000 2.211 363 H HA 0.155 4.714 4.556 0.005 0.000 0.327 363 H C 1.528 176.715 175.328 -0.235 0.000 1.722 363 H CA -0.281 55.668 56.048 -0.164 0.000 1.437 363 H CB -0.149 29.517 29.762 -0.161 0.000 1.716 363 H HN -0.216 nan 8.280 nan 0.000 0.618 364 I N -2.034 118.297 120.570 -0.398 0.000 4.701 364 I HA -0.390 3.782 4.170 0.004 0.000 0.046 364 I C 0.863 176.753 176.117 -0.378 0.000 0.626 364 I CA 2.414 63.429 61.300 -0.476 0.000 0.723 364 I CB -1.939 35.706 38.000 -0.591 0.000 0.675 364 I HN 0.871 nan 8.210 nan 0.000 0.157 365 T N -0.760 113.616 114.554 -0.297 0.000 2.749 365 T HA 0.445 4.798 4.350 0.004 0.000 0.310 365 T C -0.500 174.149 174.700 -0.085 0.000 1.496 365 T CA -0.190 61.783 62.100 -0.212 0.000 1.006 365 T CB 2.138 70.824 68.868 -0.302 0.000 1.457 365 T HN 0.364 nan 8.240 nan 0.000 0.497 366 Q N 1.368 121.153 119.800 -0.025 0.000 2.149 366 Q HA 0.392 4.734 4.340 0.004 0.000 0.221 366 Q C 0.756 176.785 176.000 0.048 0.000 0.807 366 Q CA -0.128 55.683 55.803 0.013 0.000 1.000 366 Q CB 0.619 29.359 28.738 0.003 0.000 1.157 366 Q HN 0.563 nan 8.270 nan 0.000 0.487 367 L N -0.338 120.937 121.223 0.087 0.000 2.437 367 L HA 0.147 4.490 4.340 0.004 0.000 0.199 367 L C 1.651 178.587 176.870 0.110 0.000 1.270 367 L CA 0.746 55.652 54.840 0.110 0.000 2.819 367 L CB 0.158 42.312 42.059 0.157 0.000 2.667 367 L HN 0.090 nan 8.230 nan 0.000 1.109 368 E N -1.667 118.612 120.200 0.133 0.000 3.027 368 E HA 0.026 4.379 4.350 0.004 0.000 0.221 368 E C 1.458 178.093 176.600 0.058 0.000 1.070 368 E CA 0.555 57.004 56.400 0.082 0.000 1.705 368 E CB 0.279 30.001 29.700 0.037 0.000 1.998 368 E HN 0.496 nan 8.360 nan 0.000 0.976 369 G N 1.043 109.830 108.800 -0.022 0.000 3.028 369 G HA2 0.068 4.030 3.960 0.004 0.000 0.205 369 G HA3 0.068 4.030 3.960 0.004 0.000 0.205 369 G C -0.262 174.318 174.900 -0.533 0.000 1.182 369 G CA 0.229 45.163 45.100 -0.277 0.000 0.860 369 G HN 0.038 nan 8.290 nan 0.000 0.507 370 F N -1.076 118.881 119.950 0.011 0.000 2.577 370 F HA 0.490 5.020 4.527 0.005 0.000 0.344 370 F C 0.495 176.306 175.800 0.017 0.000 1.145 370 F CA -0.875 57.132 58.000 0.012 0.000 0.996 370 F CB 2.353 41.352 39.000 -0.002 0.000 1.248 370 F HN -0.057 nan 8.300 nan 0.000 0.447 371 E N 0.185 120.477 120.200 0.154 0.000 2.414 371 E HA -0.009 4.344 4.350 0.004 0.000 0.208 371 E C 1.913 178.566 176.600 0.089 0.000 0.820 371 E CA 0.693 57.151 56.400 0.097 0.000 1.143 371 E CB 0.476 30.202 29.700 0.043 0.000 1.150 371 E HN 0.462 nan 8.360 nan 0.000 0.540 372 S N 0.160 115.936 115.700 0.126 0.000 2.470 372 S HA 0.071 4.544 4.470 0.004 0.000 0.225 372 S C 1.830 176.592 174.600 0.270 0.000 1.006 372 S CA -0.053 58.242 58.200 0.159 0.000 0.934 372 S CB 0.079 63.431 63.200 0.252 0.000 0.778 372 S HN -0.012 nan 8.310 nan 0.000 0.517 373 R N 2.026 122.663 120.500 0.227 0.000 2.080 373 R HA 0.036 4.379 4.340 0.004 0.000 0.236 373 R C 2.176 178.567 176.300 0.151 0.000 1.137 373 R CA 1.627 57.818 56.100 0.152 0.000 0.943 373 R CB -0.587 29.774 30.300 0.102 0.000 0.846 373 R HN 0.528 nan 8.270 nan 0.000 0.431 374 K N 0.074 120.561 120.400 0.145 0.000 2.097 374 K HA -0.004 4.319 4.320 0.004 0.000 0.205 374 K C 2.178 178.930 176.600 0.252 0.000 1.050 374 K CA 1.097 57.502 56.287 0.198 0.000 0.938 374 K CB -0.137 32.530 32.500 0.278 0.000 0.718 374 K HN 0.123 nan 8.250 nan 0.000 0.442 375 A N 1.349 124.238 122.820 0.115 0.000 1.841 375 A HA -0.191 4.132 4.320 0.004 0.000 0.216 375 A C 1.991 179.670 177.584 0.159 0.000 1.199 375 A CA 1.461 53.472 52.037 -0.044 0.000 0.621 375 A CB -1.072 17.707 19.000 -0.369 0.000 0.835 375 A HN 0.228 nan 8.150 nan 0.000 0.445 376 F N -1.691 118.409 119.950 0.249 0.000 2.115 376 F HA -0.242 4.288 4.527 0.004 0.000 0.300 376 F C 2.107 178.321 175.800 0.689 0.000 1.092 376 F CA 1.981 60.265 58.000 0.474 0.000 1.245 376 F CB -0.416 38.635 39.000 0.087 0.000 0.995 376 F HN 0.333 nan 8.300 nan 0.000 0.481 377 F N 0.057 120.378 119.950 0.619 0.000 2.060 377 F HA -0.206 4.323 4.527 0.004 0.000 0.295 377 F C 2.254 178.361 175.800 0.512 0.000 1.120 377 F CA 1.334 59.693 58.000 0.598 0.000 1.205 377 F CB -0.792 38.399 39.000 0.319 0.000 0.986 377 F HN -0.110 nan 8.300 nan 0.000 0.470 378 L N 0.547 122.062 121.223 0.487 0.000 2.129 378 L HA -0.095 4.247 4.340 0.004 0.000 0.212 378 L C 2.307 179.372 176.870 0.325 0.000 1.087 378 L CA 2.226 57.239 54.840 0.289 0.000 0.757 378 L CB -1.474 40.653 42.059 0.113 0.000 0.896 378 L HN 0.215 nan 8.230 nan 0.000 0.434 379 G N -1.708 107.406 108.800 0.524 0.000 2.404 379 G HA2 -0.370 3.593 3.960 0.004 0.000 0.215 379 G HA3 -0.370 3.593 3.960 0.004 0.000 0.215 379 G C 1.564 176.762 174.900 0.495 0.000 1.174 379 G CA 0.856 46.328 45.100 0.619 0.000 0.780 379 G HN 0.561 nan 8.290 nan 0.000 0.537 380 Y N 0.784 121.370 120.300 0.476 0.000 2.274 380 Y HA 0.010 4.563 4.550 0.004 0.000 0.290 380 Y C 2.814 178.757 175.900 0.072 0.000 1.145 380 Y CA 1.458 59.757 58.100 0.332 0.000 1.203 380 Y CB -0.063 38.526 38.460 0.215 0.000 0.984 380 Y HN 0.129 nan 8.280 nan 0.000 0.533 381 M N -0.733 118.906 119.600 0.065 0.000 2.117 381 M HA -0.223 4.260 4.480 0.004 0.000 0.262 381 M C 1.758 178.042 176.300 -0.025 0.000 1.065 381 M CA 1.251 56.528 55.300 -0.040 0.000 1.114 381 M CB -0.255 32.367 32.600 0.036 0.000 1.361 381 M HN 0.273 nan 8.290 nan 0.000 0.408 382 I N 0.035 120.647 120.570 0.070 0.000 2.252 382 I HA -0.251 3.921 4.170 0.004 0.000 0.245 382 I C 2.044 178.155 176.117 -0.009 0.000 1.102 382 I CA 1.429 62.765 61.300 0.061 0.000 1.385 382 I CB -2.020 36.067 38.000 0.144 0.000 1.064 382 I HN 0.362 nan 8.210 nan 0.000 0.414 383 N N 1.417 120.111 118.700 -0.010 0.000 2.061 383 N HA -0.225 4.517 4.740 0.004 0.000 0.193 383 N C 1.983 177.413 175.510 -0.134 0.000 1.030 383 N CA 1.569 54.589 53.050 -0.051 0.000 0.856 383 N CB -0.010 38.509 38.487 0.053 0.000 1.023 383 N HN 0.084 nan 8.380 nan 0.000 0.424 384 R N 0.019 120.367 120.500 -0.254 0.000 2.092 384 R HA -0.049 4.294 4.340 0.004 0.000 0.231 384 R C 2.135 178.338 176.300 -0.161 0.000 1.119 384 R CA 0.561 56.495 56.100 -0.276 0.000 0.970 384 R CB -1.087 28.968 30.300 -0.408 0.000 0.864 384 R HN 0.385 nan 8.270 nan 0.000 0.440 385 L N 0.829 121.982 121.223 -0.117 0.000 2.005 385 L HA -0.100 4.243 4.340 0.004 0.000 0.207 385 L C 2.093 178.890 176.870 -0.122 0.000 1.072 385 L CA 1.562 56.356 54.840 -0.077 0.000 0.744 385 L CB -0.328 41.712 42.059 -0.031 0.000 0.895 385 L HN 0.047 nan 8.230 nan 0.000 0.433 386 L N -1.233 119.918 121.223 -0.120 0.000 2.217 386 L HA -0.136 4.207 4.340 0.004 0.000 0.211 386 L C 2.361 179.146 176.870 -0.141 0.000 1.107 386 L CA 0.010 54.760 54.840 -0.151 0.000 0.783 386 L CB -0.765 41.228 42.059 -0.109 0.000 0.919 386 L HN 0.280 nan 8.230 nan 0.000 0.442 387 L N -0.158 120.998 121.223 -0.112 0.000 2.187 387 L HA -0.263 4.080 4.340 0.004 0.000 0.213 387 L C 2.400 179.221 176.870 -0.080 0.000 1.100 387 L CA 1.674 56.460 54.840 -0.090 0.000 0.765 387 L CB -0.920 41.087 42.059 -0.086 0.000 0.904 387 L HN 0.485 nan 8.230 nan 0.000 0.437 388 C N -1.766 117.482 119.300 -0.086 0.000 2.700 388 C HA 0.294 4.756 4.460 0.004 0.000 0.297 388 C C 2.857 177.810 174.990 -0.062 0.000 1.293 388 C CA 0.348 59.350 59.018 -0.026 0.000 1.756 388 C CB -0.543 27.228 27.740 0.053 0.000 2.210 388 C HN 0.526 nan 8.230 nan 0.000 0.553 389 A N 0.593 123.209 122.820 -0.341 0.000 2.019 389 A HA 0.060 4.383 4.320 0.004 0.000 0.219 389 A C 1.884 179.344 177.584 -0.207 0.000 1.164 389 A CA 1.266 52.950 52.037 -0.589 0.000 0.644 389 A CB -0.566 18.023 19.000 -0.685 0.000 0.805 389 A HN 0.663 nan 8.150 nan 0.000 0.449 390 L N -0.643 120.491 121.223 -0.148 0.000 2.591 390 L HA 0.040 4.382 4.340 0.004 0.000 0.228 390 L C -0.283 176.553 176.870 -0.058 0.000 1.133 390 L CA -0.088 54.689 54.840 -0.105 0.000 0.880 390 L CB -0.353 41.628 42.059 -0.129 0.000 1.033 390 L HN 0.248 nan 8.230 nan 0.000 0.450 391 D N 0.826 121.212 120.400 -0.024 0.000 2.697 391 D HA -0.239 4.403 4.640 0.004 0.000 0.235 391 D C 1.201 177.495 176.300 -0.010 0.000 1.167 391 D CA 0.724 54.728 54.000 0.007 0.000 0.656 391 D CB -0.441 40.371 40.800 0.019 0.000 1.025 391 D HN 0.380 nan 8.370 nan 0.000 0.419 392 R N -0.549 119.938 120.500 -0.022 0.000 2.344 392 R HA 0.104 4.447 4.340 0.004 0.000 0.209 392 R C 0.408 176.700 176.300 -0.013 0.000 0.886 392 R CA 0.148 56.235 56.100 -0.022 0.000 1.040 392 R CB 0.612 30.889 30.300 -0.038 0.000 1.114 392 R HN -0.097 nan 8.270 nan 0.000 0.547 393 K N 0.167 120.559 120.400 -0.012 0.000 2.435 393 K HA 0.234 4.557 4.320 0.004 0.000 0.251 393 K C -1.423 175.182 176.600 0.008 0.000 0.954 393 K CA -0.735 55.548 56.287 -0.007 0.000 0.820 393 K CB 1.760 34.246 32.500 -0.023 0.000 1.292 393 K HN -0.134 nan 8.250 nan 0.000 0.436 394 D N 1.395 121.802 120.400 0.012 0.000 2.360 394 D HA 0.005 4.647 4.640 0.004 0.000 0.242 394 D C -0.268 176.048 176.300 0.027 0.000 1.184 394 D CA 0.074 54.089 54.000 0.026 0.000 0.930 394 D CB 0.948 41.766 40.800 0.029 0.000 1.161 394 D HN 0.446 nan 8.370 nan 0.000 0.447 395 Q N 0.732 120.559 119.800 0.046 0.000 2.474 395 Q HA -0.006 4.337 4.340 0.004 0.000 0.256 395 Q C -0.522 175.510 176.000 0.053 0.000 1.048 395 Q CA -0.088 55.748 55.803 0.055 0.000 0.922 395 Q CB 0.667 29.456 28.738 0.086 0.000 1.288 395 Q HN 0.325 nan 8.270 nan 0.000 0.484 396 D N 1.780 122.198 120.400 0.030 0.000 2.345 396 D HA 0.021 4.663 4.640 0.004 0.000 0.247 396 D C -0.942 175.481 176.300 0.205 0.000 1.108 396 D CA 0.100 54.123 54.000 0.038 0.000 0.894 396 D CB 0.891 41.603 40.800 -0.146 0.000 1.203 396 D HN 0.455 nan 8.370 nan 0.000 0.430 397 D N 1.456 121.951 120.400 0.157 0.000 2.347 397 D HA 0.080 4.723 4.640 0.004 0.000 0.235 397 D C 0.857 177.249 176.300 0.153 0.000 1.149 397 D CA -0.273 53.826 54.000 0.164 0.000 0.850 397 D CB 0.621 41.534 40.800 0.188 0.000 1.061 397 D HN 0.224 nan 8.370 nan 0.000 0.487 398 R N 1.939 122.512 120.500 0.121 0.000 2.235 398 R HA 0.020 4.362 4.340 0.004 0.000 0.213 398 R C 0.130 176.434 176.300 0.007 0.000 1.059 398 R CA 0.679 56.823 56.100 0.073 0.000 0.997 398 R CB 0.387 30.656 30.300 -0.052 0.000 0.884 398 R HN 0.327 nan 8.270 nan 0.000 0.462 399 D N -0.152 120.199 120.400 -0.081 0.000 2.525 399 D HA -0.005 4.638 4.640 0.004 0.000 0.229 399 D C -0.376 175.668 176.300 -0.426 0.000 1.202 399 D CA 0.050 53.929 54.000 -0.201 0.000 0.828 399 D CB 0.073 40.716 40.800 -0.262 0.000 1.008 399 D HN 0.171 nan 8.370 nan 0.000 0.493 400 H N 0.683 119.598 119.070 -0.257 0.000 2.723 400 H HA 0.005 4.563 4.556 0.005 0.000 0.294 400 H C 0.420 175.798 175.328 0.084 0.000 1.079 400 H CA -0.348 55.632 56.048 -0.113 0.000 1.411 400 H CB 0.449 30.212 29.762 0.002 0.000 1.439 400 H HN -0.045 nan 8.280 nan 0.000 0.474 401 F N 3.676 123.652 119.950 0.043 0.000 2.408 401 F HA -0.009 4.521 4.527 0.004 0.000 0.300 401 F C 2.194 178.064 175.800 0.116 0.000 1.090 401 F CA 1.323 59.379 58.000 0.093 0.000 1.427 401 F CB -0.095 38.955 39.000 0.084 0.000 1.070 401 F HN 0.705 nan 8.300 nan 0.000 0.549 402 G N -0.646 108.348 108.800 0.323 0.000 2.848 402 G HA2 -0.107 3.856 3.960 0.004 0.000 0.208 402 G HA3 -0.107 3.856 3.960 0.004 0.000 0.208 402 G C 1.236 176.084 174.900 -0.088 0.000 1.152 402 G CA 0.110 45.279 45.100 0.113 0.000 0.789 402 G HN 0.333 nan 8.290 nan 0.000 0.531 403 K N -0.230 120.137 120.400 -0.055 0.000 2.564 403 K HA 0.176 4.499 4.320 0.004 0.000 0.201 403 K C -0.015 176.521 176.600 -0.108 0.000 1.086 403 K CA -0.125 56.094 56.287 -0.114 0.000 1.062 403 K CB 0.866 33.320 32.500 -0.077 0.000 0.849 403 K HN 0.136 nan 8.250 nan 0.000 0.529 404 K N 1.007 121.292 120.400 -0.193 0.000 2.221 404 K HA 0.466 4.789 4.320 0.004 0.000 0.243 404 K C -0.268 176.153 176.600 -0.298 0.000 0.968 404 K CA -1.114 55.041 56.287 -0.219 0.000 0.846 404 K CB 1.719 34.070 32.500 -0.249 0.000 1.141 404 K HN -0.214 nan 8.250 nan 0.000 0.434 405 R N 1.246 121.624 120.500 -0.203 0.000 2.803 405 R HA 0.506 4.849 4.340 0.004 0.000 0.276 405 R C -0.563 175.650 176.300 -0.146 0.000 0.978 405 R CA -0.885 55.107 56.100 -0.179 0.000 0.939 405 R CB 1.096 31.339 30.300 -0.096 0.000 1.179 405 R HN 0.542 nan 8.270 nan 0.000 0.472 406 L N 1.811 122.959 121.223 -0.126 0.000 2.295 406 L HA 0.347 4.689 4.340 0.004 0.000 0.285 406 L C -0.205 176.636 176.870 -0.048 0.000 1.035 406 L CA -0.641 54.154 54.840 -0.075 0.000 0.806 406 L CB 1.366 43.388 42.059 -0.062 0.000 1.214 406 L HN 0.263 nan 8.230 nan 0.000 0.426 407 D N 4.077 124.453 120.400 -0.041 0.000 2.396 407 D HA 0.291 4.934 4.640 0.004 0.000 0.225 407 D C -0.040 176.237 176.300 -0.040 0.000 1.121 407 D CA -0.248 53.736 54.000 -0.027 0.000 0.853 407 D CB 1.702 42.493 40.800 -0.016 0.000 1.043 407 D HN 0.124 nan 8.370 nan 0.000 0.500 408 L N 1.251 122.462 121.223 -0.020 0.000 2.488 408 L HA 0.304 4.647 4.340 0.004 0.000 0.249 408 L C 1.955 178.826 176.870 0.002 0.000 1.151 408 L CA -0.218 54.612 54.840 -0.015 0.000 0.806 408 L CB 0.506 42.567 42.059 0.004 0.000 1.261 408 L HN 0.354 nan 8.230 nan 0.000 0.484 409 A N 1.097 123.940 122.820 0.038 0.000 1.927 409 A HA -0.194 4.129 4.320 0.004 0.000 0.220 409 A C 1.954 179.611 177.584 0.123 0.000 1.185 409 A CA 2.133 54.240 52.037 0.117 0.000 0.639 409 A CB -1.185 17.956 19.000 0.235 0.000 0.820 409 A HN 0.917 nan 8.150 nan 0.000 0.451 410 G N -0.129 108.738 108.800 0.112 0.000 2.736 410 G HA2 -0.156 3.807 3.960 0.004 0.000 0.214 410 G HA3 -0.156 3.807 3.960 0.004 0.000 0.214 410 G C -0.319 174.513 174.900 -0.114 0.000 1.327 410 G CA 1.240 46.339 45.100 -0.001 0.000 0.818 410 G HN 0.459 nan 8.290 nan 0.000 0.611 411 P HA -0.071 nan 4.420 nan 0.000 0.219 411 P C 1.903 179.240 177.300 0.063 0.000 1.144 411 P CA 0.734 63.854 63.100 0.035 0.000 0.806 411 P CB -0.073 31.653 31.700 0.044 0.000 0.771 412 L N -1.797 119.470 121.223 0.074 0.000 2.007 412 L HA -0.141 4.201 4.340 0.004 0.000 0.205 412 L C 2.440 179.547 176.870 0.395 0.000 1.073 412 L CA 1.331 56.327 54.840 0.260 0.000 0.744 412 L CB -0.980 41.109 42.059 0.050 0.000 0.898 412 L HN -0.081 nan 8.230 nan 0.000 0.435 413 L N -0.471 120.835 121.223 0.138 0.000 2.042 413 L HA -0.260 4.083 4.340 0.004 0.000 0.210 413 L C 2.814 179.569 176.870 -0.191 0.000 1.076 413 L CA 1.300 56.064 54.840 -0.127 0.000 0.749 413 L CB -0.741 40.927 42.059 -0.652 0.000 0.893 413 L HN 0.294 nan 8.230 nan 0.000 0.432 414 A N 0.395 123.062 122.820 -0.255 0.000 1.902 414 A HA -0.271 4.051 4.320 0.004 0.000 0.217 414 A C 2.221 179.911 177.584 0.176 0.000 1.181 414 A CA 1.902 53.991 52.037 0.087 0.000 0.623 414 A CB -0.558 18.537 19.000 0.157 0.000 0.818 414 A HN 0.663 nan 8.150 nan 0.000 0.443 415 Q N -1.037 118.837 119.800 0.123 0.000 2.311 415 Q HA 0.177 4.519 4.340 0.004 0.000 0.203 415 Q C 1.776 177.807 176.000 0.052 0.000 0.954 415 Q CA 1.137 57.008 55.803 0.113 0.000 0.885 415 Q CB -0.338 28.471 28.738 0.118 0.000 0.963 415 Q HN 0.519 nan 8.270 nan 0.000 0.471 416 L N -0.574 120.642 121.223 -0.012 0.000 2.270 416 L HA 0.096 4.439 4.340 0.004 0.000 0.210 416 L C 1.819 178.663 176.870 -0.043 0.000 1.104 416 L CA 0.567 55.302 54.840 -0.176 0.000 0.804 416 L CB -0.010 41.742 42.059 -0.512 0.000 0.937 416 L HN 0.239 nan 8.230 nan 0.000 0.450 417 F N 0.144 120.068 119.950 -0.044 0.000 2.187 417 F HA -0.121 4.409 4.527 0.004 0.000 0.295 417 F C 2.354 178.205 175.800 0.086 0.000 1.091 417 F CA 1.271 59.294 58.000 0.039 0.000 1.308 417 F CB -0.006 39.089 39.000 0.159 0.000 1.030 417 F HN -0.138 nan 8.300 nan 0.000 0.487 418 K N -0.342 120.211 120.400 0.255 0.000 2.015 418 K HA -0.223 4.099 4.320 0.004 0.000 0.216 418 K C 1.901 178.539 176.600 0.063 0.000 1.052 418 K CA 2.485 58.885 56.287 0.188 0.000 0.937 418 K CB -0.724 31.873 32.500 0.161 0.000 0.719 418 K HN 0.261 nan 8.250 nan 0.000 0.446 419 T N 1.798 116.352 114.554 0.000 0.000 2.746 419 T HA -0.119 4.234 4.350 0.004 0.000 0.267 419 T C 1.952 176.582 174.700 -0.116 0.000 1.039 419 T CA 1.083 63.150 62.100 -0.056 0.000 1.142 419 T CB -0.147 68.676 68.868 -0.076 0.000 0.866 419 T HN 0.110 nan 8.240 nan 0.000 0.444 420 L N -0.359 120.761 121.223 -0.171 0.000 2.044 420 L HA 0.072 4.415 4.340 0.004 0.000 0.205 420 L C 2.276 178.995 176.870 -0.252 0.000 1.075 420 L CA 1.066 55.768 54.840 -0.231 0.000 0.747 420 L CB -0.431 41.457 42.059 -0.285 0.000 0.903 420 L HN 0.180 nan 8.230 nan 0.000 0.435 421 F N 0.901 120.553 119.950 -0.496 0.000 2.171 421 F HA -0.225 4.304 4.527 0.004 0.000 0.300 421 F C 2.460 178.113 175.800 -0.244 0.000 1.090 421 F CA 1.602 59.331 58.000 -0.452 0.000 1.293 421 F CB -0.150 38.534 39.000 -0.526 0.000 1.013 421 F HN -0.128 nan 8.300 nan 0.000 0.486 422 K N 0.340 120.565 120.400 -0.291 0.000 2.217 422 K HA -0.149 4.174 4.320 0.004 0.000 0.202 422 K C 2.294 178.743 176.600 -0.252 0.000 1.051 422 K CA 0.746 56.852 56.287 -0.303 0.000 0.952 422 K CB -0.101 32.328 32.500 -0.118 0.000 0.736 422 K HN 0.207 nan 8.250 nan 0.000 0.453 423 K N 0.879 121.153 120.400 -0.211 0.000 2.062 423 K HA -0.113 4.209 4.320 0.004 0.000 0.205 423 K C 2.109 178.601 176.600 -0.179 0.000 1.051 423 K CA 0.971 57.158 56.287 -0.167 0.000 0.941 423 K CB -0.041 32.372 32.500 -0.146 0.000 0.719 423 K HN 0.199 nan 8.250 nan 0.000 0.440 424 L N 0.568 121.650 121.223 -0.234 0.000 2.217 424 L HA -0.079 4.264 4.340 0.004 0.000 0.211 424 L C 2.147 178.885 176.870 -0.219 0.000 1.107 424 L CA 1.354 56.068 54.840 -0.210 0.000 0.783 424 L CB -0.279 41.653 42.059 -0.212 0.000 0.919 424 L HN 0.080 nan 8.230 nan 0.000 0.442 425 T N -0.110 114.225 114.554 -0.365 0.000 2.951 425 T HA -0.142 4.211 4.350 0.004 0.000 0.268 425 T C 1.669 176.337 174.700 -0.053 0.000 1.073 425 T CA 1.553 63.492 62.100 -0.269 0.000 1.134 425 T CB -0.024 68.535 68.868 -0.514 0.000 0.884 425 T HN 0.609 nan 8.240 nan 0.000 0.479 426 K N -0.561 119.790 120.400 -0.081 0.000 2.374 426 K HA 0.170 4.492 4.320 0.004 0.000 0.196 426 K C 1.036 177.658 176.600 0.037 0.000 1.023 426 K CA 0.420 56.697 56.287 -0.017 0.000 1.103 426 K CB 0.346 32.787 32.500 -0.099 0.000 0.848 426 K HN 0.046 nan 8.250 nan 0.000 0.528 427 D N 0.911 121.319 120.400 0.013 0.000 2.305 427 D HA 0.017 4.659 4.640 0.004 0.000 0.206 427 D C 1.586 177.947 176.300 0.102 0.000 0.974 427 D CA 0.365 54.387 54.000 0.037 0.000 0.871 427 D CB 0.231 41.020 40.800 -0.019 0.000 0.947 427 D HN 0.155 nan 8.370 nan 0.000 0.516 428 I N 0.170 120.809 120.570 0.114 0.000 2.277 428 I HA -0.146 4.026 4.170 0.004 0.000 0.243 428 I C 2.131 178.370 176.117 0.204 0.000 1.094 428 I CA 0.605 62.002 61.300 0.162 0.000 1.393 428 I CB -0.981 37.115 38.000 0.160 0.000 1.078 428 I HN -0.050 nan 8.210 nan 0.000 0.417 429 F N 1.942 121.923 119.950 0.051 0.000 2.063 429 F HA -0.290 4.240 4.527 0.004 0.000 0.298 429 F C 2.785 178.609 175.800 0.040 0.000 1.109 429 F CA 1.896 59.916 58.000 0.033 0.000 1.212 429 F CB -0.163 38.843 39.000 0.010 0.000 0.973 429 F HN -0.011 nan 8.300 nan 0.000 0.480 430 R N -1.790 118.891 120.500 0.302 0.000 2.189 430 R HA -0.179 4.164 4.340 0.004 0.000 0.218 430 R C 1.887 178.280 176.300 0.155 0.000 1.074 430 R CA 1.160 57.380 56.100 0.199 0.000 0.991 430 R CB -0.494 29.898 30.300 0.153 0.000 0.883 430 R HN 0.426 nan 8.270 nan 0.000 0.457 431 Y N 0.058 120.380 120.300 0.037 0.000 2.475 431 Y HA 0.024 4.576 4.550 0.005 0.000 0.289 431 Y C 2.043 177.933 175.900 -0.017 0.000 1.121 431 Y CA 0.842 58.949 58.100 0.011 0.000 1.257 431 Y CB 0.166 38.635 38.460 0.015 0.000 1.026 431 Y HN -0.122 nan 8.280 nan 0.000 0.555 432 M N -0.482 119.103 119.600 -0.025 0.000 2.236 432 M HA -0.163 4.319 4.480 0.004 0.000 0.266 432 M C 1.969 178.155 176.300 -0.190 0.000 1.070 432 M CA 1.454 56.664 55.300 -0.150 0.000 1.137 432 M CB 0.094 32.589 32.600 -0.175 0.000 1.378 432 M HN 0.242 nan 8.290 nan 0.000 0.426 433 Q N -0.409 119.305 119.800 -0.142 0.000 2.084 433 Q HA -0.149 4.194 4.340 0.004 0.000 0.202 433 Q C 1.686 177.630 176.000 -0.094 0.000 0.978 433 Q CA 1.267 57.011 55.803 -0.099 0.000 0.844 433 Q CB -0.109 28.628 28.738 -0.002 0.000 0.898 433 Q HN 0.467 nan 8.270 nan 0.000 0.426 434 R N -0.126 120.309 120.500 -0.109 0.000 2.313 434 R HA 0.034 4.376 4.340 0.004 0.000 0.199 434 R C 1.780 177.972 176.300 -0.180 0.000 0.958 434 R CA 0.694 56.724 56.100 -0.116 0.000 1.047 434 R CB 0.190 30.439 30.300 -0.085 0.000 0.955 434 R HN 0.217 nan 8.270 nan 0.000 0.481 435 T N 0.448 114.861 114.554 -0.236 0.000 2.737 435 T HA -0.112 4.241 4.350 0.004 0.000 0.265 435 T C 1.500 176.119 174.700 -0.135 0.000 1.038 435 T CA 1.568 63.532 62.100 -0.226 0.000 1.144 435 T CB -0.293 68.428 68.868 -0.244 0.000 0.866 435 T HN 0.271 nan 8.240 nan 0.000 0.434 436 V N -0.991 118.855 119.914 -0.113 0.000 2.055 436 V HA -0.297 3.825 4.120 0.004 0.000 0.094 436 V C -0.160 175.894 176.094 -0.068 0.000 0.455 436 V CA 1.660 63.912 62.300 -0.080 0.000 1.372 436 V CB -2.654 29.133 31.823 -0.060 0.000 1.621 436 V HN 0.632 nan 8.190 nan 0.000 0.901 447 A N 4.998 127.793 122.820 -0.041 0.000 2.364 447 A HA -0.201 4.121 4.320 0.004 0.000 0.288 447 A C 0.080 177.428 177.584 -0.393 0.000 1.433 447 A CA 1.729 53.645 52.037 -0.201 0.000 0.757 447 A CB -2.238 16.636 19.000 -0.211 0.000 1.098 447 A HN 0.644 nan 8.150 nan 0.000 0.380 448 I N -0.146 120.312 120.570 -0.186 0.000 2.385 448 I HA 0.196 4.368 4.170 0.004 0.000 0.294 448 I C 0.837 176.879 176.117 -0.125 0.000 0.988 448 I CA -0.665 60.540 61.300 -0.158 0.000 1.265 448 I CB 1.386 39.352 38.000 -0.057 0.000 1.388 448 I HN 0.403 nan 8.210 nan 0.000 0.480 449 N N 4.844 123.465 118.700 -0.131 0.000 3.178 449 N HA 0.194 4.937 4.740 0.004 0.000 0.300 449 N C 0.942 176.385 175.510 -0.111 0.000 1.242 449 N CA 0.003 52.992 53.050 -0.100 0.000 1.192 449 N CB 0.573 39.005 38.487 -0.090 0.000 1.463 449 N HN 0.727 nan 8.380 nan 0.000 0.539 450 A N 2.104 124.846 122.820 -0.129 0.000 2.076 450 A HA -0.166 4.156 4.320 0.004 0.000 0.220 450 A C 2.161 179.648 177.584 -0.162 0.000 1.160 450 A CA 0.940 52.838 52.037 -0.233 0.000 0.653 450 A CB -0.409 18.337 19.000 -0.422 0.000 0.801 450 A HN 0.521 nan 8.150 nan 0.000 0.455 451 K N 0.033 120.388 120.400 -0.075 0.000 2.160 451 K HA -0.178 4.144 4.320 0.004 0.000 0.206 451 K C 1.753 178.315 176.600 -0.063 0.000 1.047 451 K CA 2.045 58.309 56.287 -0.039 0.000 0.930 451 K CB -0.563 31.929 32.500 -0.014 0.000 0.720 451 K HN 0.550 nan 8.250 nan 0.000 0.450 452 T N 2.105 116.604 114.554 -0.092 0.000 2.545 452 T HA -0.142 4.210 4.350 0.004 0.000 0.261 452 T C 2.043 176.669 174.700 -0.122 0.000 1.097 452 T CA 1.640 63.676 62.100 -0.107 0.000 1.189 452 T CB -0.335 68.457 68.868 -0.125 0.000 0.863 452 T HN 0.191 nan 8.240 nan 0.000 0.405 453 I N 1.263 121.737 120.570 -0.161 0.000 2.335 453 I HA -0.218 3.955 4.170 0.004 0.000 0.251 453 I C 2.688 178.746 176.117 -0.098 0.000 1.129 453 I CA 1.202 62.398 61.300 -0.173 0.000 1.402 453 I CB -0.873 36.988 38.000 -0.233 0.000 1.069 453 I HN 0.345 nan 8.210 nan 0.000 0.424 454 T N 0.354 114.854 114.554 -0.090 0.000 2.614 454 T HA -0.169 4.184 4.350 0.004 0.000 0.263 454 T C 1.882 176.582 174.700 0.000 0.000 1.055 454 T CA 2.182 64.267 62.100 -0.025 0.000 1.162 454 T CB -0.218 68.651 68.868 0.002 0.000 0.863 454 T HN 0.510 nan 8.240 nan 0.000 0.414 455 S N 0.302 115.998 115.700 -0.006 0.000 2.575 455 S HA 0.261 4.734 4.470 0.004 0.000 0.215 455 S C 2.068 176.681 174.600 0.020 0.000 0.966 455 S CA 0.555 58.767 58.200 0.021 0.000 0.911 455 S CB 0.031 63.248 63.200 0.028 0.000 0.780 455 S HN 0.462 nan 8.310 nan 0.000 0.514 456 G N 1.877 110.660 108.800 -0.028 0.000 2.411 456 G HA2 0.129 4.091 3.960 0.004 0.000 0.213 456 G HA3 0.129 4.091 3.960 0.004 0.000 0.213 456 G C 1.280 176.149 174.900 -0.053 0.000 1.166 456 G CA 0.211 45.278 45.100 -0.056 0.000 0.802 456 G HN 0.472 nan 8.290 nan 0.000 0.533 457 L N -0.249 120.943 121.223 -0.051 0.000 2.275 457 L HA 0.033 4.376 4.340 0.004 0.000 0.215 457 L C 2.849 179.711 176.870 -0.013 0.000 1.119 457 L CA 0.797 55.605 54.840 -0.052 0.000 0.790 457 L CB -0.085 41.982 42.059 0.014 0.000 0.919 457 L HN 0.200 nan 8.230 nan 0.000 0.443 458 K N -1.054 119.364 120.400 0.031 0.000 2.021 458 K HA -0.184 4.138 4.320 0.004 0.000 0.205 458 K C 2.056 178.704 176.600 0.080 0.000 1.047 458 K CA 1.165 57.486 56.287 0.056 0.000 0.943 458 K CB -0.219 32.320 32.500 0.064 0.000 0.725 458 K HN 0.098 nan 8.250 nan 0.000 0.439 459 Y N 1.335 121.623 120.300 -0.020 0.000 2.114 459 Y HA -0.344 4.208 4.550 0.005 0.000 0.282 459 Y C 2.040 177.948 175.900 0.013 0.000 1.165 459 Y CA 1.836 59.932 58.100 -0.007 0.000 1.148 459 Y CB -0.214 38.229 38.460 -0.029 0.000 0.972 459 Y HN 0.099 nan 8.280 nan 0.000 0.504 460 A N -0.367 122.564 122.820 0.186 0.000 1.898 460 A HA -0.160 4.163 4.320 0.004 0.000 0.216 460 A C 2.004 179.762 177.584 0.290 0.000 1.181 460 A CA 1.697 53.814 52.037 0.134 0.000 0.620 460 A CB -0.988 17.816 19.000 -0.326 0.000 0.819 460 A HN 0.466 nan 8.150 nan 0.000 0.442 461 L N -0.904 120.446 121.223 0.212 0.000 2.395 461 L HA 0.115 4.457 4.340 0.004 0.000 0.218 461 L C 2.568 179.505 176.870 0.112 0.000 1.130 461 L CA 1.260 56.237 54.840 0.228 0.000 0.826 461 L CB -0.838 41.272 42.059 0.084 0.000 0.941 461 L HN 0.399 nan 8.230 nan 0.000 0.451 462 A N -1.228 121.610 122.820 0.030 0.000 1.844 462 A HA -0.085 4.237 4.320 0.004 0.000 0.212 462 A C 2.242 179.783 177.584 -0.072 0.000 1.221 462 A CA 1.780 53.797 52.037 -0.033 0.000 0.607 462 A CB -0.908 18.036 19.000 -0.094 0.000 0.878 462 A HN 0.450 nan 8.150 nan 0.000 0.451 463 T N -3.602 110.842 114.554 -0.182 0.000 2.671 463 T HA 0.391 4.744 4.350 0.004 0.000 0.250 463 T C 1.595 176.281 174.700 -0.024 0.000 1.068 463 T CA 1.794 63.797 62.100 -0.162 0.000 1.177 463 T CB -0.634 68.038 68.868 -0.326 0.000 0.876 463 T HN 1.569 nan 8.240 nan 0.000 0.405 464 G N 1.121 109.954 108.800 0.055 0.000 2.738 464 G HA2 -0.136 3.827 3.960 0.004 0.000 0.195 464 G HA3 -0.136 3.827 3.960 0.004 0.000 0.195 464 G C -0.018 174.991 174.900 0.182 0.000 1.001 464 G CA -0.297 44.867 45.100 0.107 0.000 0.759 464 G HN 0.480 nan 8.290 nan 0.000 0.494 465 N N 1.559 120.364 118.700 0.175 0.000 2.814 465 N HA 0.031 4.774 4.740 0.004 0.000 0.304 465 N C -0.038 175.665 175.510 0.321 0.000 1.211 465 N CA -0.186 53.011 53.050 0.244 0.000 1.158 465 N CB -0.343 38.324 38.487 0.301 0.000 1.458 465 N HN 0.533 nan 8.380 nan 0.000 0.519 466 W N 1.318 122.655 121.300 0.061 0.000 2.701 466 W HA 0.143 4.805 4.660 0.004 0.000 0.448 466 W C 0.388 176.935 176.519 0.048 0.000 1.118 466 W CA 0.014 57.388 57.345 0.048 0.000 1.608 466 W CB -0.132 29.340 29.460 0.020 0.000 1.650 466 W HN 0.546 nan 8.180 nan 0.000 0.435 467 G N 2.599 111.328 108.800 -0.117 0.000 4.569 467 G HA2 -0.113 3.850 3.960 0.004 0.000 0.221 467 G HA3 -0.113 3.850 3.960 0.004 0.000 0.221 467 G C 0.037 174.856 174.900 -0.135 0.000 0.778 467 G CA 0.050 45.065 45.100 -0.141 0.000 1.115 467 G HN 0.466 nan 8.290 nan 0.000 0.774 468 E N -0.867 119.252 120.200 -0.134 0.000 2.857 468 E HA -0.323 4.030 4.350 0.004 0.000 0.341 468 E C 1.140 177.499 176.600 -0.402 0.000 1.399 468 E CA 1.862 58.115 56.400 -0.244 0.000 1.280 468 E CB -1.311 28.260 29.700 -0.216 0.000 1.773 468 E HN 0.635 nan 8.360 nan 0.000 0.549 469 Q N 0.766 120.380 119.800 -0.310 0.000 2.204 469 Q HA 0.224 4.567 4.340 0.004 0.000 0.209 469 Q C 1.048 176.957 176.000 -0.152 0.000 0.861 469 Q CA -0.265 55.365 55.803 -0.288 0.000 0.971 469 Q CB 0.672 29.263 28.738 -0.246 0.000 1.095 469 Q HN 0.107 nan 8.270 nan 0.000 0.486 470 K N 1.915 122.249 120.400 -0.109 0.000 2.054 470 K HA -0.028 4.294 4.320 0.004 0.000 0.207 470 K C 1.069 177.656 176.600 -0.022 0.000 1.031 470 K CA 1.670 57.924 56.287 -0.056 0.000 0.952 470 K CB -0.029 32.445 32.500 -0.043 0.000 0.775 470 K HN 0.331 nan 8.250 nan 0.000 0.447 471 K N -0.876 119.530 120.400 0.010 0.000 3.553 471 K HA -0.279 4.044 4.320 0.004 0.000 0.280 471 K C 1.283 177.904 176.600 0.035 0.000 1.061 471 K CA 1.998 58.313 56.287 0.047 0.000 1.101 471 K CB -2.281 30.259 32.500 0.067 0.000 1.421 471 K HN 0.147 nan 8.250 nan 0.000 0.440 472 A N 1.004 123.833 122.820 0.015 0.000 2.070 472 A HA 0.140 4.462 4.320 0.004 0.000 0.220 472 A C 1.237 178.828 177.584 0.013 0.000 1.159 472 A CA 1.323 53.366 52.037 0.010 0.000 0.656 472 A CB -0.378 18.622 19.000 -0.001 0.000 0.800 472 A HN 0.471 nan 8.150 nan 0.000 0.453 473 M N 1.769 121.379 119.600 0.017 0.000 2.364 473 M HA 0.003 4.486 4.480 0.004 0.000 0.342 473 M C 0.756 177.083 176.300 0.046 0.000 1.601 473 M CA -0.010 55.307 55.300 0.028 0.000 1.156 473 M CB 0.498 33.117 32.600 0.032 0.000 1.912 473 M HN 0.446 nan 8.290 nan 0.000 0.460 474 S N 0.062 115.784 115.700 0.038 0.000 2.894 474 S HA -0.041 4.431 4.470 0.004 0.000 0.231 474 S C 1.216 175.847 174.600 0.051 0.000 0.971 474 S CA 0.335 58.558 58.200 0.038 0.000 1.005 474 S CB -0.810 62.404 63.200 0.024 0.000 0.799 474 S HN 0.801 nan 8.310 nan 0.000 0.527 475 S N 1.288 117.035 115.700 0.078 0.000 2.593 475 S HA 0.067 4.539 4.470 0.004 0.000 0.217 475 S C 1.592 176.256 174.600 0.106 0.000 0.966 475 S CA -0.509 57.753 58.200 0.103 0.000 0.914 475 S CB -0.237 63.069 63.200 0.176 0.000 0.776 475 S HN 0.606 nan 8.310 nan 0.000 0.523 476 R N 2.474 123.028 120.500 0.089 0.000 2.159 476 R HA -0.123 4.220 4.340 0.004 0.000 0.252 476 R C 1.240 177.577 176.300 0.062 0.000 1.144 476 R CA 1.238 57.388 56.100 0.083 0.000 0.961 476 R CB -1.476 28.860 30.300 0.060 0.000 0.877 476 R HN 0.479 nan 8.270 nan 0.000 0.444 477 A N 2.152 124.996 122.820 0.040 0.000 2.558 477 A HA 0.114 4.436 4.320 0.004 0.000 0.262 477 A C 0.907 178.496 177.584 0.009 0.000 1.049 477 A CA 0.601 52.649 52.037 0.018 0.000 0.804 477 A CB -0.433 18.571 19.000 0.006 0.000 0.957 477 A HN 0.463 nan 8.150 nan 0.000 0.520 478 G N 3.269 112.074 108.800 0.009 0.000 2.384 478 G HA2 0.284 4.247 3.960 0.004 0.000 0.289 478 G HA3 0.284 4.247 3.960 0.004 0.000 0.289 478 G C 0.366 175.232 174.900 -0.056 0.000 0.823 478 G CA 0.131 45.229 45.100 -0.004 0.000 1.740 478 G HN 1.307 nan 8.290 nan 0.000 0.422 479 V N 1.768 121.609 119.914 -0.122 0.000 2.584 479 V HA 0.245 4.368 4.120 0.004 0.000 0.303 479 V C 1.096 177.061 176.094 -0.214 0.000 1.035 479 V CA 0.570 62.696 62.300 -0.291 0.000 1.172 479 V CB 0.249 31.696 31.823 -0.626 0.000 0.896 479 V HN 1.372 nan 8.190 nan 0.000 0.486 480 S N 2.851 118.434 115.700 -0.195 0.000 3.772 480 S HA -0.133 4.340 4.470 0.004 0.000 0.595 480 S C -0.183 174.428 174.600 0.017 0.000 0.670 480 S CA 0.559 58.732 58.200 -0.045 0.000 1.415 480 S CB -0.742 62.475 63.200 0.028 0.000 0.866 480 S HN 0.970 nan 8.310 nan 0.000 0.842 481 Q N 1.574 121.406 119.800 0.053 0.000 2.195 481 Q HA 0.616 4.959 4.340 0.004 0.000 0.250 481 Q C 0.172 176.252 176.000 0.135 0.000 0.988 481 Q CA -1.019 54.851 55.803 0.112 0.000 0.911 481 Q CB 1.255 30.123 28.738 0.217 0.000 1.258 481 Q HN 0.425 nan 8.270 nan 0.000 0.475 482 V N 2.506 122.459 119.914 0.066 0.000 2.125 482 V HA 0.070 4.192 4.120 0.004 0.000 0.263 482 V C 1.084 177.163 176.094 -0.025 0.000 1.365 482 V CA 0.099 62.411 62.300 0.019 0.000 1.276 482 V CB -1.492 30.321 31.823 -0.017 0.000 1.350 482 V HN 0.766 nan 8.190 nan 0.000 0.487 483 L N 1.507 122.755 121.223 0.041 0.000 5.360 483 L HA -0.346 3.997 4.340 0.004 0.000 0.053 483 L C 0.799 177.563 176.870 -0.177 0.000 2.211 483 L CA 2.207 57.065 54.840 0.029 0.000 1.873 483 L CB -0.114 41.867 42.059 -0.129 0.000 2.525 483 L HN 0.913 nan 8.230 nan 0.000 0.860 484 N N -0.984 117.610 118.700 -0.176 0.000 4.961 484 N HA 0.117 4.860 4.740 0.004 0.000 0.150 484 N C -1.197 174.238 175.510 -0.125 0.000 1.269 484 N CA -0.183 52.732 53.050 -0.224 0.000 0.971 484 N CB 0.328 38.584 38.487 -0.385 0.000 1.663 484 N HN 0.389 nan 8.380 nan 0.000 0.929 485 R N 2.346 122.759 120.500 -0.144 0.000 3.335 485 R HA 0.219 4.562 4.340 0.004 0.000 0.337 485 R C -0.034 176.118 176.300 -0.247 0.000 1.283 485 R CA -0.359 55.639 56.100 -0.171 0.000 1.246 485 R CB 0.158 30.319 30.300 -0.232 0.000 1.464 485 R HN 0.448 nan 8.270 nan 0.000 0.607 486 Y N -0.021 120.146 120.300 -0.223 0.000 2.262 486 Y HA 0.160 4.712 4.550 0.004 0.000 0.295 486 Y C 0.715 176.582 175.900 -0.055 0.000 1.121 486 Y CA 0.889 58.877 58.100 -0.186 0.000 1.144 486 Y CB 0.890 39.264 38.460 -0.143 0.000 1.043 486 Y HN -0.084 nan 8.280 nan 0.000 0.528 487 T N -1.456 113.124 114.554 0.043 0.000 2.887 487 T HA 0.132 4.485 4.350 0.004 0.000 0.292 487 T C -0.161 174.634 174.700 0.159 0.000 1.087 487 T CA -0.461 61.679 62.100 0.067 0.000 1.009 487 T CB 1.312 70.213 68.868 0.055 0.000 1.203 487 T HN 0.103 nan 8.240 nan 0.000 0.518 488 Y N 2.039 122.367 120.300 0.047 0.000 2.133 488 Y HA -0.115 4.438 4.550 0.004 0.000 0.287 488 Y C 2.615 178.558 175.900 0.071 0.000 1.134 488 Y CA 2.394 60.520 58.100 0.044 0.000 1.133 488 Y CB -0.586 37.846 38.460 -0.047 0.000 0.987 488 Y HN 0.622 nan 8.280 nan 0.000 0.502 489 S N -1.482 114.242 115.700 0.039 0.000 2.547 489 S HA -0.140 4.333 4.470 0.004 0.000 0.235 489 S C 2.144 176.735 174.600 -0.015 0.000 0.980 489 S CA 0.928 59.118 58.200 -0.016 0.000 0.941 489 S CB -0.749 62.552 63.200 0.168 0.000 0.763 489 S HN 0.468 nan 8.310 nan 0.000 0.532 490 S N 1.534 117.244 115.700 0.016 0.000 2.377 490 S HA -0.071 4.402 4.470 0.004 0.000 0.223 490 S C 1.876 176.473 174.600 -0.005 0.000 1.030 490 S CA 1.460 59.674 58.200 0.023 0.000 0.970 490 S CB -1.020 62.216 63.200 0.060 0.000 0.830 490 S HN 0.668 nan 8.310 nan 0.000 0.473 491 T N 2.872 117.402 114.554 -0.040 0.000 2.746 491 T HA 0.048 4.401 4.350 0.004 0.000 0.267 491 T C 1.763 176.411 174.700 -0.087 0.000 1.039 491 T CA 1.287 63.355 62.100 -0.052 0.000 1.142 491 T CB -0.454 68.385 68.868 -0.048 0.000 0.866 491 T HN 0.276 nan 8.240 nan 0.000 0.444 492 L N 0.890 121.992 121.223 -0.202 0.000 2.079 492 L HA -0.132 4.211 4.340 0.004 0.000 0.210 492 L C 2.885 179.710 176.870 -0.075 0.000 1.081 492 L CA 1.231 55.966 54.840 -0.175 0.000 0.752 492 L CB -0.441 41.464 42.059 -0.258 0.000 0.896 492 L HN 0.307 nan 8.230 nan 0.000 0.433 493 S N -1.402 114.273 115.700 -0.043 0.000 2.357 493 S HA -0.249 4.223 4.470 0.004 0.000 0.221 493 S C 2.114 176.728 174.600 0.023 0.000 1.031 493 S CA 0.887 59.083 58.200 -0.007 0.000 0.982 493 S CB -0.375 62.832 63.200 0.011 0.000 0.853 493 S HN 0.525 nan 8.310 nan 0.000 0.458 494 H N 0.529 119.567 119.070 -0.055 0.000 2.491 494 H HA 0.075 4.634 4.556 0.005 0.000 0.290 494 H C 1.733 177.034 175.328 -0.046 0.000 1.050 494 H CA 1.233 57.251 56.048 -0.050 0.000 1.309 494 H CB -0.035 29.694 29.762 -0.055 0.000 1.392 494 H HN 0.395 nan 8.280 nan 0.000 0.554 495 L N 0.097 121.271 121.223 -0.082 0.000 2.395 495 L HA -0.023 4.320 4.340 0.004 0.000 0.218 495 L C 1.473 178.277 176.870 -0.110 0.000 1.130 495 L CA 0.666 55.441 54.840 -0.108 0.000 0.826 495 L CB 0.070 42.108 42.059 -0.036 0.000 0.941 495 L HN 0.093 nan 8.230 nan 0.000 0.451 496 R N -0.290 120.154 120.500 -0.094 0.000 2.696 496 R HA 0.217 4.560 4.340 0.004 0.000 0.355 496 R C 0.175 176.426 176.300 -0.081 0.000 1.138 496 R CA -0.244 55.811 56.100 -0.075 0.000 1.059 496 R CB 0.451 30.723 30.300 -0.047 0.000 1.380 496 R HN 0.126 nan 8.270 nan 0.000 0.578 497 R N 0.297 120.726 120.500 -0.117 0.000 2.500 497 R HA 0.285 4.627 4.340 0.004 0.000 0.277 497 R C -0.641 175.608 176.300 -0.086 0.000 1.026 497 R CA 0.162 56.202 56.100 -0.100 0.000 1.058 497 R CB 1.318 31.541 30.300 -0.129 0.000 1.078 497 R HN -0.149 nan 8.270 nan 0.000 0.509 498 T N 2.538 117.058 114.554 -0.056 0.000 2.881 498 T HA 0.232 4.585 4.350 0.004 0.000 0.291 498 T C -1.055 173.631 174.700 -0.025 0.000 0.990 498 T CA -0.671 61.408 62.100 -0.036 0.000 0.976 498 T CB 1.009 69.875 68.868 -0.004 0.000 0.970 498 T HN 0.473 nan 8.240 nan 0.000 0.438 499 N N 1.783 120.463 118.700 -0.033 0.000 2.492 499 N HA 0.687 5.430 4.740 0.004 0.000 0.289 499 N C -1.051 174.455 175.510 -0.006 0.000 1.133 499 N CA -0.231 52.804 53.050 -0.024 0.000 0.961 499 N CB 1.189 39.650 38.487 -0.043 0.000 1.186 499 N HN 0.575 nan 8.380 nan 0.000 0.493 500 T N 1.401 115.957 114.554 0.003 0.000 3.097 500 T HA 0.462 4.814 4.350 0.004 0.000 0.332 500 T C -2.696 172.008 174.700 0.008 0.000 1.269 500 T CA -0.709 61.398 62.100 0.012 0.000 1.076 500 T CB 1.833 70.722 68.868 0.035 0.000 1.209 500 T HN 0.334 nan 8.240 nan 0.000 0.474 501 P HA 0.743 nan 4.420 nan 0.000 0.297 501 P C 0.254 177.555 177.300 0.001 0.000 1.307 501 P CA -0.639 62.463 63.100 0.003 0.000 0.773 501 P CB 0.280 31.982 31.700 0.003 0.000 1.265 510 K N 1.081 121.460 120.400 -0.035 0.000 2.682 510 K HA 0.455 4.778 4.320 0.004 0.000 0.189 510 K C -2.488 174.098 176.600 -0.023 0.000 1.062 510 K CA -1.467 54.806 56.287 -0.023 0.000 0.997 510 K CB 1.526 34.019 32.500 -0.011 0.000 1.405 510 K HN 0.251 nan 8.250 nan 0.000 0.588 511 P HA 0.045 nan 4.420 nan 0.000 0.235 511 P C 0.455 177.756 177.300 0.000 0.000 1.177 511 P CA 0.438 63.536 63.100 -0.004 0.000 0.785 511 P CB 0.506 32.206 31.700 0.000 0.000 0.885 512 R N -1.057 119.436 120.500 -0.012 0.000 2.140 512 R HA 0.108 4.451 4.340 0.004 0.000 0.213 512 R C 0.991 177.271 176.300 -0.033 0.000 1.059 512 R CA 0.123 56.215 56.100 -0.013 0.000 1.000 512 R CB -0.519 29.772 30.300 -0.015 0.000 0.910 512 R HN 0.161 nan 8.270 nan 0.000 0.455 513 Q N 1.373 121.147 119.800 -0.043 0.000 2.315 513 Q HA 0.018 4.361 4.340 0.004 0.000 0.289 513 Q C -0.846 175.078 176.000 -0.127 0.000 1.044 513 Q CA 0.080 55.846 55.803 -0.062 0.000 0.920 513 Q CB 0.652 29.366 28.738 -0.041 0.000 1.214 513 Q HN 0.043 nan 8.270 nan 0.000 0.392 514 L N 4.457 125.597 121.223 -0.138 0.000 2.456 514 L HA 0.155 4.497 4.340 0.004 0.000 0.277 514 L C -0.974 175.741 176.870 -0.258 0.000 1.124 514 L CA 0.387 55.087 54.840 -0.234 0.000 0.880 514 L CB -0.091 41.903 42.059 -0.109 0.000 1.192 514 L HN 0.643 nan 8.230 nan 0.000 0.463 515 H N 3.899 122.604 119.070 -0.608 0.000 2.458 515 H HA 0.340 4.899 4.556 0.004 0.000 0.330 515 H C 1.099 176.300 175.328 -0.212 0.000 1.111 515 H CA -0.164 55.665 56.048 -0.365 0.000 1.245 515 H CB 0.845 30.401 29.762 -0.343 0.000 1.456 515 H HN 0.725 nan 8.280 nan 0.000 0.488 516 N N 1.948 120.240 118.700 -0.681 0.000 2.139 516 N HA -0.269 4.473 4.740 0.004 0.000 0.199 516 N C 1.331 176.771 175.510 -0.117 0.000 1.003 516 N CA 2.377 55.195 53.050 -0.386 0.000 0.892 516 N CB -0.218 37.990 38.487 -0.465 0.000 1.039 516 N HN 0.785 nan 8.380 nan 0.000 0.461 517 T N -2.282 112.272 114.554 0.001 0.000 3.035 517 T HA -0.054 4.298 4.350 0.004 0.000 0.268 517 T C 1.416 176.267 174.700 0.252 0.000 1.109 517 T CA 0.830 63.019 62.100 0.148 0.000 1.119 517 T CB -0.347 68.550 68.868 0.047 0.000 0.900 517 T HN 0.216 nan 8.240 nan 0.000 0.503 518 H N -0.009 119.062 119.070 0.003 0.000 2.489 518 H HA 0.063 4.622 4.556 0.004 0.000 0.295 518 H C 0.768 176.073 175.328 -0.039 0.000 1.082 518 H CA 0.128 56.085 56.048 -0.152 0.000 1.295 518 H CB -0.505 29.147 29.762 -0.184 0.000 1.380 518 H HN 0.566 nan 8.280 nan 0.000 0.548 519 W N 1.993 123.302 121.300 0.015 0.000 2.534 519 W HA 0.075 4.738 4.660 0.005 0.000 0.340 519 W C 0.705 177.209 176.519 -0.025 0.000 1.352 519 W CA 1.502 58.838 57.345 -0.016 0.000 1.305 519 W CB -0.230 29.215 29.460 -0.025 0.000 1.299 519 W HN 0.516 nan 8.180 nan 0.000 0.572 520 G N 4.226 112.668 108.800 -0.596 0.000 2.184 520 G HA2 -0.327 3.636 3.960 0.004 0.000 0.264 520 G HA3 -0.327 3.636 3.960 0.004 0.000 0.264 520 G C 0.561 175.315 174.900 -0.244 0.000 0.975 520 G CA 0.543 45.336 45.100 -0.512 0.000 0.642 520 G HN 0.586 nan 8.290 nan 0.000 0.536 521 L N -1.397 119.713 121.223 -0.187 0.000 2.663 521 L HA 0.355 4.698 4.340 0.004 0.000 0.218 521 L C 0.780 177.519 176.870 -0.218 0.000 1.043 521 L CA 0.284 55.037 54.840 -0.145 0.000 0.876 521 L CB 0.348 42.393 42.059 -0.023 0.000 1.263 521 L HN 0.077 nan 8.230 nan 0.000 0.486 522 V N 0.165 119.880 119.914 -0.331 0.000 2.513 522 V HA 0.209 4.332 4.120 0.004 0.000 0.299 522 V C -0.157 175.821 176.094 -0.193 0.000 1.035 522 V CA -1.081 61.026 62.300 -0.323 0.000 0.889 522 V CB 2.424 33.901 31.823 -0.577 0.000 0.988 522 V HN 0.300 nan 8.190 nan 0.000 0.440 523 C N 8.167 127.384 119.300 -0.138 0.000 2.648 523 C HA 0.249 4.712 4.460 0.004 0.000 0.419 523 C C -0.098 174.857 174.990 -0.059 0.000 1.352 523 C CA -0.730 58.231 59.018 -0.096 0.000 1.816 523 C CB 0.321 28.018 27.740 -0.072 0.000 2.598 523 C HN 0.854 nan 8.230 nan 0.000 0.598 524 P HA 0.016 nan 4.420 nan 0.000 0.221 524 P C 1.050 178.341 177.300 -0.016 0.000 1.155 524 P CA 1.986 65.082 63.100 -0.008 0.000 0.812 524 P CB 0.103 31.810 31.700 0.012 0.000 0.801 525 A N 0.061 122.868 122.820 -0.023 0.000 1.924 525 A HA 0.007 4.330 4.320 0.004 0.000 0.211 525 A C 1.407 178.965 177.584 -0.043 0.000 1.198 525 A CA 0.147 52.166 52.037 -0.030 0.000 0.657 525 A CB -0.894 18.095 19.000 -0.018 0.000 0.852 525 A HN 0.143 nan 8.150 nan 0.000 0.454 526 E N 0.805 120.982 120.200 -0.038 0.000 2.265 526 E HA 0.361 4.713 4.350 0.004 0.000 0.272 526 E C -0.637 175.940 176.600 -0.038 0.000 1.067 526 E CA 0.349 56.727 56.400 -0.036 0.000 0.900 526 E CB 0.190 29.871 29.700 -0.032 0.000 1.017 526 E HN 0.296 nan 8.360 nan 0.000 0.431 527 T N 4.286 118.816 114.554 -0.040 0.000 3.121 527 T HA 0.199 4.551 4.350 0.004 0.000 0.377 527 T C -2.931 171.744 174.700 -0.043 0.000 1.820 527 T CA -1.219 60.859 62.100 -0.036 0.000 1.098 527 T CB 1.126 69.971 68.868 -0.038 0.000 1.681 527 T HN 0.311 nan 8.240 nan 0.000 0.492 528 P HA 0.443 nan 4.420 nan 0.000 0.276 528 P C -0.802 176.478 177.300 -0.033 0.000 1.244 528 P CA -0.264 62.824 63.100 -0.021 0.000 0.801 528 P CB 0.658 32.354 31.700 -0.006 0.000 1.006 529 E N -0.081 120.107 120.200 -0.021 0.000 2.242 529 E HA 0.465 4.818 4.350 0.004 0.000 0.275 529 E C 1.008 177.607 176.600 -0.001 0.000 1.002 529 E CA -0.493 55.895 56.400 -0.020 0.000 0.841 529 E CB 0.410 30.120 29.700 0.017 0.000 1.109 529 E HN 0.718 nan 8.360 nan 0.000 0.394 530 G N 1.715 110.514 108.800 -0.002 0.000 2.622 530 G HA2 -0.501 3.462 3.960 0.004 0.000 0.307 530 G HA3 -0.501 3.462 3.960 0.004 0.000 0.307 530 G C 0.808 175.706 174.900 -0.002 0.000 1.226 530 G CA 0.875 45.976 45.100 0.002 0.000 0.997 530 G HN 0.740 nan 8.290 nan 0.000 0.551 531 Q N -1.810 117.990 119.800 -0.000 0.000 2.443 531 Q HA -0.341 4.002 4.340 0.004 0.000 0.365 531 Q C 1.621 177.619 176.000 -0.003 0.000 1.971 531 Q CA 3.183 58.985 55.803 -0.001 0.000 0.829 531 Q CB -1.180 27.558 28.738 -0.000 0.000 1.126 531 Q HN 2.201 nan 8.270 nan 0.000 0.867 532 A N -0.390 122.428 122.820 -0.003 0.000 3.317 532 A HA 0.416 4.739 4.320 0.004 0.000 0.307 532 A C -0.774 176.807 177.584 -0.006 0.000 1.003 532 A CA -0.325 51.710 52.037 -0.004 0.000 0.882 532 A CB 0.649 19.649 19.000 -0.001 0.000 1.136 532 A HN 0.477 nan 8.150 nan 0.000 0.488 533 C N 0.676 119.970 119.300 -0.010 0.000 2.514 533 C HA 0.580 5.043 4.460 0.004 0.000 0.392 533 C C 1.798 176.778 174.990 -0.016 0.000 1.294 533 C CA 1.476 60.484 59.018 -0.018 0.000 1.957 533 C CB -0.791 26.933 27.740 -0.026 0.000 2.541 533 C HN 2.139 nan 8.230 nan 0.000 0.569 534 G N 4.639 113.430 108.800 -0.016 0.000 2.245 534 G HA2 -0.276 3.687 3.960 0.004 0.000 0.264 534 G HA3 -0.276 3.687 3.960 0.004 0.000 0.264 534 G C 0.617 175.525 174.900 0.015 0.000 0.985 534 G CA 0.810 45.907 45.100 -0.005 0.000 0.625 534 G HN 0.774 nan 8.290 nan 0.000 0.536 535 L N 0.008 121.237 121.223 0.010 0.000 2.102 535 L HA 0.203 4.546 4.340 0.004 0.000 0.202 535 L C 1.488 178.369 176.870 0.019 0.000 1.076 535 L CA 0.662 55.513 54.840 0.019 0.000 0.761 535 L CB -0.151 41.914 42.059 0.010 0.000 0.921 535 L HN 0.151 nan 8.230 nan 0.000 0.444 536 V N 1.888 121.806 119.914 0.006 0.000 2.530 536 V HA 0.164 4.287 4.120 0.004 0.000 0.282 536 V C -0.149 175.942 176.094 -0.005 0.000 1.048 536 V CA -0.255 62.045 62.300 -0.000 0.000 0.997 536 V CB 0.800 32.622 31.823 -0.002 0.000 0.987 536 V HN 0.289 nan 8.190 nan 0.000 0.477 537 K N 3.711 124.102 120.400 -0.014 0.000 2.527 537 K HA 0.545 4.868 4.320 0.004 0.000 0.260 537 K C -1.394 175.179 176.600 -0.047 0.000 0.937 537 K CA -0.901 55.367 56.287 -0.032 0.000 0.826 537 K CB 2.115 34.589 32.500 -0.043 0.000 1.359 537 K HN 0.456 nan 8.250 nan 0.000 0.434 538 N N 2.180 120.848 118.700 -0.054 0.000 2.456 538 N HA 0.309 5.052 4.740 0.004 0.000 0.296 538 N C -0.098 175.365 175.510 -0.079 0.000 1.102 538 N CA -0.680 52.336 53.050 -0.057 0.000 0.924 538 N CB 1.436 39.897 38.487 -0.043 0.000 1.186 538 N HN 0.393 nan 8.380 nan 0.000 0.492 539 L N 1.082 122.261 121.223 -0.073 0.000 2.483 539 L HA 0.047 4.390 4.340 0.004 0.000 0.276 539 L C 1.593 178.414 176.870 -0.081 0.000 1.213 539 L CA -0.218 54.571 54.840 -0.086 0.000 0.843 539 L CB 0.071 42.087 42.059 -0.072 0.000 1.107 539 L HN 0.608 nan 8.230 nan 0.000 0.487 540 S N 2.167 117.803 115.700 -0.106 0.000 2.641 540 S HA 0.269 4.742 4.470 0.004 0.000 0.261 540 S C 1.099 175.664 174.600 -0.058 0.000 1.257 540 S CA -0.712 57.430 58.200 -0.095 0.000 0.983 540 S CB 0.731 63.839 63.200 -0.152 0.000 0.990 540 S HN 0.580 nan 8.310 nan 0.000 0.572 541 L N -0.487 120.722 121.223 -0.023 0.000 2.027 541 L HA -0.004 4.339 4.340 0.004 0.000 0.206 541 L C 2.529 179.420 176.870 0.035 0.000 1.074 541 L CA 1.484 56.379 54.840 0.092 0.000 0.745 541 L CB -0.357 41.816 42.059 0.190 0.000 0.898 541 L HN 0.688 nan 8.230 nan 0.000 0.433 542 M N -0.443 119.061 119.600 -0.160 0.000 2.494 542 M HA 0.042 4.525 4.480 0.004 0.000 0.232 542 M C 0.677 176.775 176.300 -0.337 0.000 1.137 542 M CA -0.109 54.946 55.300 -0.409 0.000 1.012 542 M CB 0.191 32.431 32.600 -0.600 0.000 1.567 542 M HN 0.192 nan 8.290 nan 0.000 0.486 543 S N -1.108 114.461 115.700 -0.218 0.000 2.586 543 S HA 0.511 4.984 4.470 0.004 0.000 0.274 543 S C -0.148 174.265 174.600 -0.313 0.000 1.281 543 S CA -1.053 56.990 58.200 -0.263 0.000 1.035 543 S CB 1.474 64.560 63.200 -0.191 0.000 0.962 543 S HN 0.304 nan 8.310 nan 0.000 0.512 544 C N 1.297 120.239 119.300 -0.597 0.000 3.157 544 C HA 0.761 5.224 4.460 0.004 0.000 0.368 544 C C -0.435 174.208 174.990 -0.578 0.000 1.623 544 C CA -0.748 57.888 59.018 -0.636 0.000 1.530 544 C CB 0.716 27.923 27.740 -0.888 0.000 2.152 544 C HN 0.897 nan 8.230 nan 0.000 0.456 545 I N 0.923 121.292 120.570 -0.336 0.000 2.646 545 I HA 0.355 4.528 4.170 0.004 0.000 0.299 545 I C 0.246 176.438 176.117 0.125 0.000 1.036 545 I CA 0.259 61.499 61.300 -0.100 0.000 1.074 545 I CB 1.976 39.941 38.000 -0.059 0.000 1.258 545 I HN 0.730 nan 8.210 nan 0.000 0.430 546 S N 4.645 120.472 115.700 0.212 0.000 2.488 546 S HA 0.136 4.609 4.470 0.004 0.000 0.278 546 S C 0.814 175.452 174.600 0.062 0.000 1.259 546 S CA -0.496 57.797 58.200 0.155 0.000 1.061 546 S CB 1.079 64.324 63.200 0.075 0.000 0.910 546 S HN 0.521 nan 8.310 nan 0.000 0.491 547 V N 3.831 123.769 119.914 0.041 0.000 2.591 547 V HA 0.329 4.452 4.120 0.004 0.000 0.249 547 V C 1.290 177.381 176.094 -0.006 0.000 1.053 547 V CA 1.775 64.085 62.300 0.016 0.000 1.068 547 V CB -0.766 31.062 31.823 0.008 0.000 0.689 547 V HN 1.537 nan 8.190 nan 0.000 0.462 548 G N -0.421 108.365 108.800 -0.023 0.000 3.226 548 G HA2 0.010 3.973 3.960 0.004 0.000 0.685 548 G HA3 0.010 3.973 3.960 0.004 0.000 0.685 548 G C -0.466 174.383 174.900 -0.084 0.000 1.207 548 G CA -0.326 44.752 45.100 -0.037 0.000 0.877 548 G HN 0.401 nan 8.290 nan 0.000 0.585 549 T N 0.970 115.477 114.554 -0.077 0.000 2.762 549 T HA 0.717 5.070 4.350 0.004 0.000 0.272 549 T C -0.848 173.804 174.700 -0.080 0.000 0.982 549 T CA -0.667 61.370 62.100 -0.105 0.000 1.013 549 T CB 1.903 70.714 68.868 -0.094 0.000 1.309 549 T HN 0.592 nan 8.240 nan 0.000 0.572 550 D N 1.076 121.429 120.400 -0.079 0.000 2.233 550 D HA 0.381 5.024 4.640 0.004 0.000 0.240 550 D C -1.616 174.654 176.300 -0.050 0.000 1.074 550 D CA -2.212 51.755 54.000 -0.055 0.000 0.838 550 D CB 1.848 42.620 40.800 -0.047 0.000 1.124 550 D HN 0.043 nan 8.370 nan 0.000 0.475 551 P HA -0.033 nan 4.420 nan 0.000 0.219 551 P C 1.383 178.643 177.300 -0.067 0.000 1.154 551 P CA 0.988 64.057 63.100 -0.052 0.000 0.826 551 P CB -0.037 31.641 31.700 -0.037 0.000 0.795 552 M N -1.650 117.917 119.600 -0.054 0.000 2.562 552 M HA 0.184 4.667 4.480 0.004 0.000 0.257 552 M C -1.197 175.081 176.300 -0.036 0.000 1.099 552 M CA 1.235 56.499 55.300 -0.059 0.000 1.099 552 M CB -1.829 30.747 32.600 -0.039 0.000 1.427 552 M HN -0.109 nan 8.290 nan 0.000 0.489 553 P HA 0.067 nan 4.420 nan 0.000 0.249 553 P C 1.233 178.532 177.300 -0.001 0.000 1.229 553 P CA 0.706 63.804 63.100 -0.004 0.000 0.788 553 P CB 0.023 31.716 31.700 -0.011 0.000 1.072 554 I N -0.302 120.247 120.570 -0.036 0.000 2.429 554 I HA -0.096 4.077 4.170 0.004 0.000 0.247 554 I C 2.346 178.461 176.117 -0.003 0.000 1.099 554 I CA 0.553 61.832 61.300 -0.034 0.000 1.422 554 I CB -0.885 37.066 38.000 -0.082 0.000 1.112 554 I HN -0.127 nan 8.210 nan 0.000 0.430 555 I N 1.387 121.902 120.570 -0.092 0.000 2.143 555 I HA -0.325 3.848 4.170 0.004 0.000 0.245 555 I C 2.508 178.592 176.117 -0.055 0.000 1.068 555 I CA 1.859 63.058 61.300 -0.169 0.000 1.326 555 I CB -1.822 36.014 38.000 -0.274 0.000 1.028 555 I HN 0.214 nan 8.210 nan 0.000 0.412 556 T N 0.413 114.969 114.554 0.003 0.000 2.904 556 T HA -0.141 4.211 4.350 0.004 0.000 0.267 556 T C 1.722 176.482 174.700 0.100 0.000 1.059 556 T CA 0.845 62.969 62.100 0.041 0.000 1.137 556 T CB -0.407 68.489 68.868 0.046 0.000 0.879 556 T HN 0.293 nan 8.240 nan 0.000 0.467 557 F N 1.573 121.520 119.950 -0.005 0.000 2.163 557 F HA 0.061 4.591 4.527 0.005 0.000 0.297 557 F C 1.757 177.601 175.800 0.074 0.000 1.094 557 F CA 0.970 58.989 58.000 0.031 0.000 1.290 557 F CB -0.307 38.646 39.000 -0.077 0.000 1.017 557 F HN 0.025 nan 8.300 nan 0.000 0.483 558 L N 0.120 121.426 121.223 0.140 0.000 1.994 558 L HA -0.234 4.109 4.340 0.004 0.000 0.208 558 L C 2.810 179.681 176.870 0.001 0.000 1.071 558 L CA 1.633 56.499 54.840 0.044 0.000 0.745 558 L CB -1.193 40.885 42.059 0.033 0.000 0.892 558 L HN 0.287 nan 8.230 nan 0.000 0.431 559 S N -0.805 114.896 115.700 0.002 0.000 2.442 559 S HA -0.205 4.268 4.470 0.004 0.000 0.236 559 S C 1.605 176.198 174.600 -0.012 0.000 1.007 559 S CA 1.164 59.366 58.200 0.004 0.000 0.965 559 S CB -0.404 62.797 63.200 0.002 0.000 0.773 559 S HN 0.483 nan 8.310 nan 0.000 0.504 560 E N -1.016 119.167 120.200 -0.028 0.000 2.489 560 E HA 0.089 4.441 4.350 0.004 0.000 0.193 560 E C -0.365 176.135 176.600 -0.167 0.000 1.057 560 E CA -0.042 56.313 56.400 -0.075 0.000 0.866 560 E CB 0.105 29.784 29.700 -0.036 0.000 0.916 560 E HN 0.739 nan 8.360 nan 0.000 0.500 561 W N -0.165 120.946 121.300 -0.315 0.000 2.407 561 W HA 0.289 4.952 4.660 0.005 0.000 0.370 561 W C 0.806 177.290 176.519 -0.057 0.000 0.928 561 W CA 0.150 57.324 57.345 -0.286 0.000 2.005 561 W CB 1.231 30.364 29.460 -0.546 0.000 1.171 561 W HN 0.069 nan 8.180 nan 0.000 0.572 562 G N 1.020 109.887 108.800 0.111 0.000 2.144 562 G HA2 -0.273 3.689 3.960 0.004 0.000 0.218 562 G HA3 -0.273 3.689 3.960 0.004 0.000 0.218 562 G C 0.213 175.305 174.900 0.319 0.000 0.988 562 G CA -0.232 44.978 45.100 0.183 0.000 0.659 562 G HN 0.156 nan 8.290 nan 0.000 0.522 563 M N 1.657 121.404 119.600 0.245 0.000 2.194 563 M HA 0.386 4.869 4.480 0.004 0.000 0.347 563 M C 0.196 176.545 176.300 0.081 0.000 1.439 563 M CA 0.052 55.474 55.300 0.203 0.000 1.131 563 M CB 0.144 32.796 32.600 0.087 0.000 1.733 563 M HN 0.265 nan 8.290 nan 0.000 0.467 564 E N 7.335 127.562 120.200 0.045 0.000 2.316 564 E HA 0.253 4.606 4.350 0.004 0.000 0.275 564 E C -2.201 174.368 176.600 -0.052 0.000 1.029 564 E CA -1.492 54.905 56.400 -0.005 0.000 0.871 564 E CB 0.516 30.210 29.700 -0.009 0.000 1.022 564 E HN 0.477 nan 8.360 nan 0.000 0.418 565 P HA -0.066 nan 4.420 nan 0.000 0.272 565 P C 0.373 177.589 177.300 -0.140 0.000 1.240 565 P CA -0.253 62.816 63.100 -0.053 0.000 0.791 565 P CB 0.873 32.578 31.700 0.008 0.000 0.978 566 L N 1.541 122.629 121.223 -0.225 0.000 2.093 566 L HA -0.167 4.176 4.340 0.004 0.000 0.208 566 L C 2.324 179.092 176.870 -0.171 0.000 1.085 566 L CA 1.778 56.350 54.840 -0.445 0.000 0.755 566 L CB -1.149 40.553 42.059 -0.596 0.000 0.904 566 L HN 0.350 nan 8.230 nan 0.000 0.435 567 E N -1.100 119.114 120.200 0.022 0.000 2.077 567 E HA -0.231 4.121 4.350 0.004 0.000 0.193 567 E C 0.569 177.259 176.600 0.151 0.000 0.989 567 E CA 1.398 57.886 56.400 0.147 0.000 0.800 567 E CB -0.844 28.925 29.700 0.114 0.000 0.746 567 E HN 0.532 nan 8.360 nan 0.000 0.452 568 D N 0.323 120.773 120.400 0.083 0.000 2.676 568 D HA 0.037 4.680 4.640 0.004 0.000 0.239 568 D C -0.769 175.597 176.300 0.110 0.000 1.213 568 D CA 0.026 54.074 54.000 0.080 0.000 0.835 568 D CB -0.539 40.287 40.800 0.044 0.000 1.009 568 D HN 0.109 nan 8.370 nan 0.000 0.479 569 Y N 1.194 121.466 120.300 -0.046 0.000 2.360 569 Y HA 0.349 4.902 4.550 0.005 0.000 0.337 569 Y C -0.555 175.359 175.900 0.024 0.000 1.039 569 Y CA -1.511 56.518 58.100 -0.118 0.000 1.109 569 Y CB 1.280 39.471 38.460 -0.447 0.000 1.201 569 Y HN -0.182 nan 8.280 nan 0.000 0.458 570 V N 6.180 125.791 119.914 -0.505 0.000 2.357 570 V HA 0.409 4.532 4.120 0.004 0.000 0.281 570 V C -2.580 173.050 176.094 -0.772 0.000 1.015 570 V CA -1.984 60.004 62.300 -0.520 0.000 0.827 570 V CB 1.415 33.039 31.823 -0.331 0.000 1.018 570 V HN 0.613 nan 8.190 nan 0.000 0.432 571 P HA -0.182 nan 4.420 nan 0.000 0.214 571 P C 1.660 178.894 177.300 -0.110 0.000 1.163 571 P CA 2.174 65.061 63.100 -0.355 0.000 0.883 571 P CB -0.105 31.645 31.700 0.084 0.000 0.788 572 H N -0.511 118.519 119.070 -0.066 0.000 2.489 572 H HA -0.088 4.471 4.556 0.004 0.000 0.293 572 H C 1.720 177.043 175.328 -0.010 0.000 1.066 572 H CA 1.228 57.267 56.048 -0.015 0.000 1.305 572 H CB -0.584 29.162 29.762 -0.026 0.000 1.386 572 H HN 0.262 nan 8.280 nan 0.000 0.551 573 Q N 1.099 120.582 119.800 -0.528 0.000 2.396 573 Q HA 0.096 4.439 4.340 0.004 0.000 0.209 573 Q C -0.057 175.860 176.000 -0.139 0.000 0.906 573 Q CA 0.089 55.677 55.803 -0.359 0.000 0.927 573 Q CB 0.760 29.188 28.738 -0.517 0.000 1.069 573 Q HN 0.279 nan 8.270 nan 0.000 0.523 574 S N 1.929 117.575 115.700 -0.090 0.000 2.060 574 S HA 0.254 4.727 4.470 0.004 0.000 0.156 574 S C -2.282 172.384 174.600 0.109 0.000 1.690 574 S CA -0.970 57.257 58.200 0.044 0.000 1.238 574 S CB 1.494 64.793 63.200 0.166 0.000 1.150 574 S HN 0.294 nan 8.310 nan 0.000 0.437 575 P HA 0.163 nan 4.420 nan 0.000 0.220 575 P C -0.054 177.308 177.300 0.104 0.000 1.154 575 P CA 0.690 63.856 63.100 0.110 0.000 0.837 575 P CB 0.088 31.842 31.700 0.089 0.000 0.815 576 D N 0.146 120.591 120.400 0.075 0.000 2.690 576 D HA 0.343 4.985 4.640 0.004 0.000 0.236 576 D C 0.095 176.427 176.300 0.055 0.000 1.218 576 D CA 0.042 54.078 54.000 0.061 0.000 0.829 576 D CB -0.553 40.273 40.800 0.043 0.000 1.009 576 D HN 0.129 nan 8.370 nan 0.000 0.482 577 A N -0.125 122.741 122.820 0.076 0.000 2.317 577 A HA 0.596 4.918 4.320 0.004 0.000 0.327 577 A C 0.297 177.915 177.584 0.057 0.000 1.178 577 A CA -0.592 51.482 52.037 0.062 0.000 0.817 577 A CB 0.930 19.993 19.000 0.104 0.000 1.189 577 A HN 0.062 nan 8.150 nan 0.000 0.489 578 T N 3.306 117.890 114.554 0.051 0.000 2.733 578 T HA 0.388 4.741 4.350 0.004 0.000 0.294 578 T C 0.439 175.162 174.700 0.039 0.000 0.956 578 T CA -0.359 61.776 62.100 0.059 0.000 0.987 578 T CB 0.182 69.105 68.868 0.091 0.000 0.920 578 T HN 0.742 nan 8.240 nan 0.000 0.470 579 R N 1.635 122.132 120.500 -0.005 0.000 2.641 579 R HA 0.591 4.934 4.340 0.004 0.000 0.269 579 R C -0.990 175.276 176.300 -0.057 0.000 1.074 579 R CA -0.740 55.325 56.100 -0.057 0.000 1.133 579 R CB 0.344 30.462 30.300 -0.303 0.000 1.029 579 R HN 0.281 nan 8.270 nan 0.000 0.488 580 V N 3.209 123.082 119.914 -0.067 0.000 2.443 580 V HA 0.373 4.496 4.120 0.004 0.000 0.293 580 V C -0.984 175.066 176.094 -0.073 0.000 1.021 580 V CA -0.645 61.661 62.300 0.010 0.000 0.848 580 V CB 0.963 32.825 31.823 0.066 0.000 0.998 580 V HN 0.554 nan 8.190 nan 0.000 0.424 581 F N 3.418 123.324 119.950 -0.073 0.000 2.470 581 F HA 0.780 5.309 4.527 0.005 0.000 0.329 581 F C 0.103 175.879 175.800 -0.041 0.000 1.072 581 F CA -0.971 56.992 58.000 -0.062 0.000 0.989 581 F CB 2.088 40.985 39.000 -0.172 0.000 1.193 581 F HN 0.149 nan 8.300 nan 0.000 0.481 582 V N 2.454 122.491 119.914 0.204 0.000 2.532 582 V HA 0.280 4.403 4.120 0.004 0.000 0.294 582 V C -0.666 175.387 176.094 -0.068 0.000 1.036 582 V CA -1.201 61.117 62.300 0.030 0.000 0.876 582 V CB 1.329 33.184 31.823 0.052 0.000 1.012 582 V HN 0.829 nan 8.190 nan 0.000 0.432 583 N N 3.471 121.934 118.700 -0.394 0.000 2.741 583 N HA -0.181 4.562 4.740 0.004 0.000 0.250 583 N C 0.971 176.306 175.510 -0.291 0.000 1.115 583 N CA 1.966 54.759 53.050 -0.429 0.000 0.724 583 N CB -1.146 37.252 38.487 -0.149 0.000 1.090 583 N HN 1.697 nan 8.380 nan 0.000 0.558 584 G N -2.589 106.046 108.800 -0.275 0.000 2.149 584 G HA2 -0.194 3.769 3.960 0.004 0.000 0.235 584 G HA3 -0.194 3.769 3.960 0.004 0.000 0.235 584 G C -0.287 174.757 174.900 0.241 0.000 1.018 584 G CA 0.156 45.267 45.100 0.018 0.000 0.728 584 G HN 0.579 nan 8.290 nan 0.000 0.508 585 V N 0.278 120.298 119.914 0.177 0.000 2.588 585 V HA 0.642 4.765 4.120 0.004 0.000 0.304 585 V C -0.261 175.755 176.094 -0.131 0.000 1.042 585 V CA -1.156 61.109 62.300 -0.057 0.000 0.877 585 V CB 1.892 33.578 31.823 -0.227 0.000 0.996 585 V HN 0.331 nan 8.190 nan 0.000 0.425 586 W N 4.919 125.941 121.300 -0.464 0.000 2.416 586 W HA 0.410 5.072 4.660 0.005 0.000 0.318 586 W C 0.803 176.986 176.519 -0.560 0.000 1.150 586 W CA -0.461 56.507 57.345 -0.628 0.000 1.392 586 W CB 0.237 29.413 29.460 -0.474 0.000 1.311 586 W HN 0.696 nan 8.180 nan 0.000 0.436 587 H N 3.380 122.475 119.070 0.040 0.000 2.551 587 H HA 0.267 4.825 4.556 0.004 0.000 0.271 587 H C 1.244 176.481 175.328 -0.152 0.000 0.984 587 H CA 1.093 57.095 56.048 -0.076 0.000 1.164 587 H CB 0.693 30.427 29.762 -0.047 0.000 1.437 587 H HN 0.577 nan 8.280 nan 0.000 0.550 588 G N 0.095 108.813 108.800 -0.137 0.000 2.250 588 G HA2 0.006 3.968 3.960 0.004 0.000 0.252 588 G HA3 0.006 3.968 3.960 0.004 0.000 0.252 588 G C -1.555 173.262 174.900 -0.137 0.000 1.325 588 G CA -0.288 44.613 45.100 -0.331 0.000 1.091 588 G HN 0.104 nan 8.290 nan 0.000 0.476 589 V N -0.309 119.482 119.914 -0.205 0.000 3.007 589 V HA 0.823 4.946 4.120 0.004 0.000 0.311 589 V C -0.753 175.354 176.094 0.021 0.000 1.120 589 V CA -0.651 61.560 62.300 -0.148 0.000 0.980 589 V CB 2.065 33.624 31.823 -0.441 0.000 1.033 589 V HN 1.281 nan 8.190 nan 0.000 0.429 590 H N 2.474 121.520 119.070 -0.040 0.000 3.018 590 H HA 0.577 5.135 4.556 0.005 0.000 0.334 590 H C -0.204 175.136 175.328 0.020 0.000 0.983 590 H CA -0.643 55.406 56.048 0.002 0.000 1.363 590 H CB 1.166 30.945 29.762 0.028 0.000 1.668 590 H HN 0.758 nan 8.280 nan 0.000 0.513 591 R N 3.328 123.593 120.500 -0.390 0.000 2.531 591 R HA 0.285 4.628 4.340 0.004 0.000 0.273 591 R C -0.355 175.715 176.300 -0.385 0.000 1.070 591 R CA -0.648 55.295 56.100 -0.262 0.000 1.112 591 R CB 0.331 30.536 30.300 -0.158 0.000 1.049 591 R HN 0.799 nan 8.270 nan 0.000 0.508 592 N N 1.499 120.128 118.700 -0.118 0.000 2.608 592 N HA -0.093 4.650 4.740 0.004 0.000 0.273 592 N C -1.984 173.622 175.510 0.159 0.000 1.133 592 N CA 0.429 53.475 53.050 -0.006 0.000 0.726 592 N CB -0.071 38.411 38.487 -0.010 0.000 0.890 592 N HN 0.661 nan 8.380 nan 0.000 0.548 593 P HA 0.099 nan 4.420 nan 0.000 0.245 593 P C 1.127 178.528 177.300 0.169 0.000 1.206 593 P CA 0.846 64.130 63.100 0.307 0.000 0.781 593 P CB 0.053 31.886 31.700 0.221 0.000 0.994 594 A N 1.516 124.413 122.820 0.129 0.000 1.892 594 A HA -0.204 4.118 4.320 0.004 0.000 0.218 594 A C 2.388 180.029 177.584 0.094 0.000 1.188 594 A CA 1.644 53.736 52.037 0.091 0.000 0.631 594 A CB -1.101 17.943 19.000 0.072 0.000 0.822 594 A HN 0.113 nan 8.150 nan 0.000 0.447 595 R N -1.522 119.054 120.500 0.126 0.000 2.161 595 R HA 0.105 4.447 4.340 0.004 0.000 0.213 595 R C 2.044 178.429 176.300 0.142 0.000 1.055 595 R CA 0.802 56.983 56.100 0.135 0.000 0.996 595 R CB -0.342 30.056 30.300 0.163 0.000 0.901 595 R HN 0.485 nan 8.270 nan 0.000 0.456 596 L N 0.402 121.727 121.223 0.170 0.000 2.083 596 L HA -0.132 4.210 4.340 0.004 0.000 0.209 596 L C 2.097 178.973 176.870 0.010 0.000 1.083 596 L CA 1.670 56.560 54.840 0.083 0.000 0.752 596 L CB -0.169 41.861 42.059 -0.048 0.000 0.899 596 L HN 0.112 nan 8.230 nan 0.000 0.433 597 M N -0.510 119.108 119.600 0.029 0.000 2.200 597 M HA -0.134 4.349 4.480 0.004 0.000 0.265 597 M C 2.185 178.477 176.300 -0.014 0.000 1.066 597 M CA 1.705 57.007 55.300 0.003 0.000 1.127 597 M CB -0.372 32.242 32.600 0.023 0.000 1.379 597 M HN 0.437 nan 8.290 nan 0.000 0.420 598 E N -1.545 118.658 120.200 0.006 0.000 2.106 598 E HA -0.172 4.181 4.350 0.004 0.000 0.192 598 E C 1.522 178.100 176.600 -0.037 0.000 0.984 598 E CA 1.638 58.037 56.400 -0.003 0.000 0.806 598 E CB -0.009 29.705 29.700 0.023 0.000 0.750 598 E HN 0.460 nan 8.360 nan 0.000 0.458 599 T N 1.078 115.599 114.554 -0.055 0.000 2.777 599 T HA -0.094 4.259 4.350 0.004 0.000 0.266 599 T C 1.790 176.356 174.700 -0.224 0.000 1.040 599 T CA 0.876 62.888 62.100 -0.148 0.000 1.141 599 T CB -0.141 68.572 68.868 -0.259 0.000 0.868 599 T HN 0.152 nan 8.240 nan 0.000 0.444 600 L N 0.178 121.282 121.223 -0.198 0.000 2.012 600 L HA -0.152 4.190 4.340 0.004 0.000 0.210 600 L C 2.898 179.657 176.870 -0.185 0.000 1.073 600 L CA 1.418 56.116 54.840 -0.238 0.000 0.748 600 L CB -0.267 41.695 42.059 -0.161 0.000 0.891 600 L HN 0.112 nan 8.230 nan 0.000 0.431 601 R N -0.337 120.095 120.500 -0.114 0.000 2.082 601 R HA -0.152 4.191 4.340 0.004 0.000 0.234 601 R C 2.243 178.483 176.300 -0.100 0.000 1.136 601 R CA 2.185 58.235 56.100 -0.084 0.000 0.935 601 R CB -1.181 29.095 30.300 -0.041 0.000 0.842 601 R HN 0.323 nan 8.270 nan 0.000 0.430 602 T N 1.174 115.670 114.554 -0.097 0.000 2.778 602 T HA -0.124 4.229 4.350 0.004 0.000 0.269 602 T C 1.745 176.375 174.700 -0.116 0.000 1.050 602 T CA 1.300 63.348 62.100 -0.088 0.000 1.137 602 T CB -0.193 68.636 68.868 -0.065 0.000 0.860 602 T HN 0.116 nan 8.240 nan 0.000 0.468 603 L N 0.374 121.493 121.223 -0.174 0.000 2.072 603 L HA 0.004 4.347 4.340 0.004 0.000 0.205 603 L C 2.986 179.754 176.870 -0.170 0.000 1.079 603 L CA 1.165 55.885 54.840 -0.200 0.000 0.752 603 L CB -0.593 41.268 42.059 -0.329 0.000 0.906 603 L HN 0.164 nan 8.230 nan 0.000 0.436 604 R N 1.150 121.550 120.500 -0.167 0.000 2.073 604 R HA -0.146 4.196 4.340 0.004 0.000 0.234 604 R C 2.152 178.378 176.300 -0.124 0.000 1.134 604 R CA 1.438 57.455 56.100 -0.138 0.000 0.952 604 R CB -0.096 30.129 30.300 -0.125 0.000 0.850 604 R HN 0.298 nan 8.270 nan 0.000 0.433 605 R N -0.001 120.430 120.500 -0.116 0.000 2.323 605 R HA -0.018 4.325 4.340 0.004 0.000 0.198 605 R C 1.809 178.045 176.300 -0.107 0.000 0.988 605 R CA 0.611 56.642 56.100 -0.115 0.000 1.041 605 R CB 0.118 30.363 30.300 -0.092 0.000 0.926 605 R HN 0.188 nan 8.270 nan 0.000 0.476 606 K N -0.865 119.476 120.400 -0.099 0.000 2.335 606 K HA 0.049 4.371 4.320 0.004 0.000 0.195 606 K C 0.876 177.426 176.600 -0.083 0.000 1.058 606 K CA 0.810 57.048 56.287 -0.082 0.000 0.988 606 K CB 0.789 33.247 32.500 -0.070 0.000 0.880 606 K HN 0.212 nan 8.250 nan 0.000 0.513 607 G N 0.940 109.683 108.800 -0.095 0.000 2.184 607 G HA2 -0.200 3.762 3.960 0.004 0.000 0.206 607 G HA3 -0.200 3.762 3.960 0.004 0.000 0.206 607 G C 0.402 175.251 174.900 -0.084 0.000 0.995 607 G CA 0.343 45.392 45.100 -0.084 0.000 0.651 607 G HN 0.324 nan 8.290 nan 0.000 0.511 608 D N -0.027 120.315 120.400 -0.098 0.000 2.178 608 D HA 0.002 4.644 4.640 0.004 0.000 0.201 608 D C 0.949 177.167 176.300 -0.137 0.000 0.980 608 D CA 0.895 54.831 54.000 -0.106 0.000 0.842 608 D CB 0.327 41.056 40.800 -0.118 0.000 0.948 608 D HN 0.328 nan 8.370 nan 0.000 0.472 609 I N 1.410 121.883 120.570 -0.161 0.000 2.433 609 I HA 0.088 4.260 4.170 0.004 0.000 0.292 609 I C 0.454 176.496 176.117 -0.125 0.000 1.001 609 I CA -1.424 59.774 61.300 -0.170 0.000 1.119 609 I CB 1.078 38.939 38.000 -0.231 0.000 1.289 609 I HN -0.188 nan 8.210 nan 0.000 0.438 610 N N 8.111 126.748 118.700 -0.104 0.000 2.217 610 N HA -0.060 4.682 4.740 0.004 0.000 0.268 610 N C -1.790 173.677 175.510 -0.072 0.000 1.290 610 N CA -0.473 52.530 53.050 -0.078 0.000 0.831 610 N CB 1.006 39.446 38.487 -0.078 0.000 1.057 610 N HN 0.295 nan 8.380 nan 0.000 0.481 611 P HA -0.093 nan 4.420 nan 0.000 0.225 611 P C 0.833 178.137 177.300 0.006 0.000 1.148 611 P CA 0.899 63.992 63.100 -0.012 0.000 0.779 611 P CB 0.231 31.954 31.700 0.038 0.000 0.780 612 E N -0.043 120.121 120.200 -0.059 0.000 2.285 612 E HA -0.026 4.327 4.350 0.004 0.000 0.194 612 E C 0.040 176.517 176.600 -0.206 0.000 0.997 612 E CA 0.221 56.486 56.400 -0.225 0.000 0.845 612 E CB 0.078 29.673 29.700 -0.174 0.000 0.782 612 E HN -0.043 nan 8.360 nan 0.000 0.491 613 V N 2.584 122.429 119.914 -0.116 0.000 2.521 613 V HA 0.016 4.138 4.120 0.004 0.000 0.286 613 V C 0.318 176.376 176.094 -0.060 0.000 1.034 613 V CA 0.141 62.398 62.300 -0.073 0.000 1.045 613 V CB 0.959 32.741 31.823 -0.068 0.000 0.974 613 V HN 0.259 nan 8.190 nan 0.000 0.480 614 S N 6.663 122.355 115.700 -0.013 0.000 2.525 614 S HA 0.801 5.274 4.470 0.004 0.000 0.290 614 S C -0.723 173.914 174.600 0.062 0.000 1.152 614 S CA -0.853 57.352 58.200 0.009 0.000 1.072 614 S CB 1.218 64.419 63.200 0.002 0.000 1.027 614 S HN 0.600 nan 8.310 nan 0.000 0.500 615 M N 3.616 123.241 119.600 0.042 0.000 2.067 615 M HA 0.415 4.898 4.480 0.004 0.000 0.286 615 M C -1.687 174.647 176.300 0.056 0.000 0.922 615 M CA -0.388 54.939 55.300 0.047 0.000 0.937 615 M CB 1.313 33.914 32.600 0.000 0.000 1.550 615 M HN 0.509 nan 8.290 nan 0.000 0.433 616 I N 2.990 123.607 120.570 0.079 0.000 2.330 616 I HA 0.417 4.590 4.170 0.004 0.000 0.286 616 I C 0.116 176.267 176.117 0.057 0.000 1.025 616 I CA -0.281 61.059 61.300 0.067 0.000 1.197 616 I CB 0.980 39.021 38.000 0.069 0.000 1.358 616 I HN 0.623 nan 8.210 nan 0.000 0.467 617 R N 4.282 124.810 120.500 0.046 0.000 2.254 617 R HA 0.329 4.671 4.340 0.004 0.000 0.318 617 R C -1.060 175.263 176.300 0.038 0.000 1.031 617 R CA -0.524 55.602 56.100 0.044 0.000 0.905 617 R CB 0.769 31.095 30.300 0.042 0.000 1.050 617 R HN 0.557 nan 8.270 nan 0.000 0.456 618 D N 4.423 124.845 120.400 0.036 0.000 2.329 618 D HA 0.146 4.789 4.640 0.004 0.000 0.232 618 D C 1.424 177.744 176.300 0.033 0.000 1.088 618 D CA -0.485 53.532 54.000 0.029 0.000 0.835 618 D CB 0.993 41.805 40.800 0.020 0.000 1.078 618 D HN 0.431 nan 8.370 nan 0.000 0.495 619 I N 2.889 123.477 120.570 0.030 0.000 2.202 619 I HA -0.156 4.017 4.170 0.004 0.000 0.242 619 I C 1.851 177.988 176.117 0.033 0.000 1.091 619 I CA 1.216 62.535 61.300 0.032 0.000 1.368 619 I CB -0.414 37.600 38.000 0.025 0.000 1.058 619 I HN 0.470 nan 8.210 nan 0.000 0.410 620 R N 0.221 120.737 120.500 0.028 0.000 2.254 620 R HA -0.032 4.310 4.340 0.004 0.000 0.195 620 R C 1.756 178.075 176.300 0.032 0.000 0.957 620 R CA 0.217 56.334 56.100 0.028 0.000 1.024 620 R CB 0.020 30.333 30.300 0.021 0.000 0.952 620 R HN 0.152 nan 8.270 nan 0.000 0.484 621 E N 1.914 122.133 120.200 0.031 0.000 2.447 621 E HA -0.042 4.311 4.350 0.004 0.000 0.195 621 E C -0.525 176.105 176.600 0.050 0.000 1.028 621 E CA 0.127 56.548 56.400 0.036 0.000 0.876 621 E CB 0.080 29.794 29.700 0.024 0.000 0.885 621 E HN 0.166 nan 8.360 nan 0.000 0.500 622 K N 0.578 121.007 120.400 0.048 0.000 4.007 622 K HA -0.275 4.047 4.320 0.004 0.000 0.279 622 K C -1.002 175.630 176.600 0.054 0.000 0.919 622 K CA 0.957 57.276 56.287 0.054 0.000 0.800 622 K CB -2.255 30.280 32.500 0.058 0.000 1.572 622 K HN 0.165 nan 8.250 nan 0.000 0.443 623 E N 0.349 120.582 120.200 0.055 0.000 2.392 623 E HA 0.632 4.984 4.350 0.004 0.000 0.269 623 E C -1.429 175.217 176.600 0.077 0.000 0.924 623 E CA -1.290 55.152 56.400 0.071 0.000 0.784 623 E CB 1.459 31.197 29.700 0.063 0.000 1.292 623 E HN 0.275 nan 8.360 nan 0.000 0.447 624 L N 2.306 123.595 121.223 0.110 0.000 2.529 624 L HA 0.366 4.709 4.340 0.004 0.000 0.260 624 L C -1.716 175.232 176.870 0.130 0.000 0.997 624 L CA -0.484 54.414 54.840 0.097 0.000 0.885 624 L CB 0.824 42.928 42.059 0.076 0.000 1.185 624 L HN 0.399 nan 8.230 nan 0.000 0.442 625 K N 5.773 126.238 120.400 0.107 0.000 2.293 625 K HA 0.608 4.930 4.320 0.004 0.000 0.267 625 K C -0.872 175.786 176.600 0.097 0.000 1.010 625 K CA -0.590 55.755 56.287 0.095 0.000 0.875 625 K CB 2.037 34.575 32.500 0.063 0.000 1.106 625 K HN 0.389 nan 8.250 nan 0.000 0.450 626 I N 3.299 123.880 120.570 0.019 0.000 2.336 626 I HA 0.284 4.456 4.170 0.004 0.000 0.292 626 I C -0.724 175.359 176.117 -0.056 0.000 0.991 626 I CA -0.365 60.947 61.300 0.021 0.000 1.227 626 I CB 0.555 38.546 38.000 -0.015 0.000 1.366 626 I HN 0.434 nan 8.210 nan 0.000 0.466 627 F N 3.824 123.765 119.950 -0.015 0.000 2.444 627 F HA 0.409 4.939 4.527 0.005 0.000 0.342 627 F C 0.620 176.398 175.800 -0.037 0.000 1.121 627 F CA -0.285 57.703 58.000 -0.020 0.000 0.997 627 F CB 1.938 40.920 39.000 -0.030 0.000 1.130 627 F HN 0.352 nan 8.300 nan 0.000 0.454 628 T N 0.684 115.305 114.554 0.112 0.000 3.380 628 T HA 0.091 4.443 4.350 0.004 0.000 0.289 628 T C -0.281 174.460 174.700 0.068 0.000 1.012 628 T CA -0.468 61.664 62.100 0.054 0.000 0.944 628 T CB -0.419 68.443 68.868 -0.009 0.000 1.172 628 T HN 0.338 nan 8.240 nan 0.000 0.502 629 D N 2.206 122.697 120.400 0.151 0.000 2.369 629 D HA 0.471 5.114 4.640 0.004 0.000 0.241 629 D C 0.050 176.383 176.300 0.055 0.000 1.271 629 D CA -0.177 53.893 54.000 0.116 0.000 0.942 629 D CB 0.692 41.604 40.800 0.187 0.000 1.129 629 D HN 0.365 nan 8.370 nan 0.000 0.476 630 A N 0.184 123.026 122.820 0.036 0.000 2.316 630 A HA 0.608 4.931 4.320 0.004 0.000 0.324 630 A C 0.536 178.125 177.584 0.009 0.000 1.375 630 A CA 0.184 52.234 52.037 0.022 0.000 0.882 630 A CB 0.214 19.228 19.000 0.023 0.000 1.152 630 A HN 0.709 nan 8.150 nan 0.000 0.512 631 G N 1.998 110.801 108.800 0.004 0.000 2.148 631 G HA2 -0.123 3.840 3.960 0.004 0.000 0.120 631 G HA3 -0.123 3.840 3.960 0.004 0.000 0.120 631 G C 0.034 174.900 174.900 -0.057 0.000 1.034 631 G CA -0.753 44.333 45.100 -0.024 0.000 0.710 631 G HN 0.726 nan 8.290 nan 0.000 0.495 632 R N 0.486 120.975 120.500 -0.019 0.000 2.347 632 R HA 0.441 4.784 4.340 0.004 0.000 0.304 632 R C 0.434 176.768 176.300 0.056 0.000 1.072 632 R CA -0.194 55.890 56.100 -0.027 0.000 0.980 632 R CB 1.343 31.642 30.300 -0.000 0.000 0.986 632 R HN 0.097 nan 8.270 nan 0.000 0.448 633 V N 4.991 124.893 119.914 -0.020 0.000 2.686 633 V HA 0.357 4.479 4.120 0.004 0.000 0.295 633 V C -0.396 175.776 176.094 0.130 0.000 1.057 633 V CA -0.344 61.961 62.300 0.009 0.000 1.012 633 V CB 0.662 32.517 31.823 0.054 0.000 1.006 633 V HN 0.779 nan 8.190 nan 0.000 0.477 634 Y N 2.565 122.850 120.300 -0.025 0.000 2.656 634 Y HA 0.873 5.426 4.550 0.005 0.000 0.334 634 Y C -0.855 175.028 175.900 -0.029 0.000 1.179 634 Y CA -1.635 56.456 58.100 -0.014 0.000 1.050 634 Y CB 1.490 39.934 38.460 -0.026 0.000 1.308 634 Y HN 0.726 nan 8.280 nan 0.000 0.456 635 R N 0.661 121.296 120.500 0.225 0.000 2.710 635 R HA 0.601 4.944 4.340 0.004 0.000 0.270 635 R C -3.167 173.204 176.300 0.118 0.000 1.021 635 R CA -1.491 54.642 56.100 0.056 0.000 0.889 635 R CB 1.570 31.829 30.300 -0.069 0.000 1.243 635 R HN 0.590 nan 8.270 nan 0.000 0.464 636 P HA -0.317 nan 4.420 nan 0.000 0.283 636 P C -0.220 177.053 177.300 -0.046 0.000 1.671 636 P CA 1.563 64.622 63.100 -0.068 0.000 1.549 636 P CB -0.122 31.456 31.700 -0.202 0.000 0.494 637 L N -5.481 115.639 121.223 -0.171 0.000 2.307 637 L HA 0.564 4.907 4.340 0.004 0.000 0.252 637 L C 0.600 177.344 176.870 -0.210 0.000 1.191 637 L CA -1.011 53.690 54.840 -0.232 0.000 1.206 637 L CB -0.910 41.042 42.059 -0.179 0.000 1.687 637 L HN 0.071 nan 8.230 nan 0.000 0.520 638 F N -0.014 119.879 119.950 -0.096 0.000 2.579 638 F HA 0.289 4.819 4.527 0.005 0.000 0.311 638 F C 0.401 176.157 175.800 -0.073 0.000 1.272 638 F CA 0.326 58.274 58.000 -0.086 0.000 1.335 638 F CB 0.271 39.246 39.000 -0.042 0.000 1.191 638 F HN 0.180 nan 8.300 nan 0.000 0.575 639 I N 0.682 121.380 120.570 0.213 0.000 2.608 639 I HA 0.382 4.554 4.170 0.004 0.000 0.295 639 I C -1.242 174.950 176.117 0.125 0.000 1.049 639 I CA -0.778 60.619 61.300 0.161 0.000 1.063 639 I CB 2.130 40.174 38.000 0.073 0.000 1.248 639 I HN 0.049 nan 8.210 nan 0.000 0.424 640 V N 4.629 124.636 119.914 0.155 0.000 2.531 640 V HA 0.538 4.660 4.120 0.004 0.000 0.301 640 V C -0.667 175.483 176.094 0.092 0.000 1.034 640 V CA -0.413 61.953 62.300 0.110 0.000 0.865 640 V CB 1.998 33.906 31.823 0.142 0.000 0.995 640 V HN 0.736 nan 8.190 nan 0.000 0.424 641 E N 1.733 121.974 120.200 0.068 0.000 2.429 641 E HA 0.476 4.828 4.350 0.004 0.000 0.276 641 E C -0.947 175.681 176.600 0.048 0.000 0.953 641 E CA -0.526 55.906 56.400 0.052 0.000 0.787 641 E CB 1.861 31.583 29.700 0.036 0.000 1.307 641 E HN 0.740 nan 8.360 nan 0.000 0.458 642 D N 0.407 120.829 120.400 0.037 0.000 2.434 642 D HA 0.045 4.687 4.640 0.004 0.000 0.232 642 D C -0.225 176.076 176.300 0.003 0.000 1.166 642 D CA -0.081 53.935 54.000 0.027 0.000 0.830 642 D CB 0.102 40.921 40.800 0.032 0.000 0.960 642 D HN 0.276 nan 8.370 nan 0.000 0.497 643 D N 1.097 121.499 120.400 0.004 0.000 2.404 643 D HA -0.073 4.570 4.640 0.004 0.000 0.256 643 D C -0.150 176.136 176.300 -0.023 0.000 1.189 643 D CA 0.688 54.685 54.000 -0.004 0.000 0.965 643 D CB 0.128 40.931 40.800 0.004 0.000 0.901 643 D HN 0.304 nan 8.370 nan 0.000 0.517 644 E N 0.060 120.233 120.200 -0.046 0.000 2.070 644 E HA 0.081 4.434 4.350 0.004 0.000 0.261 644 E C 0.755 177.310 176.600 -0.075 0.000 0.926 644 E CA -0.243 56.107 56.400 -0.083 0.000 0.760 644 E CB 1.678 31.277 29.700 -0.168 0.000 1.133 644 E HN -0.136 nan 8.360 nan 0.000 0.420 645 S N 2.644 118.314 115.700 -0.049 0.000 2.359 645 S HA -0.060 4.412 4.470 0.004 0.000 0.224 645 S C 1.138 175.710 174.600 -0.045 0.000 1.035 645 S CA 0.945 59.123 58.200 -0.036 0.000 1.018 645 S CB 0.145 63.331 63.200 -0.024 0.000 0.876 645 S HN 0.478 nan 8.310 nan 0.000 0.448 646 L N 1.694 122.881 121.223 -0.060 0.000 2.719 646 L HA 0.429 4.771 4.340 0.004 0.000 0.236 646 L C 0.292 177.094 176.870 -0.114 0.000 1.285 646 L CA -0.107 54.697 54.840 -0.061 0.000 1.222 646 L CB 0.093 42.127 42.059 -0.041 0.000 1.493 646 L HN 0.445 nan 8.230 nan 0.000 0.415 647 G N 1.519 110.230 108.800 -0.149 0.000 2.881 647 G HA2 -0.007 3.956 3.960 0.004 0.000 0.597 647 G HA3 -0.007 3.956 3.960 0.004 0.000 0.597 647 G C -0.058 174.438 174.900 -0.674 0.000 1.188 647 G CA -0.454 44.482 45.100 -0.273 0.000 1.218 647 G HN 0.791 nan 8.290 nan 0.000 0.544 648 H N -1.179 117.898 119.070 0.012 0.000 1.454 648 H HA -0.189 4.370 4.556 0.004 0.000 0.091 648 H C -0.099 175.244 175.328 0.025 0.000 2.041 648 H CA 0.795 56.853 56.048 0.017 0.000 1.900 648 H CB -0.354 29.420 29.762 0.021 0.000 2.256 648 H HN 0.760 nan 8.280 nan 0.000 0.961 649 K N 1.172 121.744 120.400 0.287 0.000 2.276 649 K HA 0.304 4.626 4.320 0.004 0.000 0.283 649 K C -0.125 176.649 176.600 0.289 0.000 1.044 649 K CA -0.007 56.402 56.287 0.203 0.000 0.944 649 K CB 0.838 33.435 32.500 0.163 0.000 1.012 649 K HN 0.463 nan 8.250 nan 0.000 0.472 650 E N 2.825 123.121 120.200 0.161 0.000 2.413 650 E HA 0.328 4.681 4.350 0.004 0.000 0.277 650 E C -1.407 175.234 176.600 0.067 0.000 0.958 650 E CA -0.706 55.772 56.400 0.130 0.000 0.779 650 E CB 0.997 30.731 29.700 0.057 0.000 1.278 650 E HN 0.396 nan 8.360 nan 0.000 0.456 651 L N 2.791 124.030 121.223 0.027 0.000 2.467 651 L HA 0.234 4.577 4.340 0.004 0.000 0.270 651 L C 1.620 178.472 176.870 -0.030 0.000 1.205 651 L CA 0.150 54.970 54.840 -0.033 0.000 0.828 651 L CB 0.501 42.485 42.059 -0.124 0.000 1.101 651 L HN 0.597 nan 8.230 nan 0.000 0.479 652 K N 1.077 121.452 120.400 -0.041 0.000 2.044 652 K HA 0.059 4.382 4.320 0.004 0.000 0.204 652 K C 0.140 176.734 176.600 -0.011 0.000 1.045 652 K CA 0.464 56.739 56.287 -0.019 0.000 0.951 652 K CB 0.137 32.624 32.500 -0.022 0.000 0.738 652 K HN 0.341 nan 8.250 nan 0.000 0.443 653 V N 3.945 123.800 119.914 -0.097 0.000 2.644 653 V HA -0.098 4.025 4.120 0.004 0.000 0.305 653 V C 0.598 176.742 176.094 0.084 0.000 1.053 653 V CA 0.522 62.795 62.300 -0.044 0.000 1.186 653 V CB 0.049 31.737 31.823 -0.226 0.000 0.895 653 V HN 0.274 nan 8.190 nan 0.000 0.490 654 R N 3.190 123.885 120.500 0.325 0.000 2.939 654 R HA 0.429 4.772 4.340 0.004 0.000 0.254 654 R C 1.076 177.406 176.300 0.050 0.000 1.123 654 R CA -1.090 55.065 56.100 0.092 0.000 1.020 654 R CB 0.621 30.921 30.300 0.001 0.000 1.206 654 R HN 0.534 nan 8.270 nan 0.000 0.491 655 K N 0.570 120.972 120.400 0.003 0.000 2.103 655 K HA -0.126 4.197 4.320 0.004 0.000 0.207 655 K C 1.742 178.336 176.600 -0.010 0.000 1.048 655 K CA 2.012 58.305 56.287 0.010 0.000 0.930 655 K CB -0.435 32.066 32.500 0.002 0.000 0.716 655 K HN 0.740 nan 8.250 nan 0.000 0.444 656 G N 0.238 108.986 108.800 -0.086 0.000 2.422 656 G HA2 -0.244 3.718 3.960 0.004 0.000 0.218 656 G HA3 -0.244 3.718 3.960 0.004 0.000 0.218 656 G C 1.206 176.018 174.900 -0.147 0.000 1.146 656 G CA 0.738 45.748 45.100 -0.151 0.000 0.769 656 G HN 0.362 nan 8.290 nan 0.000 0.547 657 H N 0.261 119.313 119.070 -0.030 0.000 2.389 657 H HA 0.043 4.602 4.556 0.004 0.000 0.299 657 H C 2.692 178.068 175.328 0.079 0.000 1.081 657 H CA 1.040 57.080 56.048 -0.012 0.000 1.345 657 H CB -0.043 29.755 29.762 0.059 0.000 1.393 657 H HN 0.354 nan 8.280 nan 0.000 0.520 658 I N 0.748 121.439 120.570 0.201 0.000 2.163 658 I HA -0.195 3.978 4.170 0.004 0.000 0.240 658 I C 2.800 179.007 176.117 0.150 0.000 1.081 658 I CA 1.017 62.431 61.300 0.190 0.000 1.353 658 I CB -0.323 37.771 38.000 0.156 0.000 1.054 658 I HN 0.119 nan 8.210 nan 0.000 0.407 659 A N 0.249 123.123 122.820 0.089 0.000 2.032 659 A HA -0.293 4.029 4.320 0.004 0.000 0.221 659 A C 2.345 179.976 177.584 0.078 0.000 1.165 659 A CA 1.967 54.043 52.037 0.065 0.000 0.645 659 A CB -0.603 18.410 19.000 0.021 0.000 0.807 659 A HN 0.381 nan 8.150 nan 0.000 0.453 660 K N -0.770 119.670 120.400 0.067 0.000 2.155 660 K HA 0.073 4.395 4.320 0.004 0.000 0.203 660 K C 1.695 178.414 176.600 0.197 0.000 1.052 660 K CA 0.834 57.160 56.287 0.064 0.000 0.948 660 K CB -0.175 32.254 32.500 -0.118 0.000 0.728 660 K HN 0.502 nan 8.250 nan 0.000 0.448 661 L N 0.068 121.447 121.223 0.261 0.000 2.162 661 L HA -0.010 4.333 4.340 0.004 0.000 0.205 661 L C 2.307 179.314 176.870 0.228 0.000 1.086 661 L CA 0.739 55.758 54.840 0.298 0.000 0.778 661 L CB -0.091 42.158 42.059 0.317 0.000 0.928 661 L HN 0.179 nan 8.230 nan 0.000 0.446 662 M N -0.795 118.922 119.600 0.196 0.000 2.476 662 M HA -0.055 4.428 4.480 0.004 0.000 0.262 662 M C 2.248 178.659 176.300 0.184 0.000 1.079 662 M CA 0.960 56.364 55.300 0.175 0.000 1.104 662 M CB -0.270 32.414 32.600 0.140 0.000 1.409 662 M HN 0.280 nan 8.290 nan 0.000 0.467 663 A N -0.044 122.885 122.820 0.182 0.000 2.121 663 A HA -0.086 4.236 4.320 0.004 0.000 0.218 663 A C 1.981 179.696 177.584 0.218 0.000 1.154 663 A CA 1.638 53.806 52.037 0.218 0.000 0.679 663 A CB -0.715 18.387 19.000 0.169 0.000 0.795 663 A HN 0.444 nan 8.150 nan 0.000 0.458 664 T N -0.955 113.713 114.554 0.190 0.000 3.037 664 T HA 0.060 4.413 4.350 0.004 0.000 0.251 664 T C 1.528 176.312 174.700 0.141 0.000 1.079 664 T CA 0.828 63.021 62.100 0.155 0.000 1.067 664 T CB 0.160 69.126 68.868 0.162 0.000 0.948 664 T HN 0.619 nan 8.240 nan 0.000 0.496 665 E N 0.558 120.860 120.200 0.169 0.000 2.051 665 E HA -0.067 4.286 4.350 0.004 0.000 0.189 665 E C 1.792 178.493 176.600 0.169 0.000 0.979 665 E CA 0.708 57.201 56.400 0.155 0.000 0.803 665 E CB -0.208 29.588 29.700 0.160 0.000 0.761 665 E HN 0.458 nan 8.360 nan 0.000 0.451 666 Y N 2.003 122.340 120.300 0.061 0.000 2.151 666 Y HA -0.240 4.313 4.550 0.004 0.000 0.284 666 Y C 1.547 177.472 175.900 0.042 0.000 1.166 666 Y CA 1.523 59.651 58.100 0.047 0.000 1.163 666 Y CB -0.176 38.311 38.460 0.046 0.000 0.974 666 Y HN -0.071 nan 8.280 nan 0.000 0.511 667 Q N 2.390 122.152 119.800 -0.064 0.000 3.141 667 Q HA 0.166 4.509 4.340 0.004 0.000 0.304 667 Q C -1.523 174.447 176.000 -0.051 0.000 1.305 667 Q CA 0.100 55.820 55.803 -0.140 0.000 0.929 667 Q CB -0.648 28.049 28.738 -0.068 0.000 1.701 667 Q HN 0.396 nan 8.270 nan 0.000 0.483 679 Y N 3.684 124.030 120.300 0.075 0.000 2.465 679 Y HA 0.379 4.931 4.550 0.005 0.000 0.331 679 Y C 0.276 176.239 175.900 0.104 0.000 1.102 679 Y CA 1.024 59.174 58.100 0.084 0.000 1.358 679 Y CB 0.896 39.412 38.460 0.094 0.000 1.213 679 Y HN 0.232 nan 8.280 nan 0.000 0.525 680 T N 2.014 116.442 114.554 -0.209 0.000 2.831 680 T HA 0.088 4.441 4.350 0.004 0.000 0.287 680 T C 0.682 175.298 174.700 -0.139 0.000 1.070 680 T CA -0.841 61.215 62.100 -0.073 0.000 1.010 680 T CB 0.517 69.398 68.868 0.021 0.000 1.264 680 T HN 0.860 nan 8.240 nan 0.000 0.532 681 W N 0.794 122.015 121.300 -0.131 0.000 2.290 681 W HA -0.277 4.386 4.660 0.005 0.000 0.328 681 W C 2.280 178.720 176.519 -0.131 0.000 1.272 681 W CA 2.501 59.788 57.345 -0.096 0.000 1.262 681 W CB -0.732 28.725 29.460 -0.004 0.000 1.151 681 W HN 0.738 nan 8.180 nan 0.000 0.473 682 S N 0.219 115.949 115.700 0.050 0.000 2.402 682 S HA -0.232 4.241 4.470 0.004 0.000 0.233 682 S C 1.985 176.464 174.600 -0.201 0.000 1.030 682 S CA 2.375 60.543 58.200 -0.053 0.000 1.003 682 S CB -0.558 62.660 63.200 0.030 0.000 0.813 682 S HN 0.438 nan 8.310 nan 0.000 0.477 683 S N 0.273 115.809 115.700 -0.272 0.000 2.496 683 S HA 0.204 4.676 4.470 0.004 0.000 0.224 683 S C 1.722 176.054 174.600 -0.447 0.000 0.996 683 S CA 0.149 58.146 58.200 -0.338 0.000 0.927 683 S CB -0.353 62.619 63.200 -0.381 0.000 0.774 683 S HN 0.490 nan 8.310 nan 0.000 0.524 684 L N 0.021 120.916 121.223 -0.547 0.000 2.156 684 L HA 0.120 4.462 4.340 0.004 0.000 0.208 684 L C 2.373 178.949 176.870 -0.490 0.000 1.095 684 L CA 0.709 55.258 54.840 -0.485 0.000 0.770 684 L CB -0.309 41.424 42.059 -0.542 0.000 0.914 684 L HN 0.320 nan 8.230 nan 0.000 0.439 685 L N -0.257 120.617 121.223 -0.581 0.000 2.156 685 L HA -0.122 4.221 4.340 0.004 0.000 0.208 685 L C 2.162 178.846 176.870 -0.310 0.000 1.095 685 L CA 1.335 55.861 54.840 -0.523 0.000 0.770 685 L CB -0.375 41.368 42.059 -0.528 0.000 0.914 685 L HN 0.280 nan 8.230 nan 0.000 0.439 686 N N -0.698 117.862 118.700 -0.233 0.000 2.395 686 N HA -0.071 4.671 4.740 0.004 0.000 0.175 686 N C 1.148 176.597 175.510 -0.101 0.000 1.029 686 N CA 0.657 53.623 53.050 -0.140 0.000 0.897 686 N CB 0.076 38.504 38.487 -0.098 0.000 0.991 686 N HN 0.458 nan 8.380 nan 0.000 0.441 687 E N 0.612 120.753 120.200 -0.098 0.000 2.494 687 E HA 0.086 4.439 4.350 0.004 0.000 0.193 687 E C 0.159 176.704 176.600 -0.092 0.000 1.074 687 E CA -0.252 56.118 56.400 -0.048 0.000 0.867 687 E CB -0.030 29.687 29.700 0.029 0.000 0.924 687 E HN 0.258 nan 8.360 nan 0.000 0.502 688 G N 1.947 110.662 108.800 -0.141 0.000 2.363 688 G HA2 -0.252 3.711 3.960 0.004 0.000 0.286 688 G HA3 -0.252 3.711 3.960 0.004 0.000 0.286 688 G C 0.455 175.270 174.900 -0.142 0.000 0.975 688 G CA 0.244 45.257 45.100 -0.145 0.000 1.309 688 G HN 0.312 nan 8.290 nan 0.000 0.491 689 L N -1.462 119.644 121.223 -0.195 0.000 2.749 689 L HA 0.306 4.648 4.340 0.004 0.000 0.242 689 L C 0.830 177.629 176.870 -0.119 0.000 1.103 689 L CA 0.010 54.755 54.840 -0.159 0.000 0.906 689 L CB 0.293 42.215 42.059 -0.228 0.000 1.228 689 L HN 0.239 nan 8.230 nan 0.000 0.517 690 V N -0.401 119.357 119.914 -0.261 0.000 3.113 690 V HA 0.491 4.614 4.120 0.004 0.000 0.316 690 V C -0.922 174.939 176.094 -0.389 0.000 1.125 690 V CA -0.621 61.479 62.300 -0.332 0.000 1.026 690 V CB 2.762 34.198 31.823 -0.645 0.000 1.080 690 V HN 0.129 nan 8.190 nan 0.000 0.444 691 E N 0.325 120.281 120.200 -0.408 0.000 2.415 691 E HA 0.304 4.657 4.350 0.004 0.000 0.302 691 E C -1.882 174.529 176.600 -0.316 0.000 0.907 691 E CA -0.547 55.626 56.400 -0.378 0.000 0.798 691 E CB 1.193 30.740 29.700 -0.254 0.000 1.315 691 E HN 0.664 nan 8.360 nan 0.000 0.396 692 Y N 4.180 124.409 120.300 -0.118 0.000 2.677 692 Y HA 0.055 4.607 4.550 0.005 0.000 0.335 692 Y C 0.505 176.324 175.900 -0.134 0.000 1.162 692 Y CA -0.299 57.744 58.100 -0.094 0.000 1.483 692 Y CB 0.342 38.649 38.460 -0.255 0.000 1.209 692 Y HN 0.332 nan 8.280 nan 0.000 0.528 693 I N 5.298 125.941 120.570 0.122 0.000 2.355 693 I HA 0.085 4.258 4.170 0.004 0.000 0.288 693 I C 0.186 176.390 176.117 0.145 0.000 0.999 693 I CA -0.989 60.355 61.300 0.072 0.000 1.163 693 I CB 0.866 38.884 38.000 0.030 0.000 1.316 693 I HN 0.700 nan 8.210 nan 0.000 0.454 694 D N 5.755 126.214 120.400 0.099 0.000 2.478 694 D HA 0.273 4.916 4.640 0.004 0.000 0.269 694 D C 0.829 177.202 176.300 0.122 0.000 1.232 694 D CA -0.378 53.700 54.000 0.130 0.000 1.059 694 D CB 1.593 42.422 40.800 0.048 0.000 1.104 694 D HN 0.408 nan 8.370 nan 0.000 0.566 695 A N -0.228 122.662 122.820 0.116 0.000 1.898 695 A HA -0.165 4.158 4.320 0.004 0.000 0.216 695 A C 2.093 179.779 177.584 0.170 0.000 1.181 695 A CA 1.882 54.019 52.037 0.168 0.000 0.620 695 A CB -0.807 18.314 19.000 0.202 0.000 0.819 695 A HN 0.687 nan 8.150 nan 0.000 0.442 696 E N 0.053 120.295 120.200 0.070 0.000 2.047 696 E HA -0.201 4.151 4.350 0.004 0.000 0.191 696 E C 1.952 178.583 176.600 0.051 0.000 0.987 696 E CA 1.643 58.056 56.400 0.021 0.000 0.799 696 E CB -0.242 29.362 29.700 -0.159 0.000 0.752 696 E HN 0.698 nan 8.360 nan 0.000 0.449 697 E N 0.198 120.429 120.200 0.051 0.000 2.204 697 E HA -0.239 4.114 4.350 0.004 0.000 0.195 697 E C 1.800 178.466 176.600 0.110 0.000 0.990 697 E CA 1.021 57.467 56.400 0.076 0.000 0.821 697 E CB -0.093 29.653 29.700 0.075 0.000 0.750 697 E HN 0.328 nan 8.360 nan 0.000 0.477 698 E N 0.155 120.434 120.200 0.131 0.000 2.273 698 E HA -0.219 4.134 4.350 0.004 0.000 0.198 698 E C 1.574 178.248 176.600 0.124 0.000 1.002 698 E CA 0.850 57.340 56.400 0.150 0.000 0.828 698 E CB 0.135 29.935 29.700 0.167 0.000 0.747 698 E HN 0.266 nan 8.360 nan 0.000 0.491 699 E N -0.488 119.783 120.200 0.118 0.000 2.347 699 E HA -0.090 4.263 4.350 0.004 0.000 0.196 699 E C 1.753 178.391 176.600 0.064 0.000 1.008 699 E CA 1.049 57.509 56.400 0.100 0.000 0.852 699 E CB 0.266 30.026 29.700 0.100 0.000 0.783 699 E HN 0.246 nan 8.360 nan 0.000 0.505 700 S N -0.012 115.724 115.700 0.061 0.000 2.539 700 S HA 0.125 4.598 4.470 0.004 0.000 0.221 700 S C 0.832 175.443 174.600 0.018 0.000 0.987 700 S CA -0.599 57.624 58.200 0.038 0.000 0.929 700 S CB 0.081 63.305 63.200 0.041 0.000 0.832 700 S HN 0.180 nan 8.310 nan 0.000 0.492 701 I N -0.599 119.986 120.570 0.025 0.000 2.846 701 I HA 0.746 4.919 4.170 0.004 0.000 0.307 701 I C -1.629 174.486 176.117 -0.004 0.000 1.053 701 I CA -1.507 59.777 61.300 -0.027 0.000 1.050 701 I CB 1.948 39.925 38.000 -0.039 0.000 1.239 701 I HN 0.183 nan 8.210 nan 0.000 0.439 702 L N 5.398 126.611 121.223 -0.016 0.000 2.325 702 L HA 0.607 4.950 4.340 0.004 0.000 0.281 702 L C -1.118 175.879 176.870 0.212 0.000 1.004 702 L CA -0.242 54.641 54.840 0.072 0.000 0.823 702 L CB 1.290 43.360 42.059 0.018 0.000 1.236 702 L HN 0.566 nan 8.230 nan 0.000 0.415 703 I N 4.465 125.166 120.570 0.219 0.000 2.460 703 I HA 0.623 4.796 4.170 0.004 0.000 0.298 703 I C 0.164 176.294 176.117 0.023 0.000 0.989 703 I CA -0.671 60.728 61.300 0.165 0.000 1.173 703 I CB 1.918 39.985 38.000 0.112 0.000 1.338 703 I HN 0.765 nan 8.210 nan 0.000 0.456 704 A N 5.320 127.926 122.820 -0.357 0.000 2.309 704 A HA 0.415 4.738 4.320 0.004 0.000 0.298 704 A C 0.495 177.896 177.584 -0.306 0.000 1.165 704 A CA -0.488 51.102 52.037 -0.744 0.000 0.821 704 A CB 0.990 19.229 19.000 -1.269 0.000 1.102 704 A HN 0.840 nan 8.150 nan 0.000 0.500 705 M N 0.680 120.133 119.600 -0.246 0.000 2.334 705 M HA 0.065 4.548 4.480 0.004 0.000 0.266 705 M C 0.395 176.602 176.300 -0.156 0.000 1.082 705 M CA 1.727 56.934 55.300 -0.154 0.000 1.141 705 M CB -0.025 32.484 32.600 -0.152 0.000 1.380 705 M HN 0.749 nan 8.290 nan 0.000 0.440 706 Q N -0.164 119.533 119.800 -0.173 0.000 2.305 706 Q HA 0.321 4.663 4.340 0.004 0.000 0.271 706 Q C -2.156 173.774 176.000 -0.117 0.000 1.046 706 Q CA -2.090 53.641 55.803 -0.120 0.000 0.798 706 Q CB 2.012 30.689 28.738 -0.101 0.000 1.286 706 Q HN -0.026 nan 8.270 nan 0.000 0.435 707 P HA -0.220 nan 4.420 nan 0.000 0.211 707 P C -0.094 177.162 177.300 -0.073 0.000 0.969 707 P CA 0.883 63.941 63.100 -0.070 0.000 0.938 707 P CB 0.147 31.816 31.700 -0.052 0.000 0.603 708 E N 0.919 121.095 120.200 -0.039 0.000 2.418 708 E HA 0.039 4.392 4.350 0.004 0.000 0.261 708 E C -0.018 176.571 176.600 -0.018 0.000 1.070 708 E CA 0.643 57.036 56.400 -0.013 0.000 0.931 708 E CB -0.505 29.202 29.700 0.011 0.000 0.954 708 E HN 0.227 nan 8.360 nan 0.000 0.439 709 D N -0.074 120.320 120.400 -0.011 0.000 10.757 709 D HA -0.218 4.425 4.640 0.004 0.000 0.352 709 D C 0.883 177.115 176.300 -0.114 0.000 3.129 709 D CA 0.914 54.886 54.000 -0.047 0.000 2.630 709 D CB -0.275 40.498 40.800 -0.045 0.000 1.214 709 D HN 0.595 nan 8.370 nan 0.000 0.943 710 L N -1.097 119.970 121.223 -0.261 0.000 4.999 710 L HA -0.328 4.015 4.340 0.004 0.000 0.449 710 L C 0.789 177.664 176.870 0.008 0.000 1.079 710 L CA 2.276 56.942 54.840 -0.291 0.000 0.950 710 L CB -1.189 40.729 42.059 -0.235 0.000 1.809 710 L HN 0.774 nan 8.230 nan 0.000 0.855 711 E N -1.787 118.448 120.200 0.059 0.000 3.124 711 E HA 0.380 4.732 4.350 0.004 0.000 0.331 711 E C -2.800 173.845 176.600 0.075 0.000 1.139 711 E CA -1.084 55.412 56.400 0.159 0.000 0.949 711 E CB 1.214 31.014 29.700 0.166 0.000 1.423 711 E HN 0.134 nan 8.360 nan 0.000 0.388 712 P HA 0.513 nan 4.420 nan 0.000 0.352 712 P C -0.273 176.985 177.300 -0.070 0.000 1.163 712 P CA -0.482 62.615 63.100 -0.005 0.000 0.775 712 P CB 0.682 32.407 31.700 0.041 0.000 1.524 713 A N -0.350 122.418 122.820 -0.086 0.000 2.366 713 A HA 0.248 4.571 4.320 0.004 0.000 0.250 713 A C 0.298 177.815 177.584 -0.112 0.000 1.099 713 A CA 0.273 52.246 52.037 -0.107 0.000 0.794 713 A CB -0.482 18.480 19.000 -0.064 0.000 1.056 713 A HN 0.411 nan 8.150 nan 0.000 0.499 714 E N -0.095 120.012 120.200 -0.155 0.000 2.593 714 E HA 0.534 4.887 4.350 0.004 0.000 0.232 714 E C -0.637 175.892 176.600 -0.119 0.000 1.026 714 E CA -0.027 56.252 56.400 -0.202 0.000 0.772 714 E CB 1.094 30.582 29.700 -0.354 0.000 1.310 714 E HN 0.792 nan 8.360 nan 0.000 0.413 723 V N 0.852 120.786 119.914 0.033 0.000 2.448 723 V HA 0.618 4.741 4.120 0.004 0.000 0.295 723 V C -0.713 175.403 176.094 0.037 0.000 1.025 723 V CA -0.765 61.557 62.300 0.037 0.000 0.859 723 V CB 1.576 33.422 31.823 0.039 0.000 0.988 723 V HN 0.114 nan 8.190 nan 0.000 0.431 724 D N 6.356 126.780 120.400 0.041 0.000 2.426 724 D HA 0.224 4.867 4.640 0.004 0.000 0.261 724 D C -1.583 174.742 176.300 0.042 0.000 1.245 724 D CA -0.839 53.186 54.000 0.042 0.000 0.917 724 D CB 1.389 42.217 40.800 0.047 0.000 1.123 724 D HN 0.511 nan 8.370 nan 0.000 0.508 725 P HA 0.014 nan 4.420 nan 0.000 0.244 725 P C 0.156 177.479 177.300 0.038 0.000 1.211 725 P CA 0.328 63.450 63.100 0.036 0.000 0.760 725 P CB 0.394 32.113 31.700 0.031 0.000 0.961 726 A N -0.864 121.982 122.820 0.044 0.000 2.014 726 A HA 0.077 4.399 4.320 0.004 0.000 0.210 726 A C 1.016 178.636 177.584 0.060 0.000 1.188 726 A CA 0.259 52.325 52.037 0.048 0.000 0.731 726 A CB -0.286 18.742 19.000 0.047 0.000 0.858 726 A HN 0.098 nan 8.150 nan 0.000 0.464 727 K N 1.637 122.074 120.400 0.063 0.000 2.414 727 K HA 0.157 4.480 4.320 0.004 0.000 0.272 727 K C 0.403 177.042 176.600 0.064 0.000 0.993 727 K CA -0.228 56.103 56.287 0.074 0.000 0.964 727 K CB 0.484 33.027 32.500 0.072 0.000 0.925 727 K HN 0.600 nan 8.250 nan 0.000 0.487 728 R N 1.900 122.441 120.500 0.069 0.000 2.801 728 R HA 0.129 4.472 4.340 0.004 0.000 0.273 728 R C -0.121 176.206 176.300 0.045 0.000 1.080 728 R CA -0.455 55.675 56.100 0.050 0.000 1.197 728 R CB 0.182 30.508 30.300 0.042 0.000 1.109 728 R HN 0.343 nan 8.270 nan 0.000 0.535 729 I N 1.505 122.096 120.570 0.034 0.000 2.312 729 I HA 0.272 4.445 4.170 0.004 0.000 0.291 729 I C 0.436 176.570 176.117 0.029 0.000 1.031 729 I CA -0.353 60.966 61.300 0.032 0.000 1.293 729 I CB 0.520 38.536 38.000 0.026 0.000 1.403 729 I HN 0.609 nan 8.210 nan 0.000 0.484 730 R N 4.498 125.016 120.500 0.030 0.000 2.393 730 R HA 0.454 4.796 4.340 0.004 0.000 0.310 730 R C 0.879 177.193 176.300 0.022 0.000 0.968 730 R CA -0.513 55.598 56.100 0.018 0.000 0.867 730 R CB 1.777 32.084 30.300 0.011 0.000 1.124 730 R HN 0.463 nan 8.270 nan 0.000 0.450 731 V N 1.722 121.645 119.914 0.015 0.000 2.259 731 V HA -0.247 3.876 4.120 0.004 0.000 0.245 731 V C 0.809 176.952 176.094 0.082 0.000 1.024 731 V CA 1.788 64.108 62.300 0.033 0.000 1.022 731 V CB -0.681 31.150 31.823 0.014 0.000 0.663 731 V HN 0.842 nan 8.190 nan 0.000 0.480 732 S N -4.685 111.071 115.700 0.094 0.000 2.692 732 S HA 0.286 4.758 4.470 0.004 0.000 0.266 732 S C 0.048 174.731 174.600 0.138 0.000 1.012 732 S CA -0.090 58.208 58.200 0.163 0.000 0.903 732 S CB 0.216 63.607 63.200 0.318 0.000 1.164 732 S HN 0.582 nan 8.310 nan 0.000 0.472 733 H N 1.413 120.524 119.070 0.068 0.000 2.312 733 H HA 0.183 4.741 4.556 0.005 0.000 0.299 733 H C 0.816 176.220 175.328 0.128 0.000 1.051 733 H CA 2.267 58.364 56.048 0.082 0.000 1.227 733 H CB -0.330 29.436 29.762 0.005 0.000 1.389 733 H HN 0.704 nan 8.280 nan 0.000 0.524 734 H N -0.540 118.629 119.070 0.165 0.000 2.822 734 H HA -0.069 4.490 4.556 0.004 0.000 0.295 734 H C -0.579 174.740 175.328 -0.015 0.000 1.151 734 H CA 0.843 56.921 56.048 0.050 0.000 1.151 734 H CB -1.522 28.261 29.762 0.036 0.000 1.343 734 H HN 0.543 nan 8.280 nan 0.000 0.382 735 A N -0.299 122.526 122.820 0.007 0.000 2.555 735 A HA 0.541 4.863 4.320 0.004 0.000 0.297 735 A C 0.181 177.510 177.584 -0.426 0.000 1.060 735 A CA -0.044 51.868 52.037 -0.208 0.000 0.710 735 A CB 1.305 20.143 19.000 -0.270 0.000 1.282 735 A HN 0.137 nan 8.150 nan 0.000 0.399 736 T N 1.599 115.924 114.554 -0.381 0.000 3.658 736 T HA 0.486 4.838 4.350 0.004 0.000 0.245 736 T C -0.078 174.444 174.700 -0.297 0.000 1.292 736 T CA 0.325 62.223 62.100 -0.336 0.000 1.598 736 T CB -0.331 68.450 68.868 -0.146 0.000 0.861 736 T HN 1.199 nan 8.240 nan 0.000 0.663 737 T N -1.435 112.843 114.554 -0.460 0.000 4.381 737 T HA 0.280 4.633 4.350 0.004 0.000 0.309 737 T C -0.033 174.535 174.700 -0.220 0.000 0.912 737 T CA -0.579 61.370 62.100 -0.252 0.000 0.976 737 T CB -1.041 67.713 68.868 -0.189 0.000 1.051 737 T HN 0.357 nan 8.240 nan 0.000 0.447 738 F N 3.063 123.000 119.950 -0.021 0.000 2.578 738 F HA 0.269 4.799 4.527 0.005 0.000 0.381 738 F C 2.292 178.047 175.800 -0.075 0.000 1.069 738 F CA 0.168 58.145 58.000 -0.038 0.000 1.231 738 F CB 1.020 40.020 39.000 -0.001 0.000 1.086 738 F HN 0.316 nan 8.300 nan 0.000 0.564 739 T N -0.579 113.978 114.554 0.005 0.000 2.976 739 T HA 0.085 4.438 4.350 0.004 0.000 0.257 739 T C -0.173 174.408 174.700 -0.198 0.000 1.051 739 T CA 0.921 62.890 62.100 -0.218 0.000 1.141 739 T CB -0.245 68.285 68.868 -0.564 0.000 0.881 739 T HN 0.711 nan 8.240 nan 0.000 0.461 740 H N -1.841 117.312 119.070 0.138 0.000 3.005 740 H HA 0.631 5.190 4.556 0.005 0.000 0.311 740 H C -1.407 173.962 175.328 0.068 0.000 1.366 740 H CA -1.622 54.485 56.048 0.099 0.000 1.210 740 H CB 0.485 30.294 29.762 0.078 0.000 1.894 740 H HN 0.269 nan 8.280 nan 0.000 0.520 741 C N 1.102 120.540 119.300 0.229 0.000 2.358 741 C HA 0.628 5.091 4.460 0.004 0.000 0.354 741 C C 0.276 175.361 174.990 0.158 0.000 1.183 741 C CA -0.150 58.935 59.018 0.113 0.000 2.150 741 C CB 0.600 28.381 27.740 0.068 0.000 2.361 741 C HN 0.950 nan 8.230 nan 0.000 0.535 742 E N 2.344 122.590 120.200 0.078 0.000 2.313 742 E HA 0.243 4.595 4.350 0.004 0.000 0.276 742 E C 1.005 177.591 176.600 -0.022 0.000 1.031 742 E CA -0.268 56.146 56.400 0.022 0.000 0.857 742 E CB 0.508 30.228 29.700 0.034 0.000 1.040 742 E HN 0.502 nan 8.360 nan 0.000 0.408 743 I N 2.468 122.881 120.570 -0.263 0.000 2.099 743 I HA -0.175 3.998 4.170 0.004 0.000 0.239 743 I C 0.672 176.685 176.117 -0.172 0.000 1.066 743 I CA 1.685 62.683 61.300 -0.503 0.000 1.324 743 I CB -0.957 36.681 38.000 -0.604 0.000 1.037 743 I HN 0.655 nan 8.210 nan 0.000 0.401 744 H N -0.177 118.710 119.070 -0.306 0.000 3.155 744 H HA 0.196 4.754 4.556 0.005 0.000 0.328 744 H C -2.147 173.072 175.328 -0.182 0.000 1.059 744 H CA -0.876 55.006 56.048 -0.276 0.000 1.378 744 H CB 1.956 31.374 29.762 -0.573 0.000 1.998 744 H HN -0.260 nan 8.280 nan 0.000 0.480 745 P HA -0.172 nan 4.420 nan 0.000 0.220 745 P C 1.196 178.503 177.300 0.010 0.000 1.148 745 P CA 1.612 64.560 63.100 -0.254 0.000 0.803 745 P CB 0.170 31.566 31.700 -0.508 0.000 0.782 746 S N -1.097 114.837 115.700 0.390 0.000 2.500 746 S HA -0.082 4.391 4.470 0.004 0.000 0.239 746 S C 1.712 176.471 174.600 0.265 0.000 0.989 746 S CA 0.804 59.349 58.200 0.575 0.000 0.951 746 S CB -1.067 62.586 63.200 0.755 0.000 0.759 746 S HN -0.028 nan 8.310 nan 0.000 0.523 747 M N 1.885 121.547 119.600 0.102 0.000 2.659 747 M HA 0.250 4.732 4.480 0.004 0.000 0.243 747 M C 1.695 177.896 176.300 -0.164 0.000 1.111 747 M CA 0.322 55.603 55.300 -0.032 0.000 1.070 747 M CB -1.205 31.321 32.600 -0.124 0.000 1.525 747 M HN 0.586 nan 8.290 nan 0.000 0.517 748 I N -2.129 118.288 120.570 -0.254 0.000 3.001 748 I HA -0.048 4.125 4.170 0.004 0.000 0.268 748 I C 0.697 176.673 176.117 -0.235 0.000 1.267 748 I CA 0.356 61.394 61.300 -0.436 0.000 1.472 748 I CB -0.425 37.121 38.000 -0.756 0.000 1.089 748 I HN 0.037 nan 8.210 nan 0.000 0.468 749 L N 1.265 122.425 121.223 -0.104 0.000 2.416 749 L HA 0.591 4.933 4.340 0.004 0.000 0.262 749 L C 1.034 177.877 176.870 -0.046 0.000 1.093 749 L CA -0.480 54.326 54.840 -0.056 0.000 0.801 749 L CB 0.962 43.015 42.059 -0.010 0.000 1.191 749 L HN 0.084 nan 8.230 nan 0.000 0.459 750 G N -0.352 108.423 108.800 -0.041 0.000 2.525 750 G HA2 0.313 4.276 3.960 0.004 0.000 0.287 750 G HA3 0.313 4.276 3.960 0.004 0.000 0.287 750 G C 0.783 175.675 174.900 -0.014 0.000 1.350 750 G CA -0.397 44.685 45.100 -0.031 0.000 1.039 750 G HN 0.423 nan 8.290 nan 0.000 0.513 751 V N 0.320 120.227 119.914 -0.012 0.000 2.287 751 V HA -0.142 3.981 4.120 0.004 0.000 0.248 751 V C 3.034 179.111 176.094 -0.030 0.000 1.053 751 V CA 3.202 65.494 62.300 -0.013 0.000 1.027 751 V CB -0.685 31.127 31.823 -0.018 0.000 0.646 751 V HN 0.801 nan 8.190 nan 0.000 0.447 752 A N -0.714 122.088 122.820 -0.029 0.000 1.898 752 A HA 0.154 4.476 4.320 0.004 0.000 0.214 752 A C 2.289 179.837 177.584 -0.060 0.000 1.183 752 A CA 1.571 53.587 52.037 -0.034 0.000 0.622 752 A CB -0.778 18.213 19.000 -0.015 0.000 0.824 752 A HN 0.765 nan 8.150 nan 0.000 0.444 753 A N -0.674 122.116 122.820 -0.050 0.000 2.119 753 A HA 0.093 4.415 4.320 0.004 0.000 0.217 753 A C 2.004 179.540 177.584 -0.080 0.000 1.153 753 A CA 1.341 53.345 52.037 -0.056 0.000 0.692 753 A CB -0.528 18.451 19.000 -0.036 0.000 0.799 753 A HN 0.354 nan 8.150 nan 0.000 0.458 754 S N 0.117 115.769 115.700 -0.080 0.000 2.660 754 S HA 0.060 4.533 4.470 0.004 0.000 0.228 754 S C 1.248 175.733 174.600 -0.191 0.000 0.966 754 S CA 0.405 58.549 58.200 -0.093 0.000 0.940 754 S CB -0.257 62.918 63.200 -0.041 0.000 0.773 754 S HN 0.530 nan 8.310 nan 0.000 0.535 755 I N 0.421 120.843 120.570 -0.247 0.000 3.526 755 I HA 0.210 4.383 4.170 0.004 0.000 0.294 755 I C 0.690 176.602 176.117 -0.342 0.000 1.229 755 I CA 0.258 61.308 61.300 -0.416 0.000 1.408 755 I CB -0.628 37.059 38.000 -0.521 0.000 1.127 755 I HN 0.199 nan 8.210 nan 0.000 0.439 756 I N 5.424 125.854 120.570 -0.233 0.000 2.752 756 I HA -0.032 4.141 4.170 0.004 0.000 0.286 756 I C -1.906 174.116 176.117 -0.159 0.000 1.180 756 I CA -0.847 60.336 61.300 -0.195 0.000 1.404 756 I CB -0.050 37.896 38.000 -0.090 0.000 1.389 756 I HN -0.069 nan 8.210 nan 0.000 0.549 757 P HA 0.155 nan 4.420 nan 0.000 0.284 757 P C -0.239 177.123 177.300 0.104 0.000 1.253 757 P CA -0.343 62.680 63.100 -0.128 0.000 0.800 757 P CB 0.524 32.185 31.700 -0.066 0.000 0.961 758 F N 0.566 120.522 119.950 0.010 0.000 3.004 758 F HA -0.176 4.354 4.527 0.004 0.000 0.264 758 F C -0.907 174.953 175.800 0.101 0.000 0.979 758 F CA -0.025 58.006 58.000 0.051 0.000 0.896 758 F CB -1.883 37.092 39.000 -0.042 0.000 0.813 758 F HN 0.366 nan 8.300 nan 0.000 0.804 759 P HA -0.200 nan 4.420 nan 0.000 0.220 759 P C 1.437 178.800 177.300 0.105 0.000 1.148 759 P CA 2.051 65.218 63.100 0.112 0.000 0.803 759 P CB -0.005 31.700 31.700 0.008 0.000 0.782 760 D N -0.656 119.770 120.400 0.044 0.000 2.309 760 D HA -0.205 4.437 4.640 0.004 0.000 0.212 760 D C 1.016 177.325 176.300 0.015 0.000 0.968 760 D CA 0.936 54.941 54.000 0.008 0.000 0.882 760 D CB -1.057 39.665 40.800 -0.131 0.000 0.918 760 D HN 0.350 nan 8.370 nan 0.000 0.503 761 H N 0.001 119.118 119.070 0.079 0.000 2.537 761 H HA 0.301 4.859 4.556 0.005 0.000 0.295 761 H C -0.215 175.130 175.328 0.027 0.000 1.054 761 H CA -0.240 55.833 56.048 0.042 0.000 1.156 761 H CB -0.044 29.718 29.762 0.000 0.000 1.468 761 H HN 0.226 nan 8.280 nan 0.000 0.551 762 N N 1.114 119.900 118.700 0.143 0.000 2.238 762 N HA 0.050 4.793 4.740 0.004 0.000 0.302 762 N C -0.633 174.930 175.510 0.087 0.000 1.072 762 N CA -0.511 52.607 53.050 0.114 0.000 0.792 762 N CB 2.376 40.956 38.487 0.156 0.000 1.425 762 N HN 0.164 nan 8.380 nan 0.000 0.478 763 Q N 1.418 121.263 119.800 0.076 0.000 2.300 763 Q HA 0.021 4.364 4.340 0.004 0.000 0.280 763 Q C 0.506 176.553 176.000 0.078 0.000 1.033 763 Q CA 0.335 56.179 55.803 0.068 0.000 0.903 763 Q CB 0.905 29.682 28.738 0.065 0.000 1.195 763 Q HN 0.669 nan 8.270 nan 0.000 0.386 764 S N 4.625 120.360 115.700 0.059 0.000 2.374 764 S HA -0.109 4.364 4.470 0.004 0.000 0.227 764 S C -1.126 173.490 174.600 0.027 0.000 1.037 764 S CA 1.549 59.776 58.200 0.044 0.000 1.024 764 S CB -0.517 62.700 63.200 0.029 0.000 0.861 764 S HN 0.659 nan 8.310 nan 0.000 0.456 765 P HA -0.022 nan 4.420 nan 0.000 0.220 765 P C 1.277 178.605 177.300 0.046 0.000 1.148 765 P CA 0.781 63.858 63.100 -0.038 0.000 0.803 765 P CB 0.018 31.754 31.700 0.059 0.000 0.782 766 R N -0.348 120.283 120.500 0.218 0.000 2.096 766 R HA -0.036 4.306 4.340 0.004 0.000 0.235 766 R C 1.745 178.168 176.300 0.204 0.000 1.127 766 R CA 1.026 57.313 56.100 0.311 0.000 0.968 766 R CB -1.634 28.795 30.300 0.216 0.000 0.861 766 R HN 0.235 nan 8.270 nan 0.000 0.440 767 N N -0.274 118.495 118.700 0.115 0.000 2.309 767 N HA -0.076 4.666 4.740 0.004 0.000 0.182 767 N C 1.441 176.966 175.510 0.025 0.000 1.018 767 N CA 1.313 54.406 53.050 0.071 0.000 0.876 767 N CB -0.241 38.278 38.487 0.053 0.000 0.972 767 N HN 0.151 nan 8.380 nan 0.000 0.434 768 T N -0.393 114.142 114.554 -0.033 0.000 2.812 768 T HA -0.027 4.326 4.350 0.004 0.000 0.264 768 T C 1.486 176.130 174.700 -0.094 0.000 1.042 768 T CA 0.803 62.833 62.100 -0.116 0.000 1.140 768 T CB -0.286 68.440 68.868 -0.237 0.000 0.870 768 T HN 0.301 nan 8.240 nan 0.000 0.445 769 Y N 1.202 121.512 120.300 0.016 0.000 2.293 769 Y HA -0.115 4.438 4.550 0.005 0.000 0.291 769 Y C 2.788 178.696 175.900 0.013 0.000 1.137 769 Y CA 0.776 58.885 58.100 0.016 0.000 1.202 769 Y CB -0.139 38.334 38.460 0.021 0.000 0.990 769 Y HN 0.145 nan 8.280 nan 0.000 0.537 770 Q N 0.181 120.076 119.800 0.158 0.000 2.224 770 Q HA -0.114 4.229 4.340 0.004 0.000 0.203 770 Q C 1.883 177.909 176.000 0.043 0.000 0.970 770 Q CA 1.816 57.664 55.803 0.075 0.000 0.865 770 Q CB -0.239 28.512 28.738 0.022 0.000 0.922 770 Q HN 0.228 nan 8.270 nan 0.000 0.445 771 S N -0.400 115.319 115.700 0.032 0.000 2.461 771 S HA 0.113 4.585 4.470 0.004 0.000 0.228 771 S C 1.743 176.358 174.600 0.026 0.000 1.005 771 S CA 0.557 58.764 58.200 0.012 0.000 0.942 771 S CB -0.107 63.088 63.200 -0.009 0.000 0.776 771 S HN 0.567 nan 8.310 nan 0.000 0.514 772 A N 0.976 123.822 122.820 0.043 0.000 2.066 772 A HA 0.143 4.466 4.320 0.004 0.000 0.218 772 A C 1.994 179.617 177.584 0.066 0.000 1.157 772 A CA 0.878 52.947 52.037 0.053 0.000 0.670 772 A CB -0.366 18.677 19.000 0.071 0.000 0.804 772 A HN 0.446 nan 8.150 nan 0.000 0.453 773 M N -1.323 118.321 119.600 0.073 0.000 2.412 773 M HA 0.081 4.564 4.480 0.004 0.000 0.263 773 M C 2.341 178.686 176.300 0.074 0.000 1.122 773 M CA 0.975 56.321 55.300 0.076 0.000 1.179 773 M CB -0.406 32.238 32.600 0.073 0.000 1.335 773 M HN 0.447 nan 8.290 nan 0.000 0.465 774 G N 1.192 110.031 108.800 0.065 0.000 2.545 774 G HA2 -0.275 3.688 3.960 0.004 0.000 0.222 774 G HA3 -0.275 3.688 3.960 0.004 0.000 0.222 774 G C 1.502 176.464 174.900 0.103 0.000 1.126 774 G CA 1.241 46.392 45.100 0.085 0.000 0.754 774 G HN 0.408 nan 8.290 nan 0.000 0.583 775 K N 0.126 120.574 120.400 0.081 0.000 2.442 775 K HA -0.039 4.284 4.320 0.004 0.000 0.198 775 K C 1.980 178.649 176.600 0.115 0.000 1.042 775 K CA 1.242 57.576 56.287 0.079 0.000 0.958 775 K CB 0.071 32.596 32.500 0.042 0.000 0.766 775 K HN 0.692 nan 8.250 nan 0.000 0.474 776 Q N -1.411 118.467 119.800 0.131 0.000 2.093 776 Q HA 0.357 4.700 4.340 0.004 0.000 0.217 776 Q C -0.017 176.132 176.000 0.248 0.000 0.785 776 Q CA -0.437 55.468 55.803 0.171 0.000 1.038 776 Q CB 0.895 29.627 28.738 -0.010 0.000 1.190 776 Q HN 0.035 nan 8.270 nan 0.000 0.468 777 A N 1.478 124.398 122.820 0.167 0.000 2.325 777 A HA 0.578 4.901 4.320 0.004 0.000 0.260 777 A C -0.285 177.276 177.584 -0.039 0.000 1.133 777 A CA -0.182 51.901 52.037 0.076 0.000 0.801 777 A CB 0.515 19.564 19.000 0.082 0.000 1.092 777 A HN 0.496 nan 8.150 nan 0.000 0.504 778 M N -0.216 119.303 119.600 -0.135 0.000 2.267 778 M HA 0.564 5.047 4.480 0.004 0.000 0.289 778 M C -0.228 175.966 176.300 -0.177 0.000 1.043 778 M CA 0.166 55.268 55.300 -0.330 0.000 0.928 778 M CB 1.808 34.253 32.600 -0.258 0.000 1.613 778 M HN 1.069 nan 8.290 nan 0.000 0.450 779 G N 2.055 110.735 108.800 -0.199 0.000 2.578 779 G HA2 0.446 4.409 3.960 0.004 0.000 0.302 779 G HA3 0.446 4.409 3.960 0.004 0.000 0.302 779 G C -1.720 173.124 174.900 -0.093 0.000 1.243 779 G CA -0.601 44.431 45.100 -0.113 0.000 0.843 779 G HN 0.462 nan 8.290 nan 0.000 0.486 780 V N 1.921 121.770 119.914 -0.108 0.000 2.446 780 V HA 0.238 4.361 4.120 0.004 0.000 0.276 780 V C 1.033 177.071 176.094 -0.094 0.000 1.030 780 V CA 0.682 62.903 62.300 -0.133 0.000 1.033 780 V CB -0.099 31.615 31.823 -0.182 0.000 0.993 780 V HN 0.634 nan 8.190 nan 0.000 0.477 781 F N 4.947 124.838 119.950 -0.099 0.000 2.717 781 F HA 0.616 5.145 4.527 0.004 0.000 0.295 781 F C 0.171 175.987 175.800 0.026 0.000 1.117 781 F CA -0.107 57.878 58.000 -0.025 0.000 1.361 781 F CB 0.288 39.266 39.000 -0.038 0.000 1.112 781 F HN 0.261 nan 8.300 nan 0.000 0.594 782 L N 0.258 121.064 121.223 -0.695 0.000 2.731 782 L HA 0.150 4.493 4.340 0.004 0.000 0.256 782 L C 0.464 177.080 176.870 -0.423 0.000 0.947 782 L CA -0.315 54.224 54.840 -0.503 0.000 0.914 782 L CB 2.213 44.002 42.059 -0.450 0.000 1.470 782 L HN -0.061 nan 8.230 nan 0.000 0.421 783 T N -1.791 112.611 114.554 -0.254 0.000 2.985 783 T HA -0.059 4.293 4.350 0.004 0.000 0.266 783 T C 1.072 175.611 174.700 -0.268 0.000 1.076 783 T CA 1.119 63.101 62.100 -0.196 0.000 1.135 783 T CB -0.368 68.466 68.868 -0.056 0.000 0.890 783 T HN 0.649 nan 8.240 nan 0.000 0.480 784 N N 1.837 120.403 118.700 -0.224 0.000 2.441 784 N HA -0.017 4.726 4.740 0.004 0.000 0.225 784 N C 0.968 176.313 175.510 -0.276 0.000 1.208 784 N CA -0.420 52.496 53.050 -0.224 0.000 0.847 784 N CB -0.903 37.514 38.487 -0.116 0.000 1.121 784 N HN 0.632 nan 8.380 nan 0.000 0.479 785 Y N -0.957 119.142 120.300 -0.336 0.000 2.373 785 Y HA 0.129 4.682 4.550 0.004 0.000 0.293 785 Y C 1.774 177.497 175.900 -0.296 0.000 1.129 785 Y CA 0.508 58.393 58.100 -0.359 0.000 1.226 785 Y CB -0.993 37.159 38.460 -0.513 0.000 1.000 785 Y HN 0.149 nan 8.280 nan 0.000 0.549 786 N N 0.521 118.805 118.700 -0.693 0.000 2.166 786 N HA -0.145 4.598 4.740 0.004 0.000 0.186 786 N C 1.387 176.767 175.510 -0.217 0.000 1.019 786 N CA 1.721 54.510 53.050 -0.436 0.000 0.856 786 N CB -0.067 38.141 38.487 -0.464 0.000 0.993 786 N HN 0.250 nan 8.380 nan 0.000 0.426 787 V N 0.505 120.310 119.914 -0.182 0.000 2.788 787 V HA 0.030 4.153 4.120 0.004 0.000 0.251 787 V C 0.848 176.911 176.094 -0.052 0.000 1.068 787 V CA 0.892 63.133 62.300 -0.098 0.000 1.090 787 V CB -0.379 31.394 31.823 -0.083 0.000 0.710 787 V HN 0.229 nan 8.190 nan 0.000 0.467 788 R N 0.521 120.997 120.500 -0.039 0.000 2.490 788 R HA 0.488 4.831 4.340 0.004 0.000 0.278 788 R C -0.269 176.038 176.300 0.011 0.000 1.069 788 R CA -0.004 56.107 56.100 0.018 0.000 1.080 788 R CB 0.598 30.947 30.300 0.081 0.000 1.030 788 R HN 0.146 nan 8.270 nan 0.000 0.491 789 M N 3.592 123.209 119.600 0.029 0.000 1.998 789 M HA 0.225 4.708 4.480 0.004 0.000 0.289 789 M C -1.574 174.745 176.300 0.032 0.000 0.886 789 M CA -0.757 54.556 55.300 0.022 0.000 0.853 789 M CB 1.069 33.679 32.600 0.018 0.000 1.462 789 M HN 0.626 nan 8.290 nan 0.000 0.375 790 D N 0.304 120.717 120.400 0.022 0.000 2.523 790 D HA 0.559 5.202 4.640 0.004 0.000 0.236 790 D C -0.403 175.882 176.300 -0.026 0.000 1.094 790 D CA -0.510 53.493 54.000 0.004 0.000 0.942 790 D CB 0.738 41.536 40.800 -0.003 0.000 1.447 790 D HN 0.191 nan 8.370 nan 0.000 0.479 791 T N 0.121 114.646 114.554 -0.048 0.000 2.884 791 T HA 0.426 4.778 4.350 0.004 0.000 0.298 791 T C 0.255 174.919 174.700 -0.060 0.000 0.998 791 T CA -0.478 61.574 62.100 -0.081 0.000 1.124 791 T CB 0.085 68.895 68.868 -0.096 0.000 0.931 791 T HN 0.517 nan 8.240 nan 0.000 0.531 792 M N 1.366 120.942 119.600 -0.040 0.000 4.043 792 M HA -0.020 4.463 4.480 0.004 0.000 0.157 792 M C -0.507 175.820 176.300 0.046 0.000 1.532 792 M CA 0.595 55.939 55.300 0.075 0.000 1.096 792 M CB -1.038 31.605 32.600 0.072 0.000 1.346 792 M HN 1.056 nan 8.290 nan 0.000 0.195 793 A N 4.796 127.706 122.820 0.150 0.000 2.437 793 A HA 0.834 5.156 4.320 0.004 0.000 0.293 793 A C -0.735 177.042 177.584 0.322 0.000 1.038 793 A CA -0.829 51.278 52.037 0.116 0.000 0.708 793 A CB 1.479 20.558 19.000 0.133 0.000 1.251 793 A HN 0.705 nan 8.150 nan 0.000 0.409 794 N N 1.708 120.520 118.700 0.185 0.000 2.399 794 N HA 0.601 5.344 4.740 0.004 0.000 0.280 794 N C -1.636 173.883 175.510 0.014 0.000 1.008 794 N CA -0.254 52.888 53.050 0.154 0.000 0.894 794 N CB 2.013 40.538 38.487 0.063 0.000 1.273 794 N HN 0.500 nan 8.380 nan 0.000 0.486 795 I N 1.960 122.544 120.570 0.023 0.000 2.545 795 I HA 0.270 4.442 4.170 0.004 0.000 0.292 795 I C -0.360 175.748 176.117 -0.015 0.000 1.040 795 I CA -0.623 60.628 61.300 -0.082 0.000 1.068 795 I CB 2.086 39.909 38.000 -0.294 0.000 1.251 795 I HN 0.312 nan 8.210 nan 0.000 0.424 796 L N 6.149 127.355 121.223 -0.029 0.000 2.410 796 L HA 0.140 4.483 4.340 0.004 0.000 0.273 796 L C 0.577 177.471 176.870 0.039 0.000 1.144 796 L CA 0.526 55.381 54.840 0.025 0.000 0.863 796 L CB 0.153 42.215 42.059 0.005 0.000 1.140 796 L HN 0.477 nan 8.230 nan 0.000 0.463 797 Y N 4.335 124.511 120.300 -0.207 0.000 2.151 797 Y HA -0.204 4.348 4.550 0.004 0.000 0.284 797 Y C 0.416 175.952 175.900 -0.607 0.000 1.166 797 Y CA 1.482 59.299 58.100 -0.471 0.000 1.163 797 Y CB -0.378 37.704 38.460 -0.629 0.000 0.974 797 Y HN 0.527 nan 8.280 nan 0.000 0.511 798 Y N -1.087 119.276 120.300 0.105 0.000 2.490 798 Y HA 0.353 4.905 4.550 0.004 0.000 0.346 798 Y C -2.350 173.527 175.900 -0.039 0.000 1.023 798 Y CA -2.951 55.157 58.100 0.013 0.000 1.142 798 Y CB 0.384 38.843 38.460 -0.001 0.000 1.126 798 Y HN -0.134 nan 8.280 nan 0.000 0.647 799 P HA -0.078 nan 4.420 nan 0.000 0.266 799 P C -0.467 176.861 177.300 0.047 0.000 1.180 799 P CA 0.722 63.837 63.100 0.024 0.000 0.765 799 P CB 0.627 32.308 31.700 -0.032 0.000 0.806 800 Q N 0.857 120.709 119.800 0.086 0.000 2.345 800 Q HA 0.247 4.589 4.340 0.004 0.000 0.275 800 Q C -0.591 175.518 176.000 0.181 0.000 1.063 800 Q CA -1.056 54.819 55.803 0.119 0.000 0.819 800 Q CB 2.088 30.902 28.738 0.127 0.000 1.356 800 Q HN 0.314 nan 8.270 nan 0.000 0.418 801 K N 2.301 122.738 120.400 0.062 0.000 2.312 801 K HA 0.374 4.696 4.320 0.004 0.000 0.287 801 K C -2.378 174.210 176.600 -0.020 0.000 1.062 801 K CA -1.477 54.811 56.287 0.001 0.000 0.934 801 K CB 0.436 32.915 32.500 -0.035 0.000 1.027 801 K HN 0.178 nan 8.250 nan 0.000 0.478 802 P HA -0.099 nan 4.420 nan 0.000 0.266 802 P C 0.336 177.540 177.300 -0.160 0.000 1.193 802 P CA 0.013 62.860 63.100 -0.422 0.000 0.770 802 P CB 0.704 31.827 31.700 -0.961 0.000 0.836 803 L N 1.013 122.200 121.223 -0.060 0.000 2.376 803 L HA 0.059 4.401 4.340 0.004 0.000 0.219 803 L C 1.527 178.352 176.870 -0.076 0.000 1.133 803 L CA 1.105 55.917 54.840 -0.047 0.000 0.816 803 L CB -0.487 41.564 42.059 -0.013 0.000 0.933 803 L HN 0.501 nan 8.230 nan 0.000 0.449 804 G N -0.159 108.579 108.800 -0.105 0.000 2.522 804 G HA2 0.459 4.422 3.960 0.004 0.000 0.318 804 G HA3 0.459 4.422 3.960 0.004 0.000 0.318 804 G C -0.320 174.458 174.900 -0.204 0.000 1.192 804 G CA -0.201 44.826 45.100 -0.121 0.000 0.988 804 G HN 0.028 nan 8.290 nan 0.000 0.480 805 T N -0.507 113.919 114.554 -0.212 0.000 2.925 805 T HA 0.673 5.026 4.350 0.004 0.000 0.285 805 T C 0.428 174.954 174.700 -0.290 0.000 1.021 805 T CA -0.605 61.346 62.100 -0.249 0.000 1.042 805 T CB 1.766 70.508 68.868 -0.210 0.000 1.037 805 T HN 0.255 nan 8.240 nan 0.000 0.481 806 T N 1.867 116.241 114.554 -0.301 0.000 2.904 806 T HA 0.307 4.660 4.350 0.004 0.000 0.290 806 T C 1.288 175.792 174.700 -0.326 0.000 1.018 806 T CA -0.910 61.013 62.100 -0.295 0.000 1.075 806 T CB 1.002 69.723 68.868 -0.245 0.000 0.986 806 T HN 0.521 nan 8.240 nan 0.000 0.523 807 R N 0.829 121.084 120.500 -0.408 0.000 2.339 807 R HA 0.070 4.413 4.340 0.004 0.000 0.199 807 R C 1.588 177.525 176.300 -0.605 0.000 1.018 807 R CA 0.370 56.061 56.100 -0.681 0.000 1.036 807 R CB -0.522 29.069 30.300 -1.182 0.000 0.899 807 R HN 0.741 nan 8.270 nan 0.000 0.473 808 A N -0.685 121.978 122.820 -0.262 0.000 2.252 808 A HA 0.121 4.443 4.320 0.004 0.000 0.213 808 A C 1.901 179.448 177.584 -0.063 0.000 1.188 808 A CA -0.227 51.820 52.037 0.017 0.000 0.863 808 A CB 0.031 19.138 19.000 0.179 0.000 0.893 808 A HN 0.143 nan 8.150 nan 0.000 0.495 809 M N -0.365 119.138 119.600 -0.162 0.000 2.108 809 M HA -0.223 4.260 4.480 0.004 0.000 0.261 809 M C 2.053 178.274 176.300 -0.132 0.000 1.066 809 M CA 2.111 57.341 55.300 -0.117 0.000 1.107 809 M CB -0.349 32.171 32.600 -0.134 0.000 1.356 809 M HN 0.604 nan 8.290 nan 0.000 0.406 810 E N 0.710 120.727 120.200 -0.306 0.000 2.113 810 E HA -0.248 4.104 4.350 0.004 0.000 0.210 810 E C 1.421 177.748 176.600 -0.455 0.000 1.040 810 E CA 2.307 58.427 56.400 -0.466 0.000 0.847 810 E CB -0.506 28.733 29.700 -0.769 0.000 0.755 810 E HN 0.666 nan 8.360 nan 0.000 0.459 811 Y N -0.474 119.744 120.300 -0.136 0.000 2.516 811 Y HA 0.145 4.698 4.550 0.005 0.000 0.291 811 Y C 1.670 177.446 175.900 -0.207 0.000 1.131 811 Y CA 0.283 58.221 58.100 -0.271 0.000 1.281 811 Y CB 0.131 38.197 38.460 -0.657 0.000 1.013 811 Y HN 0.035 nan 8.280 nan 0.000 0.554 812 L N 0.258 121.485 121.223 0.007 0.000 2.611 812 L HA 0.067 4.409 4.340 0.004 0.000 0.229 812 L C 0.347 177.380 176.870 0.271 0.000 1.137 812 L CA 0.105 55.010 54.840 0.108 0.000 0.901 812 L CB -0.108 42.005 42.059 0.090 0.000 1.098 812 L HN 0.079 nan 8.230 nan 0.000 0.456 813 K N -0.309 120.203 120.400 0.187 0.000 3.071 813 K HA -0.265 4.057 4.320 0.004 0.000 0.262 813 K C 0.674 177.341 176.600 0.111 0.000 0.977 813 K CA 0.646 57.036 56.287 0.171 0.000 0.721 813 K CB -2.082 30.581 32.500 0.271 0.000 1.293 813 K HN 0.253 nan 8.250 nan 0.000 0.475 814 F N 0.937 120.883 119.950 -0.005 0.000 2.335 814 F HA 0.004 4.533 4.527 0.005 0.000 0.296 814 F C 2.117 177.866 175.800 -0.085 0.000 1.091 814 F CA 0.651 58.633 58.000 -0.029 0.000 1.399 814 F CB 0.220 39.185 39.000 -0.058 0.000 1.067 814 F HN 0.051 nan 8.300 nan 0.000 0.520 815 R N 0.401 120.912 120.500 0.018 0.000 2.127 815 R HA -0.167 4.176 4.340 0.004 0.000 0.238 815 R C 1.541 177.759 176.300 -0.136 0.000 1.134 815 R CA 1.615 57.682 56.100 -0.055 0.000 0.975 815 R CB -0.664 29.608 30.300 -0.047 0.000 0.865 815 R HN 0.337 nan 8.270 nan 0.000 0.447 816 E N -0.451 119.640 120.200 -0.182 0.000 2.307 816 E HA 0.115 4.468 4.350 0.004 0.000 0.195 816 E C -0.122 176.213 176.600 -0.443 0.000 0.975 816 E CA 0.350 56.598 56.400 -0.253 0.000 0.878 816 E CB 0.423 30.014 29.700 -0.181 0.000 0.845 816 E HN 0.011 nan 8.360 nan 0.000 0.488 817 L N 1.843 122.755 121.223 -0.518 0.000 2.529 817 L HA 0.327 4.670 4.340 0.004 0.000 0.246 817 L C -2.462 174.078 176.870 -0.550 0.000 1.394 817 L CA -1.539 52.978 54.840 -0.538 0.000 0.906 817 L CB 1.132 42.761 42.059 -0.717 0.000 1.170 817 L HN -0.094 nan 8.230 nan 0.000 0.501 818 P HA 0.399 nan 4.420 nan 0.000 0.274 818 P C -0.810 176.295 177.300 -0.325 0.000 1.256 818 P CA -0.464 62.222 63.100 -0.690 0.000 0.795 818 P CB 1.667 33.189 31.700 -0.297 0.000 1.038 819 A N 0.455 123.193 122.820 -0.137 0.000 2.457 819 A HA 0.711 5.033 4.320 0.004 0.000 0.283 819 A C -0.149 177.523 177.584 0.145 0.000 1.166 819 A CA -0.063 51.987 52.037 0.021 0.000 0.740 819 A CB 0.348 19.369 19.000 0.034 0.000 1.181 819 A HN 0.878 nan 8.150 nan 0.000 0.446 820 G N 1.320 110.148 108.800 0.046 0.000 2.535 820 G HA2 0.281 4.243 3.960 0.004 0.000 0.662 820 G HA3 0.281 4.243 3.960 0.004 0.000 0.662 820 G C -1.044 173.684 174.900 -0.286 0.000 1.417 820 G CA -0.864 44.142 45.100 -0.156 0.000 0.866 820 G HN 0.845 nan 8.290 nan 0.000 0.647 821 Q N -0.268 119.415 119.800 -0.196 0.000 2.207 821 Q HA 0.540 4.883 4.340 0.004 0.000 0.237 821 Q C 0.039 175.951 176.000 -0.147 0.000 0.998 821 Q CA -1.064 54.583 55.803 -0.260 0.000 0.951 821 Q CB 1.212 29.553 28.738 -0.662 0.000 1.213 821 Q HN 0.392 nan 8.270 nan 0.000 0.499 822 N N 0.456 119.145 118.700 -0.019 0.000 3.040 822 N HA 0.289 5.032 4.740 0.004 0.000 0.305 822 N C -1.451 174.081 175.510 0.037 0.000 1.611 822 N CA -0.035 53.084 53.050 0.114 0.000 1.049 822 N CB 0.562 39.143 38.487 0.156 0.000 1.342 822 N HN 0.583 nan 8.380 nan 0.000 0.497 823 A N 1.449 124.304 122.820 0.058 0.000 2.445 823 A HA 0.229 4.552 4.320 0.004 0.000 0.242 823 A C 0.567 178.129 177.584 -0.038 0.000 1.075 823 A CA -0.098 51.947 52.037 0.013 0.000 0.777 823 A CB 0.409 19.474 19.000 0.109 0.000 1.013 823 A HN 0.378 nan 8.150 nan 0.000 0.493 824 I N 2.344 122.845 120.570 -0.115 0.000 2.416 824 I HA 0.187 4.359 4.170 0.004 0.000 0.288 824 I C -0.043 175.909 176.117 -0.276 0.000 1.051 824 I CA 0.311 61.462 61.300 -0.247 0.000 1.375 824 I CB 0.809 38.633 38.000 -0.295 0.000 1.407 824 I HN 0.251 nan 8.210 nan 0.000 0.516 825 V N 6.270 125.987 119.914 -0.328 0.000 2.495 825 V HA 0.692 4.815 4.120 0.004 0.000 0.298 825 V C 0.133 176.115 176.094 -0.188 0.000 1.031 825 V CA -0.648 61.538 62.300 -0.190 0.000 0.871 825 V CB 1.848 33.669 31.823 -0.004 0.000 0.988 825 V HN 0.863 nan 8.190 nan 0.000 0.432 826 A N 6.277 129.086 122.820 -0.017 0.000 2.319 826 A HA 0.808 5.131 4.320 0.004 0.000 0.310 826 A C -0.681 176.993 177.584 0.150 0.000 1.152 826 A CA -0.489 51.636 52.037 0.147 0.000 0.783 826 A CB 0.660 19.806 19.000 0.243 0.000 1.184 826 A HN 0.778 nan 8.150 nan 0.000 0.474 827 I N 2.501 123.198 120.570 0.211 0.000 2.282 827 I HA 0.552 4.725 4.170 0.004 0.000 0.290 827 I C 0.431 176.649 176.117 0.168 0.000 1.090 827 I CA 0.113 61.524 61.300 0.185 0.000 1.231 827 I CB 0.750 38.878 38.000 0.213 0.000 1.434 827 I HN 0.643 nan 8.210 nan 0.000 0.487 828 A N 4.479 127.381 122.820 0.137 0.000 2.549 828 A HA 0.552 4.874 4.320 0.004 0.000 0.297 828 A C -0.476 177.184 177.584 0.127 0.000 1.061 828 A CA -0.577 51.540 52.037 0.134 0.000 0.690 828 A CB 1.069 20.176 19.000 0.177 0.000 1.287 828 A HN 0.682 nan 8.150 nan 0.000 0.402 829 C N 2.323 121.673 119.300 0.083 0.000 2.531 829 C HA 0.280 4.743 4.460 0.004 0.000 0.401 829 C C 0.721 175.836 174.990 0.210 0.000 1.473 829 C CA 0.479 59.560 59.018 0.105 0.000 1.472 829 C CB -2.356 25.407 27.740 0.038 0.000 2.429 829 C HN 0.800 nan 8.230 nan 0.000 0.620 830 Y N 2.377 122.728 120.300 0.085 0.000 2.986 830 Y HA 0.212 4.764 4.550 0.004 0.000 0.266 830 Y C 2.305 178.283 175.900 0.130 0.000 1.419 830 Y CA 0.768 58.935 58.100 0.112 0.000 1.147 830 Y CB -0.488 38.077 38.460 0.175 0.000 1.106 830 Y HN 0.550 nan 8.280 nan 0.000 0.678 831 S N -0.041 115.843 115.700 0.306 0.000 2.440 831 S HA -0.029 4.444 4.470 0.004 0.000 0.240 831 S C 1.595 176.315 174.600 0.199 0.000 1.014 831 S CA 1.342 59.713 58.200 0.286 0.000 0.980 831 S CB -0.981 62.661 63.200 0.737 0.000 0.775 831 S HN 1.444 nan 8.310 nan 0.000 0.499 832 G N -0.478 108.422 108.800 0.167 0.000 2.159 832 G HA2 -0.273 3.690 3.960 0.004 0.000 0.227 832 G HA3 -0.273 3.690 3.960 0.004 0.000 0.227 832 G C 0.302 175.158 174.900 -0.073 0.000 0.986 832 G CA 0.260 45.371 45.100 0.017 0.000 0.651 832 G HN 0.578 nan 8.290 nan 0.000 0.523 833 Y N 1.048 121.406 120.300 0.096 0.000 2.482 833 Y HA 0.152 4.705 4.550 0.005 0.000 0.270 833 Y C 2.094 178.004 175.900 0.016 0.000 1.152 833 Y CA 0.878 59.003 58.100 0.041 0.000 1.292 833 Y CB 0.365 38.828 38.460 0.005 0.000 1.070 833 Y HN 0.469 nan 8.280 nan 0.000 0.528 834 N N -0.169 118.628 118.700 0.161 0.000 2.276 834 N HA 0.007 4.750 4.740 0.004 0.000 0.212 834 N C -0.220 175.337 175.510 0.077 0.000 1.127 834 N CA -0.008 53.101 53.050 0.098 0.000 0.834 834 N CB -0.063 38.484 38.487 0.099 0.000 1.014 834 N HN 0.312 nan 8.380 nan 0.000 0.491 835 Q N 0.797 120.636 119.800 0.066 0.000 2.299 835 Q HA 0.141 4.484 4.340 0.004 0.000 0.246 835 Q C -0.332 175.691 176.000 0.039 0.000 0.935 835 Q CA -0.244 55.596 55.803 0.062 0.000 0.887 835 Q CB 0.641 29.402 28.738 0.038 0.000 1.223 835 Q HN 0.174 nan 8.270 nan 0.000 0.439 836 E N 2.765 122.989 120.200 0.040 0.000 2.287 836 E HA -0.282 4.071 4.350 0.004 0.000 0.229 836 E C -0.772 175.838 176.600 0.016 0.000 1.194 836 E CA 0.925 57.334 56.400 0.016 0.000 0.704 836 E CB -1.260 28.438 29.700 -0.004 0.000 1.216 836 E HN 0.884 nan 8.360 nan 0.000 0.381 837 D N -2.651 117.765 120.400 0.028 0.000 2.946 837 D HA -0.181 4.462 4.640 0.004 0.000 0.202 837 D C 0.390 176.708 176.300 0.030 0.000 1.068 837 D CA 1.702 55.719 54.000 0.027 0.000 1.011 837 D CB -1.498 39.308 40.800 0.011 0.000 1.105 837 D HN 0.596 nan 8.370 nan 0.000 0.425 838 S N 0.018 115.734 115.700 0.026 0.000 2.600 838 S HA 0.581 5.053 4.470 0.004 0.000 0.265 838 S C 0.604 175.207 174.600 0.006 0.000 1.325 838 S CA -0.495 57.715 58.200 0.017 0.000 1.002 838 S CB 1.777 64.992 63.200 0.025 0.000 0.921 838 S HN 0.387 nan 8.310 nan 0.000 0.554 839 M N -0.044 119.533 119.600 -0.039 0.000 2.631 839 M HA 0.642 5.125 4.480 0.004 0.000 0.288 839 M C -1.712 174.513 176.300 -0.124 0.000 1.260 839 M CA -0.943 54.310 55.300 -0.079 0.000 0.842 839 M CB 1.492 34.011 32.600 -0.135 0.000 1.743 839 M HN 0.537 nan 8.290 nan 0.000 0.461 840 I N 1.911 122.405 120.570 -0.126 0.000 2.377 840 I HA 0.507 4.680 4.170 0.004 0.000 0.293 840 I C -0.815 175.185 176.117 -0.195 0.000 0.987 840 I CA -0.470 60.725 61.300 -0.174 0.000 1.185 840 I CB 2.020 39.961 38.000 -0.098 0.000 1.341 840 I HN 0.725 nan 8.210 nan 0.000 0.455 841 M N 5.719 125.184 119.600 -0.226 0.000 2.321 841 M HA 0.357 4.840 4.480 0.004 0.000 0.315 841 M C -0.528 175.703 176.300 -0.115 0.000 1.052 841 M CA -0.766 54.420 55.300 -0.191 0.000 0.936 841 M CB 1.562 34.013 32.600 -0.248 0.000 1.639 841 M HN 0.460 nan 8.290 nan 0.000 0.433 842 N N 3.163 121.824 118.700 -0.065 0.000 2.406 842 N HA -0.046 4.697 4.740 0.004 0.000 0.274 842 N C 0.563 176.065 175.510 -0.013 0.000 1.249 842 N CA 0.465 53.508 53.050 -0.012 0.000 0.951 842 N CB 0.794 39.280 38.487 -0.001 0.000 1.241 842 N HN 0.701 nan 8.380 nan 0.000 0.485 843 Q N 2.612 122.411 119.800 -0.002 0.000 2.077 843 Q HA -0.167 4.175 4.340 0.004 0.000 0.206 843 Q C 1.544 177.541 176.000 -0.005 0.000 0.989 843 Q CA 2.010 57.807 55.803 -0.008 0.000 0.853 843 Q CB -0.473 28.266 28.738 0.002 0.000 0.907 843 Q HN 0.662 nan 8.270 nan 0.000 0.418 844 S N -0.353 115.347 115.700 0.000 0.000 2.372 844 S HA -0.243 4.230 4.470 0.004 0.000 0.227 844 S C 1.939 176.533 174.600 -0.010 0.000 1.044 844 S CA 1.714 59.910 58.200 -0.006 0.000 1.050 844 S CB -0.617 62.578 63.200 -0.007 0.000 0.901 844 S HN 0.748 nan 8.310 nan 0.000 0.447 845 S N 0.957 116.651 115.700 -0.010 0.000 2.402 845 S HA 0.020 4.493 4.470 0.004 0.000 0.229 845 S C 1.789 176.380 174.600 -0.015 0.000 1.021 845 S CA 0.892 59.082 58.200 -0.017 0.000 0.974 845 S CB -0.666 62.522 63.200 -0.021 0.000 0.800 845 S HN 0.492 nan 8.310 nan 0.000 0.484 846 I N 2.734 123.300 120.570 -0.006 0.000 2.208 846 I HA -0.216 3.957 4.170 0.004 0.000 0.245 846 I C 2.119 178.232 176.117 -0.007 0.000 1.097 846 I CA 1.746 63.048 61.300 0.003 0.000 1.363 846 I CB -0.456 37.547 38.000 0.003 0.000 1.051 846 I HN 0.268 nan 8.210 nan 0.000 0.413 847 D N 0.659 121.054 120.400 -0.008 0.000 2.144 847 D HA -0.152 4.491 4.640 0.004 0.000 0.199 847 D C 2.221 178.523 176.300 0.003 0.000 0.984 847 D CA 1.058 55.055 54.000 -0.006 0.000 0.834 847 D CB -0.342 40.455 40.800 -0.006 0.000 0.955 847 D HN 0.396 nan 8.370 nan 0.000 0.465 848 R N -0.198 120.301 120.500 -0.002 0.000 2.189 848 R HA 0.059 4.402 4.340 0.004 0.000 0.223 848 R C 1.377 177.693 176.300 0.026 0.000 1.092 848 R CA 1.017 57.117 56.100 -0.001 0.000 0.989 848 R CB 0.178 30.461 30.300 -0.027 0.000 0.876 848 R HN 0.266 nan 8.270 nan 0.000 0.457 849 G N 0.379 109.196 108.800 0.029 0.000 2.321 849 G HA2 -0.159 3.804 3.960 0.004 0.000 0.174 849 G HA3 -0.159 3.804 3.960 0.004 0.000 0.174 849 G C -0.257 174.676 174.900 0.055 0.000 1.008 849 G CA -0.711 44.443 45.100 0.088 0.000 0.739 849 G HN 0.120 nan 8.290 nan 0.000 0.502 850 L N 1.168 122.380 121.223 -0.019 0.000 2.525 850 L HA 0.569 4.911 4.340 0.004 0.000 0.278 850 L C 1.196 178.057 176.870 -0.015 0.000 1.218 850 L CA 0.739 55.514 54.840 -0.107 0.000 0.878 850 L CB -0.418 41.599 42.059 -0.069 0.000 1.127 850 L HN 0.474 nan 8.230 nan 0.000 0.492 851 F N 2.482 122.467 119.950 0.058 0.000 3.019 851 F HA -0.297 4.233 4.527 0.004 0.000 0.259 851 F C 0.864 176.640 175.800 -0.040 0.000 0.976 851 F CA 0.553 58.583 58.000 0.051 0.000 0.876 851 F CB -1.154 37.968 39.000 0.203 0.000 0.784 851 F HN 0.535 nan 8.300 nan 0.000 0.786 852 R N 0.731 121.201 120.500 -0.050 0.000 2.308 852 R HA 0.538 4.880 4.340 0.004 0.000 0.305 852 R C 0.260 176.440 176.300 -0.200 0.000 1.053 852 R CA 0.162 56.073 56.100 -0.315 0.000 0.957 852 R CB 1.354 31.149 30.300 -0.840 0.000 1.022 852 R HN 0.255 nan 8.270 nan 0.000 0.461 853 S N 2.828 118.450 115.700 -0.130 0.000 2.566 853 S HA 0.534 5.007 4.470 0.004 0.000 0.298 853 S C -0.251 174.449 174.600 0.167 0.000 1.083 853 S CA -1.004 57.235 58.200 0.065 0.000 0.978 853 S CB 1.446 64.655 63.200 0.016 0.000 1.073 853 S HN 0.331 nan 8.310 nan 0.000 0.491 854 L N 1.639 123.000 121.223 0.230 0.000 2.416 854 L HA 0.693 5.036 4.340 0.004 0.000 0.262 854 L C -0.784 176.131 176.870 0.075 0.000 1.093 854 L CA -0.708 54.182 54.840 0.084 0.000 0.801 854 L CB 0.841 42.885 42.059 -0.024 0.000 1.191 854 L HN 0.776 nan 8.230 nan 0.000 0.459 855 F N 1.713 121.462 119.950 -0.334 0.000 2.653 855 F HA 0.552 5.080 4.527 0.003 0.000 0.327 855 F C -1.583 174.039 175.800 -0.296 0.000 1.195 855 F CA -0.933 56.961 58.000 -0.176 0.000 0.993 855 F CB 0.959 39.913 39.000 -0.077 0.000 1.259 855 F HN 0.066 nan 8.300 nan 0.000 0.478 856 F N 5.252 124.944 119.950 -0.430 0.000 2.492 856 F HA 0.763 5.293 4.527 0.006 0.000 0.327 856 F C -0.021 175.398 175.800 -0.634 0.000 1.079 856 F CA -0.835 56.923 58.000 -0.403 0.000 0.967 856 F CB 1.739 40.661 39.000 -0.130 0.000 1.169 856 F HN 0.327 nan 8.300 nan 0.000 0.472 857 R N 1.214 121.556 120.500 -0.263 0.000 2.522 857 R HA 0.414 4.757 4.340 0.004 0.000 0.283 857 R C -1.607 174.625 176.300 -0.113 0.000 1.074 857 R CA -0.461 55.456 56.100 -0.305 0.000 0.925 857 R CB 2.283 32.340 30.300 -0.405 0.000 1.205 857 R HN 0.745 nan 8.270 nan 0.000 0.436 858 S N 3.153 118.765 115.700 -0.147 0.000 2.508 858 S HA 0.549 5.022 4.470 0.004 0.000 0.284 858 S C -1.066 173.432 174.600 -0.169 0.000 1.192 858 S CA -0.347 57.822 58.200 -0.052 0.000 1.070 858 S CB 0.750 63.937 63.200 -0.023 0.000 1.004 858 S HN 0.316 nan 8.310 nan 0.000 0.493 859 Y N 1.929 122.209 120.300 -0.033 0.000 2.409 859 Y HA 0.666 5.221 4.550 0.007 0.000 0.339 859 Y C 0.246 176.131 175.900 -0.025 0.000 1.033 859 Y CA -0.902 57.185 58.100 -0.021 0.000 1.094 859 Y CB 1.343 39.786 38.460 -0.028 0.000 1.210 859 Y HN 0.396 nan 8.280 nan 0.000 0.456 860 M N 2.961 122.643 119.600 0.137 0.000 2.433 860 M HA 0.452 4.935 4.480 0.004 0.000 0.290 860 M C -2.303 174.089 176.300 0.154 0.000 1.173 860 M CA -0.226 55.133 55.300 0.098 0.000 0.905 860 M CB 2.505 35.174 32.600 0.115 0.000 1.692 860 M HN 0.838 nan 8.290 nan 0.000 0.462 861 D N 1.501 122.009 120.400 0.179 0.000 2.615 861 D HA 0.594 5.236 4.640 0.004 0.000 0.267 861 D C -1.643 174.899 176.300 0.403 0.000 1.236 861 D CA 0.102 54.269 54.000 0.279 0.000 0.839 861 D CB 2.233 43.222 40.800 0.315 0.000 1.380 861 D HN 0.701 nan 8.370 nan 0.000 0.433 862 Q N -0.009 119.989 119.800 0.330 0.000 2.707 862 Q HA 0.462 4.805 4.340 0.004 0.000 0.307 862 Q C -1.068 174.950 176.000 0.030 0.000 0.934 862 Q CA -0.775 55.190 55.803 0.269 0.000 0.753 862 Q CB 2.578 31.456 28.738 0.235 0.000 1.478 862 Q HN 0.286 nan 8.270 nan 0.000 0.458 863 E N 0.865 121.046 120.200 -0.033 0.000 2.299 863 E HA 0.386 4.739 4.350 0.004 0.000 0.265 863 E C -1.327 175.227 176.600 -0.077 0.000 0.911 863 E CA -0.830 55.483 56.400 -0.145 0.000 0.789 863 E CB 2.330 31.886 29.700 -0.240 0.000 1.246 863 E HN 0.613 nan 8.360 nan 0.000 0.427 864 K N -0.113 120.240 120.400 -0.078 0.000 1.226 864 K HA -0.263 4.060 4.320 0.004 0.000 0.750 864 K C -0.108 176.431 176.600 -0.100 0.000 1.872 864 K CA 1.100 57.343 56.287 -0.074 0.000 1.268 864 K CB -0.494 31.941 32.500 -0.108 0.000 2.312 864 K HN 0.521 nan 8.250 nan 0.000 0.456 865 K N -0.213 120.020 120.400 -0.277 0.000 3.257 865 K HA 0.050 4.373 4.320 0.004 0.000 0.185 865 K C 1.483 178.135 176.600 0.087 0.000 1.120 865 K CA 0.854 57.044 56.287 -0.161 0.000 1.419 865 K CB -0.419 31.914 32.500 -0.279 0.000 1.952 865 K HN 0.652 nan 8.250 nan 0.000 0.477 866 Y N 1.203 121.500 120.300 -0.005 0.000 2.500 866 Y HA 0.257 4.809 4.550 0.004 0.000 0.246 866 Y C 1.830 177.730 175.900 0.000 0.000 1.146 866 Y CA -0.063 58.036 58.100 -0.001 0.000 1.230 866 Y CB 0.835 39.296 38.460 0.001 0.000 1.214 866 Y HN 0.537 nan 8.280 nan 0.000 0.526 867 G N 1.469 110.329 108.800 0.099 0.000 2.705 867 G HA2 -0.155 3.808 3.960 0.004 0.000 0.214 867 G HA3 -0.155 3.808 3.960 0.004 0.000 0.214 867 G C 0.970 175.889 174.900 0.032 0.000 1.321 867 G CA 0.418 45.556 45.100 0.063 0.000 0.826 867 G HN 0.135 nan 8.290 nan 0.000 0.595 868 M N 1.700 121.305 119.600 0.008 0.000 2.307 868 M HA 0.417 4.900 4.480 0.004 0.000 0.346 868 M C 0.190 176.497 176.300 0.012 0.000 1.552 868 M CA 1.001 56.302 55.300 0.002 0.000 1.116 868 M CB 0.707 33.300 32.600 -0.013 0.000 1.889 868 M HN 0.341 nan 8.290 nan 0.000 0.460 869 S N 2.522 118.233 115.700 0.019 0.000 2.348 869 S HA 0.275 4.747 4.470 0.004 0.000 0.276 869 S C 0.584 175.195 174.600 0.019 0.000 1.027 869 S CA -0.412 57.800 58.200 0.019 0.000 1.386 869 S CB -0.072 63.143 63.200 0.024 0.000 1.122 869 S HN 0.731 nan 8.310 nan 0.000 0.573 870 I N 2.775 123.361 120.570 0.027 0.000 3.569 870 I HA 0.268 4.440 4.170 0.004 0.000 0.334 870 I C -0.566 175.558 176.117 0.012 0.000 1.570 870 I CA -0.150 61.165 61.300 0.025 0.000 1.082 870 I CB 0.860 38.885 38.000 0.043 0.000 1.323 870 I HN 0.030 nan 8.210 nan 0.000 0.489 871 T N 2.151 116.702 114.554 -0.006 0.000 2.817 871 T HA 0.123 4.476 4.350 0.004 0.000 0.295 871 T C 0.485 175.157 174.700 -0.047 0.000 0.958 871 T CA 0.165 62.246 62.100 -0.032 0.000 1.157 871 T CB 0.434 69.280 68.868 -0.037 0.000 0.898 871 T HN 0.289 nan 8.240 nan 0.000 0.536 872 E N 1.819 121.974 120.200 -0.076 0.000 2.371 872 E HA 0.376 4.729 4.350 0.004 0.000 0.257 872 E C 0.007 176.516 176.600 -0.152 0.000 1.134 872 E CA -0.423 55.911 56.400 -0.111 0.000 0.919 872 E CB 0.665 30.278 29.700 -0.146 0.000 1.025 872 E HN 0.569 nan 8.360 nan 0.000 0.438 873 T N 0.358 114.819 114.554 -0.155 0.000 2.900 873 T HA 0.407 4.760 4.350 0.004 0.000 0.295 873 T C -0.741 173.888 174.700 -0.119 0.000 1.044 873 T CA -0.715 61.313 62.100 -0.120 0.000 0.995 873 T CB 0.592 69.442 68.868 -0.029 0.000 1.072 873 T HN 0.243 nan 8.240 nan 0.000 0.473 874 F N 2.561 122.524 119.950 0.022 0.000 2.391 874 F HA 0.469 4.999 4.527 0.004 0.000 0.359 874 F C 0.961 176.771 175.800 0.017 0.000 1.122 874 F CA -0.522 57.492 58.000 0.023 0.000 1.120 874 F CB 0.786 39.798 39.000 0.021 0.000 1.142 874 F HN 0.682 nan 8.300 nan 0.000 0.483 875 E N 2.166 122.499 120.200 0.222 0.000 2.423 875 E HA 0.245 4.598 4.350 0.004 0.000 0.280 875 E C -1.625 175.031 176.600 0.092 0.000 1.030 875 E CA -1.362 55.107 56.400 0.116 0.000 0.812 875 E CB 1.822 31.562 29.700 0.066 0.000 1.313 875 E HN 0.297 nan 8.360 nan 0.000 0.456 876 K N 2.116 122.548 120.400 0.054 0.000 2.231 876 K HA 0.290 4.613 4.320 0.004 0.000 0.275 876 K C -2.281 174.295 176.600 -0.040 0.000 1.105 876 K CA -1.577 54.733 56.287 0.038 0.000 0.931 876 K CB 0.258 32.785 32.500 0.044 0.000 1.296 876 K HN 0.293 nan 8.250 nan 0.000 0.446 877 P HA 0.093 nan 4.420 nan 0.000 0.274 877 P C -1.570 175.584 177.300 -0.243 0.000 1.256 877 P CA -0.307 62.692 63.100 -0.169 0.000 0.795 877 P CB 0.590 32.171 31.700 -0.199 0.000 1.038 878 Q N -0.625 119.070 119.800 -0.175 0.000 2.295 878 Q HA 0.487 4.830 4.340 0.004 0.000 0.268 878 Q C -0.023 175.911 176.000 -0.111 0.000 1.010 878 Q CA -1.076 54.632 55.803 -0.158 0.000 0.856 878 Q CB 1.725 30.405 28.738 -0.096 0.000 1.349 878 Q HN 0.039 nan 8.270 nan 0.000 0.412 879 R N 0.712 121.150 120.500 -0.103 0.000 3.508 879 R HA -0.247 4.096 4.340 0.004 0.000 0.571 879 R C -0.354 175.915 176.300 -0.051 0.000 0.242 879 R CA 2.031 58.094 56.100 -0.062 0.000 1.588 879 R CB -2.918 27.359 30.300 -0.038 0.000 0.785 879 R HN 1.440 nan 8.270 nan 0.000 0.576 880 T N 1.317 115.850 114.554 -0.035 0.000 2.260 880 T HA -0.153 4.200 4.350 0.004 0.000 0.543 880 T C 0.568 175.257 174.700 -0.019 0.000 0.855 880 T CA 0.791 62.876 62.100 -0.026 0.000 2.888 880 T CB -0.814 68.037 68.868 -0.028 0.000 1.762 880 T HN 0.583 nan 8.240 nan 0.000 0.477 881 N N -0.794 117.899 118.700 -0.012 0.000 2.309 881 N HA -0.284 4.458 4.740 0.004 0.000 0.227 881 N C 1.569 177.076 175.510 -0.005 0.000 0.815 881 N CA 2.625 55.671 53.050 -0.007 0.000 2.729 881 N CB -1.610 36.874 38.487 -0.005 0.000 0.821 881 N HN 0.846 nan 8.380 nan 0.000 0.479 882 T N 1.424 115.973 114.554 -0.009 0.000 2.737 882 T HA 0.016 4.369 4.350 0.004 0.000 0.265 882 T C 1.409 176.108 174.700 -0.002 0.000 1.038 882 T CA 1.619 63.716 62.100 -0.006 0.000 1.144 882 T CB -0.430 68.432 68.868 -0.010 0.000 0.866 882 T HN 0.513 nan 8.240 nan 0.000 0.434 883 L N 0.127 121.347 121.223 -0.005 0.000 4.191 883 L HA -0.178 4.164 4.340 0.004 0.000 0.480 883 L C 0.134 177.009 176.870 0.008 0.000 1.095 883 L CA 0.722 55.564 54.840 0.003 0.000 0.747 883 L CB -1.927 40.138 42.059 0.010 0.000 1.700 883 L HN 0.174 nan 8.230 nan 0.000 0.835 884 R N 0.536 121.038 120.500 0.004 0.000 2.724 884 R HA 0.531 4.874 4.340 0.004 0.000 0.284 884 R C 0.178 176.483 176.300 0.009 0.000 1.481 884 R CA -0.450 55.653 56.100 0.005 0.000 1.652 884 R CB 0.609 30.913 30.300 0.007 0.000 1.175 884 R HN 0.404 nan 8.270 nan 0.000 0.613 885 M N 0.142 119.752 119.600 0.015 0.000 2.319 885 M HA 0.456 4.939 4.480 0.004 0.000 0.215 885 M C -0.145 176.190 176.300 0.057 0.000 0.664 885 M CA -0.364 54.975 55.300 0.065 0.000 1.851 885 M CB 0.027 32.666 32.600 0.065 0.000 1.122 885 M HN -0.091 nan 8.290 nan 0.000 0.902 886 K N -0.711 119.765 120.400 0.126 0.000 2.444 886 K HA 0.340 4.662 4.320 0.004 0.000 0.252 886 K C 0.671 177.241 176.600 -0.051 0.000 0.993 886 K CA -0.453 55.800 56.287 -0.056 0.000 0.847 886 K CB 1.232 33.697 32.500 -0.058 0.000 1.340 886 K HN 0.364 nan 8.250 nan 0.000 0.446 887 H N -0.514 118.582 119.070 0.044 0.000 2.529 887 H HA 0.089 4.647 4.556 0.003 0.000 0.277 887 H C 0.916 176.250 175.328 0.008 0.000 0.999 887 H CA 0.745 56.812 56.048 0.031 0.000 1.256 887 H CB 0.017 29.790 29.762 0.019 0.000 1.402 887 H HN 0.629 nan 8.280 nan 0.000 0.566 888 G N 0.786 109.609 108.800 0.038 0.000 2.535 888 G HA2 0.297 4.260 3.960 0.004 0.000 0.282 888 G HA3 0.297 4.260 3.960 0.004 0.000 0.282 888 G C -0.147 174.709 174.900 -0.074 0.000 1.350 888 G CA -0.206 44.865 45.100 -0.048 0.000 1.039 888 G HN 0.293 nan 8.290 nan 0.000 0.509 889 T N -2.778 111.709 114.554 -0.112 0.000 2.859 889 T HA 0.406 4.758 4.350 0.004 0.000 0.281 889 T C -0.068 174.545 174.700 -0.144 0.000 1.005 889 T CA -0.564 61.511 62.100 -0.043 0.000 1.025 889 T CB 1.640 70.510 68.868 0.005 0.000 0.977 889 T HN 0.367 nan 8.240 nan 0.000 0.458 890 Y N -0.092 120.205 120.300 -0.005 0.000 2.482 890 Y HA 0.157 4.708 4.550 0.001 0.000 0.270 890 Y C 1.723 177.615 175.900 -0.012 0.000 1.152 890 Y CA -0.357 57.737 58.100 -0.010 0.000 1.292 890 Y CB 0.073 38.531 38.460 -0.003 0.000 1.070 890 Y HN 0.631 nan 8.280 nan 0.000 0.528 891 D N 0.423 120.891 120.400 0.112 0.000 2.390 891 D HA -0.091 4.552 4.640 0.004 0.000 0.235 891 D C 1.172 177.488 176.300 0.028 0.000 1.040 891 D CA 0.857 54.896 54.000 0.064 0.000 0.923 891 D CB 0.080 40.908 40.800 0.047 0.000 0.886 891 D HN 0.422 nan 8.370 nan 0.000 0.532 892 K N -0.424 119.983 120.400 0.012 0.000 2.360 892 K HA 0.193 4.516 4.320 0.004 0.000 0.196 892 K C 0.733 177.327 176.600 -0.011 0.000 1.049 892 K CA -0.129 56.151 56.287 -0.012 0.000 1.049 892 K CB 0.994 33.470 32.500 -0.039 0.000 0.881 892 K HN 0.014 nan 8.250 nan 0.000 0.542 893 L N 2.056 123.288 121.223 0.015 0.000 2.397 893 L HA 0.085 4.428 4.340 0.004 0.000 0.271 893 L C 0.347 177.228 176.870 0.019 0.000 1.148 893 L CA 0.046 54.897 54.840 0.018 0.000 0.825 893 L CB 0.542 42.643 42.059 0.070 0.000 1.117 893 L HN 0.135 nan 8.230 nan 0.000 0.456 894 D N 1.044 121.444 120.400 0.001 0.000 2.506 894 D HA 0.046 4.689 4.640 0.004 0.000 0.272 894 D C 0.342 176.648 176.300 0.009 0.000 1.214 894 D CA -0.516 53.485 54.000 0.002 0.000 1.067 894 D CB 0.919 41.712 40.800 -0.011 0.000 1.117 894 D HN 0.493 nan 8.370 nan 0.000 0.578 895 D N 0.200 120.605 120.400 0.009 0.000 2.309 895 D HA -0.132 4.511 4.640 0.004 0.000 0.212 895 D C 1.073 177.387 176.300 0.024 0.000 0.968 895 D CA 0.891 54.901 54.000 0.016 0.000 0.882 895 D CB 0.018 40.825 40.800 0.012 0.000 0.918 895 D HN 0.423 nan 8.370 nan 0.000 0.503 896 D N -0.903 119.506 120.400 0.014 0.000 2.339 896 D HA 0.065 4.707 4.640 0.004 0.000 0.217 896 D C 1.540 177.851 176.300 0.019 0.000 1.050 896 D CA 0.694 54.706 54.000 0.021 0.000 0.856 896 D CB 0.126 40.922 40.800 -0.007 0.000 0.922 896 D HN 0.204 nan 8.370 nan 0.000 0.518 897 G N 0.113 108.927 108.800 0.022 0.000 2.195 897 G HA2 -0.237 3.726 3.960 0.004 0.000 0.246 897 G HA3 -0.237 3.726 3.960 0.004 0.000 0.246 897 G C 0.070 174.937 174.900 -0.055 0.000 0.984 897 G CA 0.364 45.484 45.100 0.033 0.000 0.633 897 G HN 0.396 nan 8.290 nan 0.000 0.525 898 L N 0.719 121.882 121.223 -0.101 0.000 2.334 898 L HA 0.698 5.040 4.340 0.004 0.000 0.270 898 L C 1.164 177.984 176.870 -0.083 0.000 1.018 898 L CA -1.400 53.360 54.840 -0.134 0.000 0.811 898 L CB 1.304 43.254 42.059 -0.181 0.000 1.271 898 L HN 0.071 nan 8.230 nan 0.000 0.443 899 I N 0.431 120.945 120.570 -0.092 0.000 3.156 899 I HA 0.467 4.640 4.170 0.004 0.000 0.306 899 I C 0.379 176.456 176.117 -0.067 0.000 1.048 899 I CA -0.387 60.869 61.300 -0.073 0.000 1.207 899 I CB 0.829 38.778 38.000 -0.086 0.000 1.456 899 I HN 0.594 nan 8.210 nan 0.000 0.616 900 A N 2.401 125.190 122.820 -0.051 0.000 2.337 900 A HA 0.641 4.963 4.320 0.004 0.000 0.329 900 A C -2.437 175.123 177.584 -0.039 0.000 1.146 900 A CA -1.769 50.242 52.037 -0.044 0.000 0.800 900 A CB 0.496 19.476 19.000 -0.032 0.000 1.220 900 A HN 0.471 nan 8.150 nan 0.000 0.472 901 P HA 0.140 nan 4.420 nan 0.000 0.240 901 P C 0.793 178.083 177.300 -0.017 0.000 1.594 901 P CA 1.455 64.541 63.100 -0.023 0.000 1.184 901 P CB -0.032 31.658 31.700 -0.016 0.000 1.915 902 G N -0.323 108.464 108.800 -0.021 0.000 3.159 902 G HA2 0.009 3.972 3.960 0.004 0.000 0.185 902 G HA3 0.009 3.972 3.960 0.004 0.000 0.185 902 G C 0.030 174.918 174.900 -0.020 0.000 1.523 902 G CA -0.114 44.976 45.100 -0.017 0.000 0.752 902 G HN 0.229 nan 8.290 nan 0.000 0.964 903 V N 1.809 121.707 119.914 -0.027 0.000 3.051 903 V HA 0.370 4.493 4.120 0.004 0.000 0.306 903 V C 0.621 176.696 176.094 -0.031 0.000 1.083 903 V CA -0.401 61.882 62.300 -0.028 0.000 1.104 903 V CB 0.911 32.714 31.823 -0.034 0.000 1.027 903 V HN 0.240 nan 8.190 nan 0.000 0.483 904 R N 1.149 121.633 120.500 -0.028 0.000 2.441 904 R HA 0.625 4.967 4.340 0.004 0.000 0.284 904 R C -0.892 175.385 176.300 -0.039 0.000 1.070 904 R CA -0.369 55.714 56.100 -0.028 0.000 1.047 904 R CB 1.468 31.757 30.300 -0.019 0.000 1.016 904 R HN 0.705 nan 8.270 nan 0.000 0.477 905 V N -0.896 118.991 119.914 -0.044 0.000 2.760 905 V HA 0.768 4.890 4.120 0.004 0.000 0.309 905 V C -0.654 175.415 176.094 -0.041 0.000 1.077 905 V CA -0.860 61.405 62.300 -0.058 0.000 0.910 905 V CB 1.890 33.655 31.823 -0.096 0.000 1.008 905 V HN 0.926 nan 8.190 nan 0.000 0.424 906 S N 1.204 116.881 115.700 -0.037 0.000 2.543 906 S HA 0.938 5.411 4.470 0.004 0.000 0.274 906 S C 0.112 174.701 174.600 -0.019 0.000 1.149 906 S CA 0.091 58.281 58.200 -0.018 0.000 0.866 906 S CB 1.068 64.265 63.200 -0.006 0.000 1.111 906 S HN 2.767 nan 8.310 nan 0.000 0.457 907 G N 1.990 110.787 108.800 -0.005 0.000 2.598 907 G HA2 -0.215 3.748 3.960 0.004 0.000 0.244 907 G HA3 -0.215 3.748 3.960 0.004 0.000 0.244 907 G C -0.048 174.842 174.900 -0.016 0.000 1.302 907 G CA 0.313 45.411 45.100 -0.002 0.000 0.903 907 G HN 0.996 nan 8.290 nan 0.000 0.575 908 E N 1.293 121.484 120.200 -0.016 0.000 2.438 908 E HA 0.156 4.509 4.350 0.004 0.000 0.192 908 E C 0.137 176.677 176.600 -0.100 0.000 1.110 908 E CA 0.247 56.626 56.400 -0.035 0.000 0.893 908 E CB -0.090 29.610 29.700 -0.001 0.000 0.990 908 E HN 0.421 nan 8.360 nan 0.000 0.490 909 D N 1.107 121.443 120.400 -0.106 0.000 2.629 909 D HA -0.078 4.565 4.640 0.004 0.000 0.228 909 D C -0.097 176.075 176.300 -0.214 0.000 1.127 909 D CA 0.419 54.328 54.000 -0.151 0.000 0.855 909 D CB 0.800 41.526 40.800 -0.122 0.000 1.180 909 D HN -0.127 nan 8.370 nan 0.000 0.484 910 V N 4.133 123.867 119.914 -0.300 0.000 2.530 910 V HA 0.091 4.213 4.120 0.004 0.000 0.282 910 V C 1.550 177.515 176.094 -0.214 0.000 1.048 910 V CA -0.094 62.014 62.300 -0.320 0.000 0.997 910 V CB 1.313 32.790 31.823 -0.576 0.000 0.987 910 V HN 0.465 nan 8.190 nan 0.000 0.477 911 I N 4.114 124.562 120.570 -0.203 0.000 3.790 911 I HA 0.309 4.482 4.170 0.004 0.000 0.305 911 I C 0.163 176.195 176.117 -0.142 0.000 1.253 911 I CA 0.785 61.959 61.300 -0.209 0.000 1.355 911 I CB 0.570 38.353 38.000 -0.361 0.000 1.137 911 I HN 0.429 nan 8.210 nan 0.000 0.435 912 I N 0.792 121.313 120.570 -0.080 0.000 2.560 912 I HA 0.309 4.481 4.170 0.004 0.000 0.283 912 I C -0.164 176.011 176.117 0.098 0.000 1.115 912 I CA -0.427 60.855 61.300 -0.029 0.000 1.066 912 I CB 1.748 39.733 38.000 -0.026 0.000 1.221 912 I HN -0.095 nan 8.210 nan 0.000 0.450 913 G N 5.572 114.464 108.800 0.152 0.000 2.348 913 G HA2 0.721 4.684 3.960 0.004 0.000 0.312 913 G HA3 0.721 4.684 3.960 0.004 0.000 0.312 913 G C -0.864 174.217 174.900 0.302 0.000 1.126 913 G CA -0.358 44.891 45.100 0.248 0.000 0.865 913 G HN 0.650 nan 8.290 nan 0.000 0.474 914 K N 0.154 120.703 120.400 0.248 0.000 2.542 914 K HA 0.669 4.992 4.320 0.004 0.000 0.259 914 K C -0.847 175.796 176.600 0.070 0.000 0.932 914 K CA -0.853 55.540 56.287 0.176 0.000 0.820 914 K CB 1.747 34.310 32.500 0.104 0.000 1.345 914 K HN 0.501 nan 8.250 nan 0.000 0.432 915 T N -1.136 113.430 114.554 0.020 0.000 2.940 915 T HA 0.473 4.826 4.350 0.004 0.000 0.288 915 T C -0.453 174.237 174.700 -0.017 0.000 1.033 915 T CA -0.831 61.272 62.100 0.005 0.000 1.033 915 T CB 1.741 70.608 68.868 -0.001 0.000 1.079 915 T HN 0.619 nan 8.240 nan 0.000 0.496 916 T N 2.160 116.710 114.554 -0.007 0.000 2.864 916 T HA 0.518 4.870 4.350 0.004 0.000 0.299 916 T C -3.022 171.677 174.700 -0.002 0.000 1.011 916 T CA -1.988 60.108 62.100 -0.007 0.000 0.975 916 T CB 1.011 69.880 68.868 0.002 0.000 0.962 916 T HN 0.447 nan 8.240 nan 0.000 0.448 917 P HA 0.354 nan 4.420 nan 0.000 0.274 917 P C -0.369 176.933 177.300 0.005 0.000 1.470 917 P CA -0.555 62.544 63.100 -0.001 0.000 1.001 917 P CB 0.068 31.766 31.700 -0.003 0.000 1.332 918 I N 2.865 123.438 120.570 0.006 0.000 2.428 918 I HA 0.335 4.508 4.170 0.004 0.000 0.289 918 I C 1.130 177.251 176.117 0.007 0.000 1.019 918 I CA 0.191 61.496 61.300 0.008 0.000 1.351 918 I CB 1.132 39.137 38.000 0.009 0.000 1.412 918 I HN 0.404 nan 8.210 nan 0.000 0.513 934 K N 1.314 121.709 120.400 -0.009 0.000 2.248 934 K HA 0.561 4.883 4.320 0.004 0.000 0.281 934 K C -0.515 176.080 176.600 -0.009 0.000 1.054 934 K CA -0.258 56.023 56.287 -0.010 0.000 0.903 934 K CB 1.059 33.550 32.500 -0.015 0.000 1.077 934 K HN 0.257 nan 8.250 nan 0.000 0.474 935 R N 1.820 122.319 120.500 -0.002 0.000 2.404 935 R HA 0.086 4.428 4.340 0.004 0.000 0.291 935 R C -0.492 175.813 176.300 0.009 0.000 1.025 935 R CA -0.594 55.508 56.100 0.003 0.000 0.991 935 R CB 0.959 31.264 30.300 0.008 0.000 1.053 935 R HN 0.663 nan 8.270 nan 0.000 0.479 936 D N 0.649 121.058 120.400 0.014 0.000 2.339 936 D HA 0.268 4.911 4.640 0.004 0.000 0.245 936 D C -0.527 175.804 176.300 0.051 0.000 1.115 936 D CA -0.008 54.014 54.000 0.036 0.000 0.917 936 D CB 1.012 41.841 40.800 0.048 0.000 1.192 936 D HN 0.546 nan 8.370 nan 0.000 0.428 937 A N 1.898 124.764 122.820 0.076 0.000 2.958 937 A HA 0.286 4.609 4.320 0.004 0.000 0.214 937 A C -0.230 177.419 177.584 0.109 0.000 0.902 937 A CA -0.547 51.536 52.037 0.077 0.000 1.136 937 A CB -0.023 19.013 19.000 0.059 0.000 1.250 937 A HN 0.359 nan 8.150 nan 0.000 0.497 938 S N 0.775 116.554 115.700 0.132 0.000 2.592 938 S HA 0.478 4.951 4.470 0.004 0.000 0.271 938 S C 0.348 174.994 174.600 0.076 0.000 1.326 938 S CA 0.141 58.427 58.200 0.145 0.000 1.024 938 S CB 0.845 64.191 63.200 0.243 0.000 0.921 938 S HN 0.470 nan 8.310 nan 0.000 0.527 939 T N 4.101 118.687 114.554 0.052 0.000 2.947 939 T HA 0.413 4.766 4.350 0.004 0.000 0.337 939 T C -2.610 172.071 174.700 -0.032 0.000 1.139 939 T CA -1.393 60.733 62.100 0.043 0.000 0.992 939 T CB 0.757 69.680 68.868 0.091 0.000 1.043 939 T HN 0.299 nan 8.240 nan 0.000 0.498 940 P HA 0.259 nan 4.420 nan 0.000 0.276 940 P C 0.226 177.486 177.300 -0.067 0.000 1.252 940 P CA -0.872 62.174 63.100 -0.090 0.000 0.802 940 P CB 0.804 32.466 31.700 -0.064 0.000 1.035 941 L N 1.728 122.871 121.223 -0.133 0.000 2.483 941 L HA 0.081 4.424 4.340 0.004 0.000 0.275 941 L C 1.012 177.936 176.870 0.089 0.000 1.220 941 L CA -0.357 54.420 54.840 -0.106 0.000 0.833 941 L CB 0.334 42.322 42.059 -0.118 0.000 1.102 941 L HN 0.316 nan 8.230 nan 0.000 0.490 942 R N 2.054 122.695 120.500 0.235 0.000 2.488 942 R HA -0.061 4.281 4.340 0.004 0.000 0.317 942 R C 1.378 177.737 176.300 0.100 0.000 0.941 942 R CA 0.549 56.751 56.100 0.169 0.000 1.076 942 R CB 0.054 30.462 30.300 0.181 0.000 0.917 942 R HN 0.786 nan 8.270 nan 0.000 0.407 943 S N 1.274 117.017 115.700 0.073 0.000 2.512 943 S HA -0.169 4.304 4.470 0.004 0.000 0.253 943 S C 1.130 175.762 174.600 0.054 0.000 0.984 943 S CA 1.729 59.963 58.200 0.056 0.000 0.962 943 S CB -0.167 63.066 63.200 0.055 0.000 0.747 943 S HN 0.678 nan 8.310 nan 0.000 0.525 944 T N -0.841 113.750 114.554 0.062 0.000 2.978 944 T HA 0.263 4.615 4.350 0.004 0.000 0.248 944 T C 0.385 175.123 174.700 0.063 0.000 1.018 944 T CA -0.307 61.827 62.100 0.056 0.000 1.026 944 T CB 0.084 68.982 68.868 0.051 0.000 1.032 944 T HN 0.482 nan 8.240 nan 0.000 0.485 945 E N 3.143 123.397 120.200 0.090 0.000 2.227 945 E HA 0.231 4.584 4.350 0.004 0.000 0.282 945 E C -0.495 176.157 176.600 0.086 0.000 1.015 945 E CA -0.555 55.915 56.400 0.116 0.000 0.823 945 E CB 0.644 30.461 29.700 0.195 0.000 1.081 945 E HN 0.416 nan 8.360 nan 0.000 0.396 946 N N 2.497 121.240 118.700 0.072 0.000 2.563 946 N HA 0.705 5.447 4.740 0.004 0.000 0.288 946 N C -0.057 175.481 175.510 0.047 0.000 1.246 946 N CA -0.317 52.758 53.050 0.042 0.000 0.946 946 N CB 1.869 40.373 38.487 0.027 0.000 1.213 946 N HN 0.602 nan 8.380 nan 0.000 0.578 947 G N -0.948 107.861 108.800 0.016 0.000 2.343 947 G HA2 0.328 4.290 3.960 0.004 0.000 0.289 947 G HA3 0.328 4.290 3.960 0.004 0.000 0.289 947 G C -1.986 172.901 174.900 -0.022 0.000 1.295 947 G CA -0.802 44.298 45.100 0.001 0.000 0.869 947 G HN 0.526 nan 8.290 nan 0.000 0.522 948 I N 0.193 120.742 120.570 -0.034 0.000 2.509 948 I HA 0.485 4.658 4.170 0.004 0.000 0.293 948 I C 0.497 176.592 176.117 -0.037 0.000 1.020 948 I CA -1.025 60.255 61.300 -0.034 0.000 1.088 948 I CB 2.121 40.105 38.000 -0.027 0.000 1.267 948 I HN 0.368 nan 8.210 nan 0.000 0.430 949 V N 4.997 124.889 119.914 -0.037 0.000 2.585 949 V HA 0.003 4.126 4.120 0.004 0.000 0.296 949 V C 0.749 176.840 176.094 -0.005 0.000 1.035 949 V CA 0.310 62.591 62.300 -0.031 0.000 1.084 949 V CB 0.753 32.546 31.823 -0.050 0.000 0.953 949 V HN 0.878 nan 8.190 nan 0.000 0.483 950 D N 2.668 123.083 120.400 0.025 0.000 2.725 950 D HA 0.089 4.732 4.640 0.004 0.000 0.269 950 D C 0.494 176.824 176.300 0.050 0.000 1.018 950 D CA 0.477 54.516 54.000 0.065 0.000 0.956 950 D CB 0.995 41.893 40.800 0.163 0.000 1.141 950 D HN 0.651 nan 8.370 nan 0.000 0.478 951 Q N 0.567 120.390 119.800 0.039 0.000 2.327 951 Q HA 0.386 4.728 4.340 0.004 0.000 0.265 951 Q C -1.932 174.060 176.000 -0.013 0.000 0.993 951 Q CA -0.532 55.278 55.803 0.012 0.000 0.885 951 Q CB 2.757 31.507 28.738 0.020 0.000 1.379 951 Q HN -0.120 nan 8.270 nan 0.000 0.408 952 V N 3.912 123.803 119.914 -0.038 0.000 2.715 952 V HA 0.635 4.757 4.120 0.004 0.000 0.310 952 V C -0.691 175.356 176.094 -0.079 0.000 1.054 952 V CA -0.768 61.491 62.300 -0.068 0.000 0.928 952 V CB 1.897 33.668 31.823 -0.087 0.000 1.007 952 V HN 0.736 nan 8.190 nan 0.000 0.437 953 L N 4.312 125.467 121.223 -0.113 0.000 2.441 953 L HA 0.667 5.009 4.340 0.004 0.000 0.270 953 L C -1.276 175.497 176.870 -0.161 0.000 0.973 953 L CA -0.377 54.395 54.840 -0.113 0.000 0.842 953 L CB 1.880 43.877 42.059 -0.103 0.000 1.239 953 L HN 0.488 nan 8.230 nan 0.000 0.406 954 V N 3.596 123.445 119.914 -0.109 0.000 2.357 954 V HA 0.687 4.810 4.120 0.004 0.000 0.284 954 V C -0.039 176.046 176.094 -0.016 0.000 1.018 954 V CA -0.209 62.036 62.300 -0.091 0.000 0.841 954 V CB 1.397 33.180 31.823 -0.066 0.000 0.991 954 V HN 0.830 nan 8.190 nan 0.000 0.437 955 T N 2.225 116.798 114.554 0.033 0.000 2.812 955 T HA 0.488 4.841 4.350 0.004 0.000 0.294 955 T C -0.505 174.354 174.700 0.266 0.000 1.159 955 T CA -0.484 61.704 62.100 0.147 0.000 1.008 955 T CB 2.225 71.207 68.868 0.190 0.000 1.289 955 T HN 0.641 nan 8.240 nan 0.000 0.514 956 T N 1.145 115.830 114.554 0.219 0.000 2.888 956 T HA 0.592 4.945 4.350 0.004 0.000 0.284 956 T C -0.856 173.916 174.700 0.119 0.000 1.017 956 T CA -0.689 61.519 62.100 0.180 0.000 1.022 956 T CB 0.697 69.623 68.868 0.096 0.000 1.013 956 T HN 0.582 nan 8.240 nan 0.000 0.465 957 N N 2.950 121.665 118.700 0.024 0.000 2.372 957 N HA 0.298 5.041 4.740 0.004 0.000 0.285 957 N C 1.046 176.510 175.510 -0.076 0.000 1.008 957 N CA -0.337 52.640 53.050 -0.122 0.000 0.880 957 N CB 1.166 39.431 38.487 -0.370 0.000 1.239 957 N HN 0.821 nan 8.380 nan 0.000 0.484 958 Q N 1.117 120.881 119.800 -0.060 0.000 2.592 958 Q HA -0.390 3.953 4.340 0.004 0.000 0.233 958 Q C 0.125 176.110 176.000 -0.025 0.000 1.414 958 Q CA 2.660 58.443 55.803 -0.033 0.000 1.014 958 Q CB -0.396 28.325 28.738 -0.029 0.000 0.934 958 Q HN 0.743 nan 8.270 nan 0.000 0.560 959 D N -1.274 119.103 120.400 -0.038 0.000 2.378 959 D HA 0.058 4.701 4.640 0.004 0.000 0.227 959 D C 0.645 176.922 176.300 -0.038 0.000 1.012 959 D CA 1.213 55.189 54.000 -0.041 0.000 0.905 959 D CB -0.122 40.641 40.800 -0.062 0.000 0.895 959 D HN 0.591 nan 8.370 nan 0.000 0.532 960 G N 1.080 109.867 108.800 -0.021 0.000 2.341 960 G HA2 -0.257 3.706 3.960 0.004 0.000 0.278 960 G HA3 -0.257 3.706 3.960 0.004 0.000 0.278 960 G C -0.086 174.813 174.900 -0.001 0.000 1.111 960 G CA -0.210 44.887 45.100 -0.005 0.000 0.982 960 G HN 0.292 nan 8.290 nan 0.000 0.502 961 L N -0.076 121.153 121.223 0.011 0.000 2.296 961 L HA 0.470 4.813 4.340 0.004 0.000 0.286 961 L C 0.881 177.830 176.870 0.132 0.000 1.023 961 L CA -0.970 53.893 54.840 0.038 0.000 0.812 961 L CB 1.695 43.764 42.059 0.016 0.000 1.223 961 L HN 0.195 nan 8.230 nan 0.000 0.421 962 K N 3.792 124.277 120.400 0.141 0.000 2.436 962 K HA 0.213 4.536 4.320 0.004 0.000 0.282 962 K C -1.163 175.672 176.600 0.392 0.000 1.044 962 K CA 0.093 56.522 56.287 0.237 0.000 1.028 962 K CB 0.331 32.959 32.500 0.214 0.000 0.919 962 K HN 0.465 nan 8.250 nan 0.000 0.474 963 F N 4.127 124.204 119.950 0.212 0.000 2.588 963 F HA 0.434 4.965 4.527 0.006 0.000 0.314 963 F C -1.907 173.983 175.800 0.148 0.000 1.134 963 F CA -0.827 57.296 58.000 0.205 0.000 0.961 963 F CB 1.247 40.317 39.000 0.117 0.000 1.239 963 F HN 0.124 nan 8.300 nan 0.000 0.448 964 V N 5.401 125.060 119.914 -0.425 0.000 2.628 964 V HA 0.530 4.653 4.120 0.004 0.000 0.306 964 V C -0.863 174.918 176.094 -0.522 0.000 1.045 964 V CA -0.910 61.113 62.300 -0.462 0.000 0.905 964 V CB 2.241 33.840 31.823 -0.374 0.000 0.997 964 V HN 0.750 nan 8.190 nan 0.000 0.436 965 K N 3.241 123.400 120.400 -0.402 0.000 2.502 965 K HA 0.634 4.957 4.320 0.004 0.000 0.254 965 K C -1.553 174.979 176.600 -0.114 0.000 0.947 965 K CA -0.559 55.596 56.287 -0.220 0.000 0.834 965 K CB 2.318 34.702 32.500 -0.193 0.000 1.112 965 K HN 0.421 nan 8.250 nan 0.000 0.427 966 V N 3.936 123.829 119.914 -0.035 0.000 2.334 966 V HA 0.325 4.448 4.120 0.004 0.000 0.281 966 V C -0.030 176.116 176.094 0.087 0.000 1.016 966 V CA -0.821 61.473 62.300 -0.010 0.000 0.832 966 V CB 0.972 32.764 31.823 -0.053 0.000 0.999 966 V HN 0.657 nan 8.190 nan 0.000 0.439 967 R N 4.447 124.987 120.500 0.066 0.000 2.368 967 R HA 0.742 5.085 4.340 0.004 0.000 0.302 967 R C -1.550 174.816 176.300 0.109 0.000 1.002 967 R CA -0.318 55.851 56.100 0.114 0.000 0.929 967 R CB 1.708 32.072 30.300 0.107 0.000 1.073 967 R HN 0.447 nan 8.270 nan 0.000 0.464 968 V N 4.825 124.807 119.914 0.114 0.000 2.540 968 V HA 0.486 4.609 4.120 0.004 0.000 0.302 968 V C -0.425 175.627 176.094 -0.071 0.000 1.035 968 V CA -0.861 61.460 62.300 0.036 0.000 0.873 968 V CB 1.671 33.531 31.823 0.062 0.000 0.992 968 V HN 0.750 nan 8.190 nan 0.000 0.428 969 R N 2.870 123.299 120.500 -0.119 0.000 2.393 969 R HA 0.658 5.001 4.340 0.004 0.000 0.315 969 R C -1.000 175.177 176.300 -0.204 0.000 0.952 969 R CA -0.163 55.750 56.100 -0.310 0.000 0.842 969 R CB 1.806 31.883 30.300 -0.373 0.000 1.163 969 R HN 0.841 nan 8.270 nan 0.000 0.450 970 T N 1.562 116.016 114.554 -0.167 0.000 2.912 970 T HA 0.388 4.740 4.350 0.004 0.000 0.288 970 T C -0.245 174.454 174.700 -0.001 0.000 1.030 970 T CA -0.599 61.494 62.100 -0.011 0.000 1.020 970 T CB 1.936 70.887 68.868 0.138 0.000 1.056 970 T HN 0.385 nan 8.240 nan 0.000 0.480 971 T N 2.679 117.248 114.554 0.025 0.000 2.829 971 T HA 0.454 4.807 4.350 0.004 0.000 0.282 971 T C -0.269 174.439 174.700 0.013 0.000 0.990 971 T CA -0.780 61.349 62.100 0.047 0.000 1.028 971 T CB 0.663 69.579 68.868 0.079 0.000 0.951 971 T HN 0.389 nan 8.240 nan 0.000 0.460 972 K N 3.021 123.410 120.400 -0.018 0.000 2.358 972 K HA 0.516 4.839 4.320 0.004 0.000 0.260 972 K C -0.681 175.874 176.600 -0.076 0.000 0.956 972 K CA -0.566 55.694 56.287 -0.046 0.000 0.834 972 K CB 1.692 34.146 32.500 -0.078 0.000 1.102 972 K HN 0.511 nan 8.250 nan 0.000 0.431 973 I N 3.725 124.258 120.570 -0.061 0.000 2.385 973 I HA 0.223 4.396 4.170 0.004 0.000 0.294 973 I C -1.877 174.238 176.117 -0.002 0.000 0.988 973 I CA -2.604 58.661 61.300 -0.058 0.000 1.265 973 I CB 0.907 38.870 38.000 -0.061 0.000 1.388 973 I HN 0.324 nan 8.210 nan 0.000 0.480 974 P HA -0.059 nan 4.420 nan 0.000 0.250 974 P C -0.367 176.979 177.300 0.077 0.000 1.198 974 P CA 0.517 63.705 63.100 0.146 0.000 1.118 974 P CB 0.344 32.186 31.700 0.237 0.000 1.208 975 Q N 1.741 121.576 119.800 0.058 0.000 2.860 975 Q HA 0.113 4.456 4.340 0.004 0.000 0.207 975 Q C 1.182 177.187 176.000 0.008 0.000 1.139 975 Q CA -0.536 55.279 55.803 0.018 0.000 0.661 975 Q CB 0.194 28.938 28.738 0.010 0.000 4.670 975 Q HN 0.168 nan 8.270 nan 0.000 0.380 976 I N -0.707 119.863 120.570 -0.001 0.000 2.270 976 I HA 0.070 4.242 4.170 0.004 0.000 0.239 976 I C 1.060 177.176 176.117 -0.003 0.000 1.080 976 I CA 1.555 62.843 61.300 -0.019 0.000 1.383 976 I CB -0.255 37.733 38.000 -0.020 0.000 1.097 976 I HN 0.544 nan 8.210 nan 0.000 0.420 977 G N 1.207 110.022 108.800 0.024 0.000 4.637 977 G HA2 0.235 4.198 3.960 0.004 0.000 0.308 977 G HA3 0.235 4.198 3.960 0.004 0.000 0.308 977 G C -0.938 174.010 174.900 0.081 0.000 1.377 977 G CA -0.315 44.809 45.100 0.041 0.000 1.176 977 G HN 0.135 nan 8.290 nan 0.000 0.601 978 D N 0.689 121.181 120.400 0.154 0.000 2.177 978 D HA 0.234 4.877 4.640 0.004 0.000 0.247 978 D C 0.179 176.692 176.300 0.355 0.000 1.063 978 D CA -0.148 53.986 54.000 0.223 0.000 0.867 978 D CB 1.998 42.974 40.800 0.292 0.000 1.168 978 D HN 0.088 nan 8.370 nan 0.000 0.445 979 K N 2.068 122.568 120.400 0.166 0.000 2.322 979 K HA 0.261 4.584 4.320 0.004 0.000 0.283 979 K C -0.878 175.810 176.600 0.146 0.000 1.042 979 K CA -0.097 56.304 56.287 0.189 0.000 0.958 979 K CB 0.357 32.922 32.500 0.108 0.000 0.984 979 K HN 0.175 nan 8.250 nan 0.000 0.473 980 F N 1.074 121.004 119.950 -0.034 0.000 2.661 980 F HA 0.729 5.258 4.527 0.004 0.000 0.347 980 F C -0.033 175.799 175.800 0.053 0.000 1.086 980 F CA -0.947 57.024 58.000 -0.047 0.000 1.016 980 F CB 1.807 40.722 39.000 -0.142 0.000 1.368 980 F HN 0.535 nan 8.300 nan 0.000 0.505 981 A N 0.016 122.999 122.820 0.272 0.000 2.604 981 A HA 0.625 4.948 4.320 0.004 0.000 0.295 981 A C -0.505 176.983 177.584 -0.160 0.000 1.067 981 A CA -0.180 51.936 52.037 0.131 0.000 0.683 981 A CB 1.186 20.218 19.000 0.052 0.000 1.281 981 A HN 0.892 nan 8.150 nan 0.000 0.407 982 S N 0.718 116.108 115.700 -0.516 0.000 2.546 982 S HA 0.413 4.886 4.470 0.004 0.000 0.265 982 S C 0.683 175.099 174.600 -0.306 0.000 1.190 982 S CA 0.033 57.728 58.200 -0.842 0.000 1.014 982 S CB 0.411 63.164 63.200 -0.745 0.000 1.087 982 S HN 0.689 nan 8.310 nan 0.000 0.525 983 R N -0.564 119.751 120.500 -0.309 0.000 2.391 983 R HA 0.267 4.610 4.340 0.004 0.000 0.249 983 R C -0.237 175.689 176.300 -0.623 0.000 0.957 983 R CA 0.155 56.017 56.100 -0.397 0.000 1.093 983 R CB -0.262 29.805 30.300 -0.387 0.000 1.156 983 R HN 0.706 nan 8.270 nan 0.000 0.526 984 H N -2.215 116.878 119.070 0.037 0.000 2.637 984 H HA 0.264 4.823 4.556 0.005 0.000 0.245 984 H C 0.948 176.323 175.328 0.078 0.000 1.190 984 H CA 0.242 56.336 56.048 0.078 0.000 0.934 984 H CB 1.428 31.265 29.762 0.125 0.000 1.950 984 H HN 0.257 nan 8.280 nan 0.000 0.614 985 G N 0.474 109.350 108.800 0.127 0.000 2.304 985 G HA2 -0.347 3.616 3.960 0.004 0.000 0.252 985 G HA3 -0.347 3.616 3.960 0.004 0.000 0.252 985 G C 0.551 175.473 174.900 0.036 0.000 1.014 985 G CA -0.244 44.918 45.100 0.103 0.000 0.619 985 G HN 0.315 nan 8.290 nan 0.000 0.525 986 Q N 1.653 121.495 119.800 0.070 0.000 2.348 986 Q HA 0.218 4.561 4.340 0.004 0.000 0.280 986 Q C 0.867 176.908 176.000 0.069 0.000 1.239 986 Q CA 1.233 57.069 55.803 0.055 0.000 0.967 986 Q CB -0.109 28.680 28.738 0.085 0.000 1.307 986 Q HN 0.876 nan 8.270 nan 0.000 0.441 987 K N 0.122 120.551 120.400 0.048 0.000 2.221 987 K HA 0.888 5.211 4.320 0.004 0.000 0.243 987 K C -0.089 176.562 176.600 0.085 0.000 0.968 987 K CA -0.981 55.351 56.287 0.075 0.000 0.846 987 K CB 1.932 34.451 32.500 0.032 0.000 1.141 987 K HN 0.361 nan 8.250 nan 0.000 0.434 988 G N 0.449 109.320 108.800 0.119 0.000 2.411 988 G HA2 0.314 4.277 3.960 0.004 0.000 0.295 988 G HA3 0.314 4.277 3.960 0.004 0.000 0.295 988 G C -1.051 173.916 174.900 0.111 0.000 1.542 988 G CA -0.687 44.467 45.100 0.091 0.000 0.814 988 G HN 0.787 nan 8.290 nan 0.000 0.557 989 T N -1.264 113.330 114.554 0.067 0.000 2.881 989 T HA 0.730 5.083 4.350 0.004 0.000 0.278 989 T C 0.615 175.300 174.700 -0.025 0.000 0.982 989 T CA -0.654 61.487 62.100 0.068 0.000 0.989 989 T CB 1.190 70.093 68.868 0.058 0.000 1.058 989 T HN 0.498 nan 8.240 nan 0.000 0.529 990 I N 0.923 121.446 120.570 -0.079 0.000 2.581 990 I HA 0.451 4.623 4.170 0.004 0.000 0.288 990 I C 1.408 177.479 176.117 -0.076 0.000 1.047 990 I CA -0.256 60.950 61.300 -0.157 0.000 1.374 990 I CB 1.175 39.042 38.000 -0.223 0.000 1.423 990 I HN 1.001 nan 8.210 nan 0.000 0.549 991 G N 5.492 114.246 108.800 -0.077 0.000 2.945 991 G HA2 0.393 4.356 3.960 0.004 0.000 0.225 991 G HA3 0.393 4.356 3.960 0.004 0.000 0.225 991 G C -0.187 174.662 174.900 -0.085 0.000 1.046 991 G CA 0.272 45.363 45.100 -0.014 0.000 0.842 991 G HN 0.385 nan 8.290 nan 0.000 0.543 992 I N 0.956 121.396 120.570 -0.218 0.000 2.800 992 I HA 0.359 4.532 4.170 0.004 0.000 0.294 992 I C -1.056 174.802 176.117 -0.431 0.000 1.538 992 I CA -0.519 60.536 61.300 -0.407 0.000 1.010 992 I CB 2.161 39.712 38.000 -0.749 0.000 1.381 992 I HN 0.038 nan 8.210 nan 0.000 0.462 993 T N 2.966 117.302 114.554 -0.364 0.000 2.771 993 T HA 0.678 5.031 4.350 0.004 0.000 0.281 993 T C -0.830 173.774 174.700 -0.160 0.000 0.982 993 T CA -0.463 61.493 62.100 -0.240 0.000 0.978 993 T CB 0.669 69.466 68.868 -0.119 0.000 0.930 993 T HN 0.372 nan 8.240 nan 0.000 0.447 994 Y N 0.919 121.188 120.300 -0.053 0.000 2.429 994 Y HA 0.534 5.086 4.550 0.004 0.000 0.342 994 Y C 1.039 176.921 175.900 -0.031 0.000 1.004 994 Y CA -1.664 56.418 58.100 -0.030 0.000 1.075 994 Y CB 2.192 40.662 38.460 0.017 0.000 1.214 994 Y HN 0.457 nan 8.280 nan 0.000 0.455 995 R N 0.964 121.544 120.500 0.133 0.000 2.577 995 R HA 0.175 4.517 4.340 0.004 0.000 0.269 995 R C 1.454 177.771 176.300 0.029 0.000 1.084 995 R CA -0.301 55.827 56.100 0.046 0.000 1.163 995 R CB 0.629 30.934 30.300 0.008 0.000 1.100 995 R HN 0.725 nan 8.270 nan 0.000 0.547 996 R N 1.241 121.744 120.500 0.004 0.000 2.153 996 R HA -0.277 4.066 4.340 0.004 0.000 0.252 996 R C 1.074 177.353 176.300 -0.035 0.000 1.158 996 R CA 2.447 58.542 56.100 -0.008 0.000 0.975 996 R CB 0.013 30.297 30.300 -0.027 0.000 0.871 996 R HN 0.656 nan 8.270 nan 0.000 0.450 997 E N 0.471 120.636 120.200 -0.059 0.000 2.017 997 E HA -0.183 4.170 4.350 0.004 0.000 0.193 997 E C 1.552 178.117 176.600 -0.058 0.000 0.997 997 E CA 1.863 58.209 56.400 -0.091 0.000 0.804 997 E CB -0.298 29.343 29.700 -0.100 0.000 0.757 997 E HN 0.474 nan 8.360 nan 0.000 0.448 998 D N -0.175 120.176 120.400 -0.081 0.000 2.310 998 D HA -0.034 4.609 4.640 0.004 0.000 0.212 998 D C 0.344 176.717 176.300 0.123 0.000 0.965 998 D CA 0.457 54.378 54.000 -0.131 0.000 0.879 998 D CB -0.077 40.510 40.800 -0.356 0.000 0.921 998 D HN 0.082 nan 8.370 nan 0.000 0.510 999 M N 1.254 120.921 119.600 0.112 0.000 2.245 999 M HA 0.177 4.660 4.480 0.004 0.000 0.330 999 M C -2.234 174.199 176.300 0.222 0.000 1.098 999 M CA -1.735 53.629 55.300 0.106 0.000 1.172 999 M CB 0.648 33.294 32.600 0.076 0.000 1.467 999 M HN -0.181 nan 8.290 nan 0.000 0.454 1000 P HA 0.308 nan 4.420 nan 0.000 0.274 1000 P C -1.515 175.968 177.300 0.306 0.000 1.256 1000 P CA -0.092 63.152 63.100 0.240 0.000 0.795 1000 P CB 0.321 32.045 31.700 0.040 0.000 1.038 1001 F N -3.785 116.189 119.950 0.040 0.000 2.665 1001 F HA 0.517 5.047 4.527 0.005 0.000 0.308 1001 F C -0.432 175.354 175.800 -0.024 0.000 1.112 1001 F CA -1.035 56.955 58.000 -0.018 0.000 0.972 1001 F CB 0.821 39.822 39.000 0.002 0.000 1.295 1001 F HN 0.230 nan 8.300 nan 0.000 0.440 1002 T N 0.616 115.133 114.554 -0.062 0.000 2.754 1002 T HA 0.510 4.863 4.350 0.004 0.000 0.286 1002 T C 1.232 175.958 174.700 0.044 0.000 0.997 1002 T CA 0.271 62.310 62.100 -0.102 0.000 0.982 1002 T CB 1.207 69.972 68.868 -0.173 0.000 1.027 1002 T HN 0.997 nan 8.240 nan 0.000 0.529 1003 A N 1.100 123.946 122.820 0.044 0.000 2.066 1003 A HA 0.054 4.377 4.320 0.004 0.000 0.218 1003 A C 1.844 179.446 177.584 0.030 0.000 1.157 1003 A CA 1.260 53.307 52.037 0.016 0.000 0.670 1003 A CB -0.515 18.527 19.000 0.071 0.000 0.804 1003 A HN 0.932 nan 8.150 nan 0.000 0.453 1004 E N -1.190 119.042 120.200 0.053 0.000 2.502 1004 E HA 0.254 4.607 4.350 0.004 0.000 0.194 1004 E C 1.115 177.760 176.600 0.076 0.000 1.062 1004 E CA 0.286 56.722 56.400 0.060 0.000 0.867 1004 E CB -0.112 29.640 29.700 0.088 0.000 0.888 1004 E HN 0.693 nan 8.360 nan 0.000 0.510 1005 G N 1.369 110.238 108.800 0.115 0.000 2.143 1005 G HA2 -0.238 3.724 3.960 0.004 0.000 0.249 1005 G HA3 -0.238 3.724 3.960 0.004 0.000 0.249 1005 G C 0.325 175.296 174.900 0.119 0.000 0.981 1005 G CA -0.029 45.140 45.100 0.115 0.000 0.665 1005 G HN 0.163 nan 8.290 nan 0.000 0.528 1006 I N -0.037 120.625 120.570 0.154 0.000 2.882 1006 I HA 0.562 4.735 4.170 0.004 0.000 0.286 1006 I C 0.884 177.148 176.117 0.245 0.000 1.139 1006 I CA -0.585 60.839 61.300 0.207 0.000 1.379 1006 I CB 0.934 39.133 38.000 0.332 0.000 1.410 1006 I HN -0.084 nan 8.210 nan 0.000 0.594 1007 V N 4.622 124.706 119.914 0.283 0.000 2.925 1007 V HA 0.438 4.561 4.120 0.004 0.000 0.311 1007 V C -2.390 173.891 176.094 0.312 0.000 1.104 1007 V CA -1.328 61.131 62.300 0.265 0.000 0.954 1007 V CB 2.804 34.709 31.823 0.136 0.000 1.022 1007 V HN 0.697 nan 8.190 nan 0.000 0.427 1008 P HA 0.350 nan 4.420 nan 0.000 0.288 1008 P C -0.366 176.948 177.300 0.024 0.000 1.267 1008 P CA -0.259 62.925 63.100 0.142 0.000 0.815 1008 P CB 1.323 33.140 31.700 0.195 0.000 0.989 1009 D N 0.861 121.235 120.400 -0.044 0.000 2.312 1009 D HA 0.028 4.671 4.640 0.004 0.000 0.211 1009 D C 0.235 176.483 176.300 -0.087 0.000 0.964 1009 D CA 1.373 55.343 54.000 -0.049 0.000 0.877 1009 D CB 0.147 40.918 40.800 -0.048 0.000 0.924 1009 D HN 0.163 nan 8.370 nan 0.000 0.515 1010 L N 0.552 121.707 121.223 -0.114 0.000 2.639 1010 L HA 0.329 4.671 4.340 0.004 0.000 0.264 1010 L C -1.479 175.318 176.870 -0.121 0.000 0.948 1010 L CA -0.249 54.484 54.840 -0.178 0.000 0.912 1010 L CB 2.034 43.906 42.059 -0.312 0.000 1.294 1010 L HN -0.256 nan 8.230 nan 0.000 0.412 1011 I N 5.808 126.322 120.570 -0.094 0.000 2.330 1011 I HA 0.536 4.708 4.170 0.004 0.000 0.289 1011 I C -0.350 175.759 176.117 -0.013 0.000 1.001 1011 I CA -0.534 60.751 61.300 -0.026 0.000 1.193 1011 I CB 1.265 39.255 38.000 -0.016 0.000 1.345 1011 I HN 0.484 nan 8.210 nan 0.000 0.461 1012 I N 3.227 123.816 120.570 0.031 0.000 2.740 1012 I HA 0.542 4.714 4.170 0.004 0.000 0.303 1012 I C -0.325 175.831 176.117 0.066 0.000 1.044 1012 I CA -0.663 60.667 61.300 0.050 0.000 1.064 1012 I CB 1.448 39.500 38.000 0.086 0.000 1.249 1012 I HN 0.378 nan 8.210 nan 0.000 0.433 1013 N N 4.586 123.319 118.700 0.055 0.000 2.488 1013 N HA 0.301 5.043 4.740 0.004 0.000 0.274 1013 N C -1.784 173.724 175.510 -0.004 0.000 1.111 1013 N CA -1.676 51.395 53.050 0.036 0.000 0.974 1013 N CB 1.580 40.107 38.487 0.067 0.000 1.089 1013 N HN 0.537 nan 8.380 nan 0.000 0.465 1014 P HA -0.071 nan 4.420 nan 0.000 0.239 1014 P C 0.493 177.727 177.300 -0.110 0.000 1.184 1014 P CA 0.830 63.873 63.100 -0.095 0.000 0.760 1014 P CB 0.193 31.819 31.700 -0.124 0.000 0.884 1015 H N 0.520 119.595 119.070 0.007 0.000 2.502 1015 H HA 0.195 4.753 4.556 0.004 0.000 0.283 1015 H C 1.277 176.593 175.328 -0.020 0.000 1.015 1015 H CA 0.694 56.739 56.048 -0.005 0.000 1.298 1015 H CB -0.214 29.548 29.762 -0.001 0.000 1.411 1015 H HN 0.122 nan 8.280 nan 0.000 0.556 1016 A N 1.091 123.961 122.820 0.083 0.000 3.105 1016 A HA 0.242 4.564 4.320 0.004 0.000 0.272 1016 A C 1.069 178.634 177.584 -0.032 0.000 1.466 1016 A CA -0.067 51.983 52.037 0.021 0.000 1.101 1016 A CB -0.612 18.394 19.000 0.011 0.000 1.065 1016 A HN 0.147 nan 8.150 nan 0.000 0.643 1017 I N -0.843 119.713 120.570 -0.024 0.000 3.650 1017 I HA 0.100 4.273 4.170 0.004 0.000 0.261 1017 I C -1.146 174.948 176.117 -0.038 0.000 1.154 1017 I CA 0.216 61.477 61.300 -0.064 0.000 1.418 1017 I CB -1.557 36.392 38.000 -0.086 0.000 1.539 1017 I HN 0.100 nan 8.210 nan 0.000 0.449 1018 P HA 0.011 nan 4.420 nan 0.000 0.227 1018 P C 1.461 178.760 177.300 -0.002 0.000 1.161 1018 P CA 1.031 64.127 63.100 -0.006 0.000 0.788 1018 P CB -0.019 31.688 31.700 0.011 0.000 0.822 1019 S N -0.528 115.173 115.700 0.001 0.000 2.558 1019 S HA 0.055 4.528 4.470 0.004 0.000 0.217 1019 S C 1.444 176.043 174.600 -0.002 0.000 0.975 1019 S CA -0.111 58.088 58.200 -0.001 0.000 0.912 1019 S CB -0.525 62.672 63.200 -0.005 0.000 0.776 1019 S HN 0.143 nan 8.310 nan 0.000 0.526 1020 R N 0.423 120.919 120.500 -0.005 0.000 2.531 1020 R HA 0.411 4.754 4.340 0.004 0.000 0.316 1020 R C 0.171 176.476 176.300 0.010 0.000 0.955 1020 R CA -0.029 56.074 56.100 0.005 0.000 1.120 1020 R CB -1.065 29.232 30.300 -0.005 0.000 1.361 1020 R HN 0.411 nan 8.270 nan 0.000 0.534 1021 M N 1.864 121.461 119.600 -0.005 0.000 2.210 1021 M HA -0.173 4.310 4.480 0.004 0.000 0.198 1021 M C 0.094 176.388 176.300 -0.011 0.000 0.319 1021 M CA 1.430 56.725 55.300 -0.010 0.000 0.399 1021 M CB -1.709 30.893 32.600 0.004 0.000 1.227 1021 M HN 0.179 nan 8.290 nan 0.000 0.931 1022 T N -0.287 114.250 114.554 -0.027 0.000 3.182 1022 T HA 0.355 4.708 4.350 0.004 0.000 0.274 1022 T C 0.956 175.599 174.700 -0.095 0.000 0.997 1022 T CA -0.162 61.916 62.100 -0.036 0.000 1.082 1022 T CB 0.114 68.968 68.868 -0.023 0.000 1.005 1022 T HN 0.296 nan 8.240 nan 0.000 0.688 1023 V N 4.468 124.336 119.914 -0.077 0.000 3.235 1023 V HA 0.105 4.228 4.120 0.004 0.000 0.259 1023 V C 2.568 178.557 176.094 -0.175 0.000 1.133 1023 V CA 1.226 63.463 62.300 -0.104 0.000 1.128 1023 V CB -0.713 31.081 31.823 -0.048 0.000 0.757 1023 V HN 0.900 nan 8.190 nan 0.000 0.469 1024 A N -0.014 122.680 122.820 -0.210 0.000 1.865 1024 A HA -0.306 4.016 4.320 0.004 0.000 0.217 1024 A C 2.210 179.518 177.584 -0.461 0.000 1.191 1024 A CA 2.089 53.942 52.037 -0.306 0.000 0.623 1024 A CB -0.980 17.899 19.000 -0.201 0.000 0.826 1024 A HN 0.630 nan 8.150 nan 0.000 0.444 1025 H N 0.577 119.052 119.070 -0.991 0.000 2.325 1025 H HA -0.178 4.381 4.556 0.004 0.000 0.293 1025 H C 1.825 177.083 175.328 -0.117 0.000 1.106 1025 H CA 2.321 58.076 56.048 -0.489 0.000 1.247 1025 H CB -0.426 29.182 29.762 -0.257 0.000 1.359 1025 H HN 0.429 nan 8.280 nan 0.000 0.488 1026 L N -0.103 121.172 121.223 0.087 0.000 2.201 1026 L HA -0.138 4.204 4.340 0.004 0.000 0.212 1026 L C 2.836 179.691 176.870 -0.025 0.000 1.105 1026 L CA 0.832 55.680 54.840 0.014 0.000 0.775 1026 L CB -0.320 41.595 42.059 -0.239 0.000 0.913 1026 L HN 0.220 nan 8.230 nan 0.000 0.440 1027 I N 0.064 120.535 120.570 -0.166 0.000 2.206 1027 I HA -0.245 3.927 4.170 0.004 0.000 0.239 1027 I C 2.633 178.684 176.117 -0.108 0.000 1.078 1027 I CA 1.202 62.337 61.300 -0.274 0.000 1.367 1027 I CB -0.384 37.192 38.000 -0.708 0.000 1.078 1027 I HN 0.270 nan 8.210 nan 0.000 0.413 1028 E N 0.957 121.159 120.200 0.002 0.000 2.113 1028 E HA -0.382 3.970 4.350 0.004 0.000 0.210 1028 E C 2.325 178.962 176.600 0.061 0.000 1.040 1028 E CA 2.551 59.033 56.400 0.136 0.000 0.847 1028 E CB -0.521 29.294 29.700 0.191 0.000 0.755 1028 E HN 0.551 nan 8.360 nan 0.000 0.459 1029 C N -0.203 119.131 119.300 0.056 0.000 2.388 1029 C HA -0.176 4.287 4.460 0.004 0.000 0.277 1029 C C 2.740 177.712 174.990 -0.031 0.000 1.210 1029 C CA 1.323 60.356 59.018 0.024 0.000 1.743 1029 C CB -1.306 26.541 27.740 0.179 0.000 2.047 1029 C HN 0.702 nan 8.230 nan 0.000 0.458 1030 L N 0.133 121.394 121.223 0.062 0.000 2.083 1030 L HA -0.054 4.289 4.340 0.004 0.000 0.209 1030 L C 2.189 179.035 176.870 -0.040 0.000 1.083 1030 L CA 1.570 56.414 54.840 0.006 0.000 0.752 1030 L CB -0.694 41.416 42.059 0.085 0.000 0.899 1030 L HN 0.425 nan 8.230 nan 0.000 0.433 1031 L N -1.265 119.952 121.223 -0.010 0.000 1.961 1031 L HA -0.196 4.146 4.340 0.004 0.000 0.210 1031 L C 2.569 179.422 176.870 -0.028 0.000 1.072 1031 L CA 2.102 56.949 54.840 0.011 0.000 0.749 1031 L CB -1.003 41.130 42.059 0.124 0.000 0.889 1031 L HN 0.220 nan 8.230 nan 0.000 0.432 1032 S N -0.470 115.217 115.700 -0.022 0.000 2.392 1032 S HA -0.299 4.174 4.470 0.004 0.000 0.232 1032 S C 1.979 176.525 174.600 -0.090 0.000 1.041 1032 S CA 1.769 59.942 58.200 -0.045 0.000 1.026 1032 S CB -0.407 62.777 63.200 -0.026 0.000 0.845 1032 S HN 0.410 nan 8.310 nan 0.000 0.465 1033 K N 0.768 121.089 120.400 -0.132 0.000 1.991 1033 K HA -0.125 4.198 4.320 0.004 0.000 0.212 1033 K C 1.898 178.387 176.600 -0.184 0.000 1.049 1033 K CA 1.785 57.959 56.287 -0.189 0.000 0.932 1033 K CB -0.289 32.060 32.500 -0.253 0.000 0.717 1033 K HN 0.238 nan 8.250 nan 0.000 0.441 1034 V N 1.130 120.936 119.914 -0.180 0.000 2.626 1034 V HA -0.192 3.931 4.120 0.004 0.000 0.252 1034 V C 2.367 178.353 176.094 -0.179 0.000 1.067 1034 V CA 1.627 63.788 62.300 -0.233 0.000 1.081 1034 V CB -0.760 30.934 31.823 -0.215 0.000 0.686 1034 V HN 0.441 nan 8.190 nan 0.000 0.468 1035 A N 0.841 123.595 122.820 -0.110 0.000 1.851 1035 A HA -0.193 4.130 4.320 0.004 0.000 0.216 1035 A C 2.483 180.030 177.584 -0.061 0.000 1.195 1035 A CA 2.443 54.436 52.037 -0.074 0.000 0.622 1035 A CB -1.060 17.906 19.000 -0.056 0.000 0.831 1035 A HN 0.595 nan 8.150 nan 0.000 0.444 1036 A N -0.945 121.835 122.820 -0.067 0.000 1.978 1036 A HA -0.018 4.304 4.320 0.004 0.000 0.220 1036 A C 2.217 179.790 177.584 -0.018 0.000 1.170 1036 A CA 1.598 53.608 52.037 -0.046 0.000 0.636 1036 A CB -0.499 18.464 19.000 -0.062 0.000 0.810 1036 A HN 0.488 nan 8.150 nan 0.000 0.448 1037 L N -0.335 120.871 121.223 -0.028 0.000 2.084 1037 L HA -0.094 4.249 4.340 0.004 0.000 0.202 1037 L C 2.941 179.916 176.870 0.176 0.000 1.074 1037 L CA 1.493 56.381 54.840 0.079 0.000 0.757 1037 L CB -0.291 41.832 42.059 0.105 0.000 0.918 1037 L HN 0.565 nan 8.230 nan 0.000 0.444 1038 S N -0.515 115.245 115.700 0.100 0.000 2.522 1038 S HA 0.053 4.525 4.470 0.004 0.000 0.227 1038 S C 1.407 176.057 174.600 0.082 0.000 0.986 1038 S CA 0.414 58.718 58.200 0.173 0.000 0.929 1038 S CB 0.027 63.257 63.200 0.049 0.000 0.769 1038 S HN 0.536 nan 8.310 nan 0.000 0.529 1039 G N 1.538 110.360 108.800 0.037 0.000 2.256 1039 G HA2 -0.206 3.756 3.960 0.004 0.000 0.272 1039 G HA3 -0.206 3.756 3.960 0.004 0.000 0.272 1039 G C -0.212 174.690 174.900 0.003 0.000 1.076 1039 G CA 0.095 45.206 45.100 0.018 0.000 0.882 1039 G HN 0.553 nan 8.290 nan 0.000 0.497 1040 N N -0.668 118.025 118.700 -0.011 0.000 2.815 1040 N HA 0.511 5.253 4.740 0.004 0.000 0.315 1040 N C -0.270 175.218 175.510 -0.036 0.000 1.320 1040 N CA -0.710 52.328 53.050 -0.021 0.000 0.846 1040 N CB 1.302 39.778 38.487 -0.019 0.000 1.344 1040 N HN 0.367 nan 8.380 nan 0.000 0.593 1041 E N -0.643 119.529 120.200 -0.046 0.000 2.216 1041 E HA 0.423 4.775 4.350 0.004 0.000 0.279 1041 E C -0.221 176.339 176.600 -0.067 0.000 0.997 1041 E CA -0.682 55.680 56.400 -0.064 0.000 0.817 1041 E CB 0.903 30.555 29.700 -0.081 0.000 1.096 1041 E HN 0.609 nan 8.360 nan 0.000 0.393 1042 G N 3.041 111.797 108.800 -0.073 0.000 2.358 1042 G HA2 0.049 4.012 3.960 0.004 0.000 0.273 1042 G HA3 0.049 4.012 3.960 0.004 0.000 0.273 1042 G C -0.540 174.294 174.900 -0.108 0.000 1.215 1042 G CA -0.350 44.711 45.100 -0.064 0.000 0.910 1042 G HN 0.526 nan 8.290 nan 0.000 0.467 1043 D N 1.995 122.339 120.400 -0.093 0.000 2.468 1043 D HA 0.400 5.043 4.640 0.004 0.000 0.218 1043 D C 0.916 177.049 176.300 -0.277 0.000 1.155 1043 D CA -0.313 53.596 54.000 -0.152 0.000 0.924 1043 D CB 0.722 41.470 40.800 -0.086 0.000 1.029 1043 D HN 0.332 nan 8.370 nan 0.000 0.515 1044 A N 2.664 125.215 122.820 -0.448 0.000 2.577 1044 A HA 0.224 4.547 4.320 0.004 0.000 0.280 1044 A C 0.719 177.846 177.584 -0.763 0.000 1.331 1044 A CA -0.453 51.020 52.037 -0.939 0.000 0.935 1044 A CB -0.061 18.519 19.000 -0.701 0.000 1.082 1044 A HN 0.368 nan 8.150 nan 0.000 0.525 1045 S N 1.801 117.239 115.700 -0.436 0.000 2.549 1045 S HA 0.161 4.633 4.470 0.004 0.000 0.286 1045 S C -1.537 172.943 174.600 -0.200 0.000 1.314 1045 S CA -0.466 57.600 58.200 -0.224 0.000 1.062 1045 S CB 0.778 63.944 63.200 -0.057 0.000 0.865 1045 S HN 0.287 nan 8.310 nan 0.000 0.498 1046 P HA -0.025 nan 4.420 nan 0.000 0.216 1046 P C -0.280 176.658 177.300 -0.604 0.000 1.150 1046 P CA 1.129 63.948 63.100 -0.470 0.000 0.837 1046 P CB 0.115 31.400 31.700 -0.692 0.000 0.786 1047 F N -0.402 119.675 119.950 0.211 0.000 2.500 1047 F HA 0.417 4.947 4.527 0.005 0.000 0.349 1047 F C 0.458 176.385 175.800 0.212 0.000 1.127 1047 F CA -0.533 57.575 58.000 0.181 0.000 0.998 1047 F CB 1.137 40.199 39.000 0.103 0.000 1.237 1047 F HN -0.246 nan 8.300 nan 0.000 0.439 1048 T N -2.148 112.599 114.554 0.321 0.000 2.731 1048 T HA 0.309 4.661 4.350 0.004 0.000 0.300 1048 T C -1.054 173.783 174.700 0.229 0.000 1.283 1048 T CA -1.008 61.251 62.100 0.265 0.000 1.005 1048 T CB 2.008 71.008 68.868 0.220 0.000 1.420 1048 T HN 0.170 nan 8.240 nan 0.000 0.503 1049 D N 0.841 121.354 120.400 0.188 0.000 3.139 1049 D HA 0.449 5.091 4.640 0.004 0.000 0.268 1049 D C -0.691 175.700 176.300 0.152 0.000 1.322 1049 D CA 0.018 54.113 54.000 0.157 0.000 0.940 1049 D CB -0.150 40.726 40.800 0.126 0.000 1.050 1049 D HN 0.395 nan 8.370 nan 0.000 0.503 1050 I N 0.753 121.440 120.570 0.194 0.000 2.406 1050 I HA 0.218 4.391 4.170 0.004 0.000 0.290 1050 I C -0.017 176.195 176.117 0.159 0.000 0.999 1050 I CA -0.327 61.084 61.300 0.186 0.000 1.124 1050 I CB 1.998 40.150 38.000 0.254 0.000 1.289 1050 I HN -0.095 nan 8.210 nan 0.000 0.441 1051 T N 2.100 116.703 114.554 0.082 0.000 2.893 1051 T HA 0.294 4.647 4.350 0.004 0.000 0.293 1051 T C 0.874 175.559 174.700 -0.026 0.000 1.027 1051 T CA -0.781 61.339 62.100 0.034 0.000 0.988 1051 T CB 1.868 70.771 68.868 0.058 0.000 1.043 1051 T HN 0.160 nan 8.240 nan 0.000 0.461 1052 V N 1.238 121.105 119.914 -0.078 0.000 2.527 1052 V HA -0.176 3.947 4.120 0.004 0.000 0.255 1052 V C 2.602 178.683 176.094 -0.021 0.000 1.081 1052 V CA 1.748 63.998 62.300 -0.083 0.000 1.092 1052 V CB -0.842 30.922 31.823 -0.098 0.000 0.673 1052 V HN 0.861 nan 8.190 nan 0.000 0.470 1053 E N 0.747 120.949 120.200 0.003 0.000 2.072 1053 E HA -0.102 4.251 4.350 0.004 0.000 0.190 1053 E C 2.388 179.005 176.600 0.028 0.000 0.982 1053 E CA 1.452 57.865 56.400 0.022 0.000 0.803 1053 E CB -0.492 29.226 29.700 0.031 0.000 0.755 1053 E HN 0.629 nan 8.360 nan 0.000 0.453 1054 G N 0.723 109.541 108.800 0.030 0.000 2.511 1054 G HA2 -0.110 3.853 3.960 0.004 0.000 0.217 1054 G HA3 -0.110 3.853 3.960 0.004 0.000 0.217 1054 G C 1.507 176.424 174.900 0.027 0.000 1.133 1054 G CA -0.005 45.116 45.100 0.036 0.000 0.792 1054 G HN 0.093 nan 8.290 nan 0.000 0.539 1055 I N 1.274 121.852 120.570 0.013 0.000 2.333 1055 I HA -0.013 4.159 4.170 0.004 0.000 0.246 1055 I C 2.721 178.841 176.117 0.004 0.000 1.106 1055 I CA 0.827 62.127 61.300 -0.000 0.000 1.411 1055 I CB -0.938 37.050 38.000 -0.020 0.000 1.082 1055 I HN 0.060 nan 8.210 nan 0.000 0.420 1056 S N 0.644 116.353 115.700 0.016 0.000 2.399 1056 S HA -0.173 4.299 4.470 0.004 0.000 0.231 1056 S C 1.950 176.580 174.600 0.051 0.000 1.022 1056 S CA 1.164 59.387 58.200 0.038 0.000 0.983 1056 S CB -0.139 63.089 63.200 0.046 0.000 0.803 1056 S HN 0.372 nan 8.310 nan 0.000 0.480 1057 K N 0.615 121.043 120.400 0.046 0.000 2.148 1057 K HA 0.062 4.385 4.320 0.004 0.000 0.204 1057 K C 1.795 178.432 176.600 0.062 0.000 1.050 1057 K CA 0.776 57.096 56.287 0.054 0.000 0.942 1057 K CB -0.133 32.396 32.500 0.049 0.000 0.724 1057 K HN 0.300 nan 8.250 nan 0.000 0.446 1058 L N 0.064 121.314 121.223 0.044 0.000 2.095 1058 L HA -0.113 4.230 4.340 0.004 0.000 0.204 1058 L C 2.119 179.015 176.870 0.042 0.000 1.080 1058 L CA 0.323 55.185 54.840 0.038 0.000 0.759 1058 L CB -0.204 41.847 42.059 -0.012 0.000 0.914 1058 L HN 0.161 nan 8.230 nan 0.000 0.439 1059 L N -0.062 121.177 121.223 0.025 0.000 2.275 1059 L HA -0.129 4.214 4.340 0.004 0.000 0.215 1059 L C 2.513 179.487 176.870 0.173 0.000 1.119 1059 L CA 1.447 56.321 54.840 0.056 0.000 0.790 1059 L CB -0.501 41.570 42.059 0.019 0.000 0.919 1059 L HN 0.070 nan 8.230 nan 0.000 0.443 1060 R N 0.191 120.776 120.500 0.142 0.000 2.075 1060 R HA -0.069 4.274 4.340 0.004 0.000 0.226 1060 R C 2.048 178.440 176.300 0.152 0.000 1.114 1060 R CA 1.533 57.719 56.100 0.145 0.000 0.972 1060 R CB -0.314 30.049 30.300 0.105 0.000 0.869 1060 R HN 0.509 nan 8.270 nan 0.000 0.437 1061 E N -0.781 119.512 120.200 0.155 0.000 2.267 1061 E HA -0.196 4.156 4.350 0.004 0.000 0.197 1061 E C 0.913 177.618 176.600 0.175 0.000 0.998 1061 E CA 0.921 57.410 56.400 0.149 0.000 0.830 1061 E CB -0.125 29.669 29.700 0.157 0.000 0.751 1061 E HN 0.553 nan 8.360 nan 0.000 0.491 1062 H N -1.295 117.837 119.070 0.103 0.000 2.519 1062 H HA 0.126 4.685 4.556 0.004 0.000 0.289 1062 H C 1.190 176.646 175.328 0.214 0.000 1.040 1062 H CA 0.334 56.468 56.048 0.144 0.000 1.165 1062 H CB 0.938 30.791 29.762 0.152 0.000 1.462 1062 H HN 0.354 nan 8.280 nan 0.000 0.555 1063 G N 0.581 109.511 108.800 0.216 0.000 2.420 1063 G HA2 -0.291 3.672 3.960 0.004 0.000 0.221 1063 G HA3 -0.291 3.672 3.960 0.004 0.000 0.221 1063 G C -0.131 174.785 174.900 0.027 0.000 1.117 1063 G CA -0.044 45.096 45.100 0.066 0.000 0.657 1063 G HN 0.290 nan 8.290 nan 0.000 0.512 1064 Y N 1.981 122.339 120.300 0.096 0.000 2.295 1064 Y HA 0.558 5.111 4.550 0.004 0.000 0.331 1064 Y C 0.955 176.908 175.900 0.088 0.000 1.311 1064 Y CA -0.078 58.074 58.100 0.087 0.000 1.430 1064 Y CB 0.304 38.816 38.460 0.086 0.000 1.339 1064 Y HN 0.594 nan 8.280 nan 0.000 0.552 1065 Q N -0.627 119.332 119.800 0.265 0.000 2.230 1065 Q HA 0.363 4.706 4.340 0.004 0.000 0.248 1065 Q C 0.394 176.520 176.000 0.209 0.000 0.915 1065 Q CA -0.116 55.808 55.803 0.202 0.000 0.900 1065 Q CB 1.479 30.329 28.738 0.187 0.000 1.229 1065 Q HN 0.626 nan 8.270 nan 0.000 0.439 1066 S N 1.814 117.619 115.700 0.174 0.000 2.489 1066 S HA 0.066 4.539 4.470 0.004 0.000 0.228 1066 S C 0.757 175.434 174.600 0.128 0.000 0.995 1066 S CA -0.026 58.255 58.200 0.135 0.000 0.934 1066 S CB 0.037 63.302 63.200 0.108 0.000 0.771 1066 S HN 0.619 nan 8.310 nan 0.000 0.522 1067 R N 0.887 121.494 120.500 0.177 0.000 2.609 1067 R HA 0.370 4.712 4.340 0.004 0.000 0.326 1067 R C 1.296 177.670 176.300 0.123 0.000 1.090 1067 R CA 0.304 56.493 56.100 0.148 0.000 1.072 1067 R CB -0.471 29.952 30.300 0.204 0.000 1.330 1067 R HN 0.552 nan 8.270 nan 0.000 0.572 1068 G N 0.998 109.867 108.800 0.115 0.000 2.189 1068 G HA2 -0.317 3.645 3.960 0.004 0.000 0.267 1068 G HA3 -0.317 3.645 3.960 0.004 0.000 0.267 1068 G C 0.122 174.999 174.900 -0.038 0.000 0.975 1068 G CA 0.027 45.108 45.100 -0.031 0.000 0.644 1068 G HN 0.321 nan 8.290 nan 0.000 0.537 1069 F N 0.908 120.995 119.950 0.229 0.000 2.410 1069 F HA 0.582 5.112 4.527 0.004 0.000 0.334 1069 F C 1.049 176.929 175.800 0.133 0.000 1.134 1069 F CA 0.182 58.293 58.000 0.185 0.000 1.227 1069 F CB 0.737 39.824 39.000 0.146 0.000 1.194 1069 F HN 0.107 nan 8.300 nan 0.000 0.571 1070 E N 0.403 120.782 120.200 0.298 0.000 2.335 1070 E HA 0.294 4.646 4.350 0.004 0.000 0.280 1070 E C -1.593 175.034 176.600 0.046 0.000 0.918 1070 E CA -0.865 55.624 56.400 0.148 0.000 0.765 1070 E CB 2.515 32.268 29.700 0.089 0.000 1.218 1070 E HN 0.185 nan 8.360 nan 0.000 0.425 1071 V N 3.508 123.419 119.914 -0.004 0.000 2.446 1071 V HA 0.175 4.297 4.120 0.004 0.000 0.276 1071 V C 0.219 176.226 176.094 -0.145 0.000 1.030 1071 V CA 0.483 62.725 62.300 -0.096 0.000 1.033 1071 V CB -0.055 31.694 31.823 -0.124 0.000 0.993 1071 V HN 0.631 nan 8.190 nan 0.000 0.477 1072 M N 4.553 124.027 119.600 -0.211 0.000 2.578 1072 M HA 0.576 5.059 4.480 0.004 0.000 0.321 1072 M C -1.379 174.701 176.300 -0.366 0.000 1.182 1072 M CA -0.607 54.561 55.300 -0.221 0.000 0.965 1072 M CB 2.438 34.929 32.600 -0.182 0.000 1.694 1072 M HN 0.529 nan 8.290 nan 0.000 0.461 1073 Y N 0.579 120.515 120.300 -0.607 0.000 2.409 1073 Y HA 0.335 4.887 4.550 0.004 0.000 0.339 1073 Y C 0.346 176.048 175.900 -0.331 0.000 1.033 1073 Y CA -1.265 56.485 58.100 -0.582 0.000 1.094 1073 Y CB 0.680 38.578 38.460 -0.938 0.000 1.210 1073 Y HN 0.572 nan 8.280 nan 0.000 0.456 1074 N N 0.869 119.623 118.700 0.091 0.000 2.453 1074 N HA -0.004 4.739 4.740 0.004 0.000 0.253 1074 N C 0.990 176.763 175.510 0.438 0.000 1.252 1074 N CA 0.823 54.017 53.050 0.239 0.000 0.917 1074 N CB 1.509 40.050 38.487 0.090 0.000 1.117 1074 N HN 0.979 nan 8.380 nan 0.000 0.442 1075 G N 1.685 110.816 108.800 0.551 0.000 2.404 1075 G HA2 -0.194 3.769 3.960 0.004 0.000 0.213 1075 G HA3 -0.194 3.769 3.960 0.004 0.000 0.213 1075 G C 1.000 176.136 174.900 0.394 0.000 1.189 1075 G CA 0.608 46.025 45.100 0.528 0.000 0.796 1075 G HN 0.732 nan 8.290 nan 0.000 0.532 1076 H N 0.270 119.406 119.070 0.109 0.000 2.352 1076 H HA 0.013 4.572 4.556 0.005 0.000 0.299 1076 H C 2.591 177.955 175.328 0.060 0.000 1.097 1076 H CA 1.829 57.903 56.048 0.043 0.000 1.311 1076 H CB -0.646 29.114 29.762 -0.004 0.000 1.377 1076 H HN 0.314 nan 8.280 nan 0.000 0.504 1077 T N -2.518 112.175 114.554 0.230 0.000 3.056 1077 T HA 0.312 4.665 4.350 0.004 0.000 0.241 1077 T C 1.705 176.509 174.700 0.174 0.000 1.006 1077 T CA 0.850 63.040 62.100 0.150 0.000 1.115 1077 T CB 0.234 69.155 68.868 0.088 0.000 0.939 1077 T HN 0.609 nan 8.240 nan 0.000 0.462 1078 G N 1.824 110.772 108.800 0.246 0.000 2.175 1078 G HA2 -0.232 3.730 3.960 0.004 0.000 0.244 1078 G HA3 -0.232 3.730 3.960 0.004 0.000 0.244 1078 G C 0.144 175.201 174.900 0.263 0.000 0.982 1078 G CA 0.117 45.407 45.100 0.316 0.000 0.641 1078 G HN 0.508 nan 8.290 nan 0.000 0.527 1079 K N 1.439 121.926 120.400 0.145 0.000 2.402 1079 K HA 0.338 4.660 4.320 0.004 0.000 0.285 1079 K C 0.850 177.435 176.600 -0.025 0.000 1.054 1079 K CA -0.296 56.028 56.287 0.062 0.000 1.001 1079 K CB 0.194 32.704 32.500 0.016 0.000 0.946 1079 K HN 0.262 nan 8.250 nan 0.000 0.473 1080 K N 3.316 123.627 120.400 -0.149 0.000 2.543 1080 K HA -0.119 4.204 4.320 0.004 0.000 0.279 1080 K C -0.113 176.314 176.600 -0.288 0.000 1.001 1080 K CA 0.291 56.293 56.287 -0.476 0.000 1.088 1080 K CB 0.267 32.465 32.500 -0.503 0.000 0.863 1080 K HN 0.520 nan 8.250 nan 0.000 0.488 1081 L N 5.038 126.075 121.223 -0.309 0.000 2.418 1081 L HA -0.054 4.289 4.340 0.004 0.000 0.274 1081 L C 1.713 178.493 176.870 -0.151 0.000 1.135 1081 L CA -0.322 54.417 54.840 -0.167 0.000 0.870 1081 L CB 0.679 42.674 42.059 -0.106 0.000 1.154 1081 L HN 0.787 nan 8.230 nan 0.000 0.462 1082 M N 2.843 122.379 119.600 -0.107 0.000 2.082 1082 M HA -0.111 4.371 4.480 0.004 0.000 0.258 1082 M C 0.869 177.116 176.300 -0.089 0.000 1.069 1082 M CA 1.368 56.611 55.300 -0.094 0.000 1.102 1082 M CB -0.675 31.882 32.600 -0.071 0.000 1.336 1082 M HN 0.652 nan 8.290 nan 0.000 0.404 1083 A N 0.620 123.400 122.820 -0.067 0.000 2.306 1083 A HA 0.480 4.803 4.320 0.004 0.000 0.314 1083 A C -0.258 177.301 177.584 -0.041 0.000 1.164 1083 A CA -0.645 51.357 52.037 -0.060 0.000 0.822 1083 A CB 0.455 19.438 19.000 -0.028 0.000 1.130 1083 A HN 0.435 nan 8.150 nan 0.000 0.496 1084 Q N 0.392 120.159 119.800 -0.055 0.000 2.312 1084 Q HA 0.648 4.990 4.340 0.004 0.000 0.236 1084 Q C -0.759 175.380 176.000 0.230 0.000 0.965 1084 Q CA 0.309 56.131 55.803 0.032 0.000 0.894 1084 Q CB 0.815 29.558 28.738 0.009 0.000 1.225 1084 Q HN 0.624 nan 8.270 nan 0.000 0.478 1085 I N 0.580 121.328 120.570 0.297 0.000 2.603 1085 I HA 0.312 4.485 4.170 0.004 0.000 0.300 1085 I C -0.768 175.596 176.117 0.411 0.000 1.017 1085 I CA -0.995 60.518 61.300 0.356 0.000 1.098 1085 I CB 1.164 39.291 38.000 0.210 0.000 1.279 1085 I HN 0.464 nan 8.210 nan 0.000 0.437 1086 F N 5.960 125.997 119.950 0.145 0.000 2.504 1086 F HA 0.376 4.906 4.527 0.004 0.000 0.369 1086 F C -0.817 175.079 175.800 0.160 0.000 1.082 1086 F CA -0.004 57.973 58.000 -0.039 0.000 1.216 1086 F CB 0.213 39.112 39.000 -0.168 0.000 1.108 1086 F HN 0.197 nan 8.300 nan 0.000 0.554 1087 F N 4.350 123.977 119.950 -0.538 0.000 2.588 1087 F HA 0.682 5.211 4.527 0.004 0.000 0.318 1087 F C -0.525 174.988 175.800 -0.479 0.000 1.155 1087 F CA -0.533 57.271 58.000 -0.327 0.000 0.967 1087 F CB 1.749 40.671 39.000 -0.131 0.000 1.236 1087 F HN 0.645 nan 8.300 nan 0.000 0.455 1088 G N 4.669 113.047 108.800 -0.703 0.000 2.519 1088 G HA2 0.453 4.416 3.960 0.004 0.000 0.292 1088 G HA3 0.453 4.416 3.960 0.004 0.000 0.292 1088 G C -3.519 171.138 174.900 -0.405 0.000 1.507 1088 G CA -1.124 43.656 45.100 -0.534 0.000 0.806 1088 G HN 0.283 nan 8.290 nan 0.000 0.523 1089 P HA 0.350 nan 4.420 nan 0.000 0.271 1089 P C -0.587 176.674 177.300 -0.066 0.000 1.226 1089 P CA 0.216 63.224 63.100 -0.155 0.000 0.765 1089 P CB 1.065 32.700 31.700 -0.110 0.000 0.835 1090 T N 3.143 117.711 114.554 0.023 0.000 3.050 1090 T HA 0.122 4.474 4.350 0.004 0.000 0.310 1090 T C -0.656 174.196 174.700 0.253 0.000 0.978 1090 T CA -0.379 61.781 62.100 0.099 0.000 1.013 1090 T CB 0.074 68.983 68.868 0.067 0.000 1.000 1090 T HN 0.186 nan 8.240 nan 0.000 0.447 1091 Y N 3.601 123.946 120.300 0.074 0.000 2.865 1091 Y HA 0.154 4.707 4.550 0.005 0.000 0.338 1091 Y C -0.599 175.403 175.900 0.169 0.000 1.269 1091 Y CA 0.378 58.555 58.100 0.129 0.000 1.585 1091 Y CB -0.060 38.436 38.460 0.060 0.000 1.224 1091 Y HN 0.580 nan 8.280 nan 0.000 0.554 1092 Y N 3.320 123.592 120.300 -0.048 0.000 2.587 1092 Y HA 0.459 5.011 4.550 0.005 0.000 0.337 1092 Y C -0.317 175.516 175.900 -0.111 0.000 1.065 1092 Y CA -0.946 57.155 58.100 0.001 0.000 1.126 1092 Y CB 1.721 40.241 38.460 0.101 0.000 1.279 1092 Y HN 0.439 nan 8.280 nan 0.000 0.489 1093 Q N 1.183 121.020 119.800 0.061 0.000 2.387 1093 Q HA 0.510 4.853 4.340 0.004 0.000 0.273 1093 Q C -1.215 174.662 176.000 -0.205 0.000 1.089 1093 Q CA -1.269 54.515 55.803 -0.032 0.000 0.824 1093 Q CB 2.837 31.573 28.738 -0.004 0.000 1.367 1093 Q HN 0.449 nan 8.270 nan 0.000 0.443 1094 R N 2.416 122.743 120.500 -0.289 0.000 2.247 1094 R HA 0.352 4.695 4.340 0.004 0.000 0.329 1094 R C -0.680 175.381 176.300 -0.399 0.000 1.014 1094 R CA -0.188 55.510 56.100 -0.670 0.000 0.907 1094 R CB 0.253 30.218 30.300 -0.558 0.000 1.146 1094 R HN 0.569 nan 8.270 nan 0.000 0.499 1095 L N 3.798 124.808 121.223 -0.356 0.000 2.475 1095 L HA 0.339 4.682 4.340 0.004 0.000 0.253 1095 L C 1.369 178.158 176.870 -0.135 0.000 1.198 1095 L CA -0.603 54.164 54.840 -0.121 0.000 0.814 1095 L CB 0.306 42.357 42.059 -0.013 0.000 1.134 1095 L HN 0.699 nan 8.230 nan 0.000 0.478 1096 R N -0.455 119.973 120.500 -0.120 0.000 3.074 1096 R HA 0.106 4.449 4.340 0.004 0.000 0.193 1096 R C -0.581 175.520 176.300 -0.332 0.000 0.992 1096 R CA -0.374 55.557 56.100 -0.282 0.000 1.177 1096 R CB -0.121 29.866 30.300 -0.522 0.000 0.860 1096 R HN 0.697 nan 8.270 nan 0.000 0.490 1097 H N -0.857 118.132 119.070 -0.135 0.000 3.006 1097 H HA -0.111 4.448 4.556 0.004 0.000 0.340 1097 H C -1.003 174.268 175.328 -0.095 0.000 1.118 1097 H CA 1.012 56.995 56.048 -0.108 0.000 1.110 1097 H CB -1.771 27.943 29.762 -0.079 0.000 1.608 1097 H HN 0.476 nan 8.280 nan 0.000 0.395 1098 M N 1.141 120.723 119.600 -0.030 0.000 2.472 1098 M HA 0.274 4.757 4.480 0.004 0.000 0.331 1098 M C 2.064 178.358 176.300 -0.011 0.000 1.170 1098 M CA -0.853 54.431 55.300 -0.028 0.000 1.009 1098 M CB 1.996 34.548 32.600 -0.080 0.000 1.672 1098 M HN 0.086 nan 8.290 nan 0.000 0.453 1099 V N -0.979 118.940 119.914 0.009 0.000 2.282 1099 V HA -0.267 3.856 4.120 0.004 0.000 0.249 1099 V C 1.345 177.442 176.094 0.006 0.000 1.057 1099 V CA 2.049 64.357 62.300 0.014 0.000 1.032 1099 V CB -0.867 30.967 31.823 0.018 0.000 0.645 1099 V HN 0.876 nan 8.190 nan 0.000 0.447 1100 D N 0.394 120.790 120.400 -0.007 0.000 2.264 1100 D HA -0.124 4.519 4.640 0.004 0.000 0.208 1100 D C 1.415 177.710 176.300 -0.009 0.000 0.966 1100 D CA 1.470 55.467 54.000 -0.004 0.000 0.864 1100 D CB -0.161 40.633 40.800 -0.010 0.000 0.933 1100 D HN 0.534 nan 8.370 nan 0.000 0.499 1101 D N -0.001 120.380 120.400 -0.033 0.000 2.349 1101 D HA -0.033 4.609 4.640 0.004 0.000 0.224 1101 D C 1.640 177.932 176.300 -0.013 0.000 1.029 1101 D CA 0.532 54.508 54.000 -0.041 0.000 0.879 1101 D CB 0.343 41.085 40.800 -0.096 0.000 0.906 1101 D HN 0.182 nan 8.370 nan 0.000 0.528 1102 K N -0.228 120.178 120.400 0.010 0.000 2.443 1102 K HA 0.140 4.463 4.320 0.004 0.000 0.200 1102 K C 0.689 177.327 176.600 0.063 0.000 1.278 1102 K CA -0.168 56.136 56.287 0.029 0.000 0.925 1102 K CB 0.659 33.176 32.500 0.029 0.000 1.225 1102 K HN 0.011 nan 8.250 nan 0.000 0.514 1103 I N 4.457 125.061 120.570 0.057 0.000 2.943 1103 I HA -0.123 4.050 4.170 0.004 0.000 0.296 1103 I C 0.192 176.390 176.117 0.135 0.000 1.220 1103 I CA 0.793 62.137 61.300 0.072 0.000 1.409 1103 I CB -1.461 36.566 38.000 0.046 0.000 1.374 1103 I HN 0.186 nan 8.210 nan 0.000 0.545 1104 H N 5.569 124.645 119.070 0.010 0.000 2.717 1104 H HA 0.819 5.377 4.556 0.004 0.000 0.366 1104 H C -1.328 174.008 175.328 0.013 0.000 1.132 1104 H CA -0.775 55.280 56.048 0.012 0.000 1.180 1104 H CB 1.902 31.672 29.762 0.013 0.000 1.678 1104 H HN 0.723 nan 8.280 nan 0.000 0.537 1105 A N 4.419 126.961 122.820 -0.464 0.000 2.549 1105 A HA 0.702 5.025 4.320 0.004 0.000 0.297 1105 A C -1.253 176.089 177.584 -0.403 0.000 1.061 1105 A CA -0.775 51.003 52.037 -0.432 0.000 0.690 1105 A CB 1.588 20.495 19.000 -0.155 0.000 1.287 1105 A HN 0.845 nan 8.150 nan 0.000 0.402 1106 R N 0.735 121.056 120.500 -0.298 0.000 2.651 1106 R HA 0.769 5.111 4.340 0.004 0.000 0.278 1106 R C -1.273 174.983 176.300 -0.074 0.000 1.010 1106 R CA 0.143 56.165 56.100 -0.130 0.000 0.896 1106 R CB 2.026 32.280 30.300 -0.077 0.000 1.211 1106 R HN 1.632 nan 8.270 nan 0.000 0.456 1107 A N 4.058 126.856 122.820 -0.038 0.000 3.300 1107 A HA 0.505 4.827 4.320 0.004 0.000 0.300 1107 A C -0.607 176.963 177.584 -0.023 0.000 1.099 1107 A CA -0.311 51.705 52.037 -0.034 0.000 0.846 1107 A CB 0.268 19.247 19.000 -0.034 0.000 1.255 1107 A HN 0.958 nan 8.150 nan 0.000 0.519 1108 R N -0.779 119.710 120.500 -0.018 0.000 1.324 1108 R HA 0.119 4.462 4.340 0.004 0.000 0.434 1108 R C 0.146 176.447 176.300 0.001 0.000 1.325 1108 R CA 1.001 57.094 56.100 -0.012 0.000 1.172 1108 R CB -0.789 29.500 30.300 -0.017 0.000 3.276 1108 R HN 2.416 nan 8.270 nan 0.000 0.517 1109 G N 1.798 110.601 108.800 0.006 0.000 2.367 1109 G HA2 0.285 4.248 3.960 0.004 0.000 0.272 1109 G HA3 0.285 4.248 3.960 0.004 0.000 0.272 1109 G C -2.946 171.965 174.900 0.018 0.000 1.271 1109 G CA -0.497 44.613 45.100 0.017 0.000 0.893 1109 G HN 0.539 nan 8.290 nan 0.000 0.485 1110 P HA 0.302 nan 4.420 nan 0.000 0.263 1110 P C -0.487 176.820 177.300 0.011 0.000 1.175 1110 P CA 0.400 63.514 63.100 0.023 0.000 0.761 1110 P CB 0.421 32.140 31.700 0.031 0.000 0.794 1111 M N 1.341 120.940 119.600 -0.002 0.000 2.705 1111 M HA 0.296 4.779 4.480 0.004 0.000 0.311 1111 M C 0.728 177.017 176.300 -0.019 0.000 1.214 1111 M CA -0.897 54.392 55.300 -0.018 0.000 0.920 1111 M CB 1.401 33.976 32.600 -0.042 0.000 1.687 1111 M HN 0.352 nan 8.290 nan 0.000 0.481 1112 Q N 0.139 119.924 119.800 -0.025 0.000 2.396 1112 Q HA 0.331 4.674 4.340 0.004 0.000 0.221 1112 Q C 0.914 176.887 176.000 -0.046 0.000 1.025 1112 Q CA -0.470 55.319 55.803 -0.023 0.000 0.946 1112 Q CB 0.800 29.531 28.738 -0.012 0.000 1.224 1112 Q HN 0.555 nan 8.270 nan 0.000 0.539 1113 V N -0.579 119.317 119.914 -0.031 0.000 2.825 1113 V HA -0.116 4.007 4.120 0.004 0.000 0.246 1113 V C 1.744 177.816 176.094 -0.037 0.000 1.068 1113 V CA 0.523 62.798 62.300 -0.041 0.000 1.088 1113 V CB -0.449 31.366 31.823 -0.013 0.000 0.733 1113 V HN 0.548 nan 8.190 nan 0.000 0.468 1114 L N 1.933 123.156 121.223 -0.000 0.000 2.023 1114 L HA -0.052 4.291 4.340 0.004 0.000 0.205 1114 L C 2.545 179.480 176.870 0.109 0.000 1.073 1114 L CA 2.945 57.815 54.840 0.050 0.000 0.745 1114 L CB -0.939 41.142 42.059 0.038 0.000 0.900 1114 L HN 0.594 nan 8.230 nan 0.000 0.435 1115 T N -4.284 110.299 114.554 0.050 0.000 3.037 1115 T HA 0.086 4.438 4.350 0.004 0.000 0.252 1115 T C 1.004 175.679 174.700 -0.042 0.000 1.073 1115 T CA 0.079 62.236 62.100 0.094 0.000 1.091 1115 T CB -0.108 68.791 68.868 0.052 0.000 0.935 1115 T HN 0.369 nan 8.240 nan 0.000 0.488 1116 R N 1.309 121.688 120.500 -0.203 0.000 3.651 1116 R HA -0.142 4.201 4.340 0.004 0.000 0.292 1116 R C -0.568 175.663 176.300 -0.116 0.000 1.161 1116 R CA 0.544 56.485 56.100 -0.264 0.000 0.787 1116 R CB -2.302 27.655 30.300 -0.572 0.000 1.249 1116 R HN 0.631 nan 8.270 nan 0.000 0.476 1117 Q N 0.035 119.803 119.800 -0.054 0.000 2.241 1117 Q HA 0.461 4.803 4.340 0.004 0.000 0.262 1117 Q C -2.426 173.567 176.000 -0.011 0.000 1.014 1117 Q CA -2.344 53.449 55.803 -0.018 0.000 0.885 1117 Q CB 1.546 30.287 28.738 0.005 0.000 1.311 1117 Q HN -0.136 nan 8.270 nan 0.000 0.461 1118 P HA -0.048 nan 4.420 nan 0.000 0.269 1118 P C -0.656 176.656 177.300 0.021 0.000 1.209 1118 P CA -0.163 62.945 63.100 0.013 0.000 0.776 1118 P CB 0.415 32.129 31.700 0.023 0.000 0.876 1119 V N -0.336 119.593 119.914 0.024 0.000 2.953 1119 V HA 0.333 4.456 4.120 0.004 0.000 0.304 1119 V C 0.297 176.406 176.094 0.024 0.000 1.073 1119 V CA -0.609 61.703 62.300 0.020 0.000 1.064 1119 V CB 0.686 32.519 31.823 0.017 0.000 1.047 1119 V HN 0.455 nan 8.190 nan 0.000 0.478 1120 E N 1.486 121.694 120.200 0.013 0.000 2.331 1120 E HA 0.526 4.879 4.350 0.004 0.000 0.272 1120 E C 0.256 176.848 176.600 -0.012 0.000 1.036 1120 E CA 0.611 57.016 56.400 0.008 0.000 0.864 1120 E CB 0.950 30.653 29.700 0.005 0.000 1.035 1120 E HN 1.646 nan 8.360 nan 0.000 0.408 1121 G N 3.025 111.808 108.800 -0.028 0.000 2.712 1121 G HA2 -0.231 3.732 3.960 0.004 0.000 0.686 1121 G HA3 -0.231 3.732 3.960 0.004 0.000 0.686 1121 G C 0.269 175.054 174.900 -0.192 0.000 1.181 1121 G CA 0.028 45.080 45.100 -0.080 0.000 0.762 1121 G HN 0.715 nan 8.290 nan 0.000 0.641 1122 R N 0.263 120.579 120.500 -0.307 0.000 2.148 1122 R HA -0.010 4.333 4.340 0.004 0.000 0.223 1122 R C 2.453 178.564 176.300 -0.315 0.000 1.088 1122 R CA 2.150 57.884 56.100 -0.611 0.000 0.985 1122 R CB -0.301 29.726 30.300 -0.455 0.000 0.880 1122 R HN 1.055 nan 8.270 nan 0.000 0.451 1123 S N -0.465 115.138 115.700 -0.161 0.000 2.701 1123 S HA 0.131 4.604 4.470 0.004 0.000 0.220 1123 S C 1.045 175.617 174.600 -0.047 0.000 0.954 1123 S CA -0.284 57.870 58.200 -0.077 0.000 0.936 1123 S CB 0.155 63.326 63.200 -0.048 0.000 0.777 1123 S HN 0.394 nan 8.310 nan 0.000 0.518 1124 R N 0.456 120.919 120.500 -0.062 0.000 2.549 1124 R HA 0.189 4.532 4.340 0.004 0.000 0.344 1124 R C -0.700 175.602 176.300 0.004 0.000 0.979 1124 R CA 0.221 56.311 56.100 -0.017 0.000 1.140 1124 R CB 0.189 30.483 30.300 -0.010 0.000 1.377 1124 R HN 0.364 nan 8.270 nan 0.000 0.541 1125 D N 0.858 121.248 120.400 -0.017 0.000 2.746 1125 D HA -0.127 4.516 4.640 0.004 0.000 0.241 1125 D C -0.515 175.863 176.300 0.130 0.000 1.140 1125 D CA 1.160 55.214 54.000 0.089 0.000 0.707 1125 D CB -0.774 40.089 40.800 0.105 0.000 1.034 1125 D HN 0.460 nan 8.370 nan 0.000 0.423 1126 G N -0.362 108.499 108.800 0.102 0.000 2.473 1126 G HA2 0.711 4.673 3.960 0.004 0.000 0.321 1126 G HA3 0.711 4.673 3.960 0.004 0.000 0.321 1126 G C 0.540 175.590 174.900 0.251 0.000 1.200 1126 G CA -0.281 44.895 45.100 0.127 0.000 0.963 1126 G HN 0.441 nan 8.290 nan 0.000 0.483 1127 G N -0.888 108.004 108.800 0.152 0.000 2.572 1127 G HA2 0.474 4.437 3.960 0.004 0.000 0.261 1127 G HA3 0.474 4.437 3.960 0.004 0.000 0.261 1127 G C 0.025 175.002 174.900 0.128 0.000 1.197 1127 G CA -0.643 44.535 45.100 0.129 0.000 0.870 1127 G HN 0.615 nan 8.290 nan 0.000 0.548 1128 L N 0.067 121.357 121.223 0.111 0.000 2.375 1128 L HA 0.393 4.735 4.340 0.004 0.000 0.271 1128 L C 1.137 178.073 176.870 0.111 0.000 1.107 1128 L CA -0.824 54.084 54.840 0.113 0.000 0.806 1128 L CB 1.155 43.279 42.059 0.109 0.000 1.146 1128 L HN 0.515 nan 8.230 nan 0.000 0.447 1129 R N 2.009 122.565 120.500 0.094 0.000 2.399 1129 R HA 0.023 4.365 4.340 0.004 0.000 0.324 1129 R C -0.682 175.694 176.300 0.127 0.000 1.030 1129 R CA -0.202 55.954 56.100 0.095 0.000 0.984 1129 R CB 0.094 30.424 30.300 0.051 0.000 0.961 1129 R HN 0.436 nan 8.270 nan 0.000 0.433 1130 F N 5.911 125.871 119.950 0.018 0.000 2.567 1130 F HA 0.332 4.861 4.527 0.004 0.000 0.352 1130 F C 0.557 176.370 175.800 0.022 0.000 1.229 1130 F CA -0.206 57.809 58.000 0.024 0.000 1.228 1130 F CB 0.079 39.087 39.000 0.013 0.000 1.568 1130 F HN 0.636 nan 8.300 nan 0.000 0.634 1131 G N 3.334 112.016 108.800 -0.198 0.000 2.588 1131 G HA2 0.095 4.058 3.960 0.004 0.000 0.278 1131 G HA3 0.095 4.058 3.960 0.004 0.000 0.278 1131 G C 0.612 175.384 174.900 -0.214 0.000 1.307 1131 G CA -0.280 44.735 45.100 -0.142 0.000 1.016 1131 G HN 0.668 nan 8.290 nan 0.000 0.503 1132 E N -0.616 119.520 120.200 -0.107 0.000 2.106 1132 E HA -0.147 4.206 4.350 0.004 0.000 0.192 1132 E C 2.283 178.813 176.600 -0.116 0.000 0.984 1132 E CA 0.743 57.094 56.400 -0.082 0.000 0.806 1132 E CB -0.127 29.552 29.700 -0.035 0.000 0.750 1132 E HN 0.458 nan 8.360 nan 0.000 0.458 1133 M N 0.651 120.180 119.600 -0.117 0.000 2.267 1133 M HA -0.192 4.290 4.480 0.004 0.000 0.263 1133 M C 1.189 177.402 176.300 -0.146 0.000 1.063 1133 M CA 1.485 56.723 55.300 -0.104 0.000 1.090 1133 M CB 0.159 32.710 32.600 -0.082 0.000 1.392 1133 M HN -0.017 nan 8.290 nan 0.000 0.422 1134 E N -0.492 119.541 120.200 -0.278 0.000 2.122 1134 E HA -0.107 4.245 4.350 0.004 0.000 0.190 1134 E C 1.845 178.241 176.600 -0.341 0.000 0.977 1134 E CA 0.793 56.962 56.400 -0.385 0.000 0.820 1134 E CB -0.367 28.894 29.700 -0.731 0.000 0.770 1134 E HN 0.426 nan 8.360 nan 0.000 0.462 1135 R N 1.178 121.460 120.500 -0.363 0.000 2.091 1135 R HA -0.187 4.156 4.340 0.004 0.000 0.238 1135 R C 0.975 177.310 176.300 0.058 0.000 1.136 1135 R CA 1.803 57.893 56.100 -0.017 0.000 0.959 1135 R CB -0.237 30.098 30.300 0.058 0.000 0.856 1135 R HN 0.111 nan 8.270 nan 0.000 0.437 1136 D N 0.218 120.617 120.400 -0.001 0.000 2.221 1136 D HA -0.147 4.496 4.640 0.004 0.000 0.204 1136 D C 1.812 178.135 176.300 0.038 0.000 0.982 1136 D CA 1.263 55.274 54.000 0.019 0.000 0.857 1136 D CB -0.183 40.612 40.800 -0.009 0.000 0.934 1136 D HN 0.390 nan 8.370 nan 0.000 0.475 1137 C N 0.333 119.660 119.300 0.045 0.000 2.464 1137 C HA 0.039 4.501 4.460 0.004 0.000 0.278 1137 C C 2.510 177.641 174.990 0.236 0.000 1.375 1137 C CA 0.000 59.075 59.018 0.094 0.000 1.761 1137 C CB -0.475 27.315 27.740 0.083 0.000 1.944 1137 C HN 0.297 nan 8.230 nan 0.000 0.509 1138 M N 0.569 120.318 119.600 0.248 0.000 2.288 1138 M HA 0.084 4.567 4.480 0.004 0.000 0.266 1138 M C 1.895 178.335 176.300 0.232 0.000 1.072 1138 M CA 1.190 56.671 55.300 0.301 0.000 1.132 1138 M CB -1.091 31.766 32.600 0.429 0.000 1.386 1138 M HN 0.322 nan 8.290 nan 0.000 0.432 1139 I N 0.064 120.736 120.570 0.169 0.000 2.142 1139 I HA -0.255 3.917 4.170 0.004 0.000 0.240 1139 I C 2.552 178.721 176.117 0.086 0.000 1.078 1139 I CA 1.209 62.578 61.300 0.116 0.000 1.343 1139 I CB -0.686 37.364 38.000 0.083 0.000 1.046 1139 I HN 0.214 nan 8.210 nan 0.000 0.405 1140 A N 0.371 123.221 122.820 0.050 0.000 1.884 1140 A HA -0.343 3.980 4.320 0.004 0.000 0.219 1140 A C 2.121 179.686 177.584 -0.032 0.000 1.197 1140 A CA 2.378 54.400 52.037 -0.025 0.000 0.637 1140 A CB -1.447 17.495 19.000 -0.097 0.000 0.827 1140 A HN 0.497 nan 8.150 nan 0.000 0.450 1141 H N -1.729 117.350 119.070 0.016 0.000 2.426 1141 H HA 0.085 4.644 4.556 0.005 0.000 0.298 1141 H C 1.742 177.076 175.328 0.010 0.000 1.107 1141 H CA 1.608 57.659 56.048 0.005 0.000 1.298 1141 H CB -0.029 29.729 29.762 -0.007 0.000 1.377 1141 H HN 0.806 nan 8.280 nan 0.000 0.519 1142 G N -1.058 107.835 108.800 0.155 0.000 2.176 1142 G HA2 -0.251 3.711 3.960 0.004 0.000 0.232 1142 G HA3 -0.251 3.711 3.960 0.004 0.000 0.232 1142 G C 0.376 175.335 174.900 0.099 0.000 0.986 1142 G CA 0.066 45.226 45.100 0.099 0.000 0.643 1142 G HN 0.660 nan 8.290 nan 0.000 0.522 1143 A N 0.401 123.293 122.820 0.120 0.000 2.457 1143 A HA 0.807 5.130 4.320 0.004 0.000 0.298 1143 A C 1.478 179.149 177.584 0.145 0.000 1.288 1143 A CA 1.097 53.197 52.037 0.104 0.000 0.956 1143 A CB 0.298 19.328 19.000 0.051 0.000 1.135 1143 A HN 1.670 nan 8.150 nan 0.000 0.535 1144 A N 2.262 125.148 122.820 0.109 0.000 1.903 1144 A HA 0.054 4.377 4.320 0.004 0.000 0.213 1144 A C 2.388 180.027 177.584 0.092 0.000 1.185 1144 A CA 1.729 53.824 52.037 0.096 0.000 0.628 1144 A CB -0.627 18.413 19.000 0.067 0.000 0.830 1144 A HN 0.710 nan 8.150 nan 0.000 0.446 1145 S N -1.275 114.478 115.700 0.089 0.000 2.355 1145 S HA -0.117 4.356 4.470 0.004 0.000 0.222 1145 S C 1.749 176.388 174.600 0.065 0.000 1.031 1145 S CA 1.440 59.678 58.200 0.063 0.000 0.993 1145 S CB -0.515 62.719 63.200 0.057 0.000 0.859 1145 S HN 0.569 nan 8.310 nan 0.000 0.453 1146 F N 2.219 122.150 119.950 -0.032 0.000 2.154 1146 F HA -0.094 4.435 4.527 0.004 0.000 0.301 1146 F C 1.931 177.680 175.800 -0.085 0.000 1.087 1146 F CA 1.447 59.410 58.000 -0.061 0.000 1.274 1146 F CB -0.217 38.748 39.000 -0.058 0.000 1.009 1146 F HN 0.235 nan 8.300 nan 0.000 0.485 1147 L N 0.918 122.191 121.223 0.084 0.000 2.217 1147 L HA -0.148 4.194 4.340 0.004 0.000 0.211 1147 L C 2.244 179.050 176.870 -0.107 0.000 1.107 1147 L CA 1.753 56.599 54.840 0.009 0.000 0.783 1147 L CB -0.948 41.222 42.059 0.184 0.000 0.919 1147 L HN 0.334 nan 8.230 nan 0.000 0.442 1148 K N 0.269 120.621 120.400 -0.080 0.000 2.007 1148 K HA -0.229 4.094 4.320 0.004 0.000 0.206 1148 K C 1.890 178.388 176.600 -0.170 0.000 1.047 1148 K CA 1.264 57.500 56.287 -0.086 0.000 0.937 1148 K CB -0.240 32.238 32.500 -0.035 0.000 0.718 1148 K HN 0.300 nan 8.250 nan 0.000 0.438 1149 E N 0.563 120.635 120.200 -0.212 0.000 2.114 1149 E HA -0.228 4.124 4.350 0.004 0.000 0.199 1149 E C 1.867 178.251 176.600 -0.361 0.000 1.008 1149 E CA 1.228 57.474 56.400 -0.257 0.000 0.810 1149 E CB 0.107 29.649 29.700 -0.262 0.000 0.739 1149 E HN 0.197 nan 8.360 nan 0.000 0.456 1150 R N -0.338 119.813 120.500 -0.583 0.000 2.339 1150 R HA -0.030 4.313 4.340 0.004 0.000 0.199 1150 R C 0.834 176.867 176.300 -0.444 0.000 1.018 1150 R CA 0.389 56.075 56.100 -0.690 0.000 1.036 1150 R CB 0.127 29.679 30.300 -1.247 0.000 0.899 1150 R HN 0.164 nan 8.270 nan 0.000 0.473 1151 L N -0.949 120.108 121.223 -0.276 0.000 3.333 1151 L HA 0.222 4.565 4.340 0.004 0.000 0.299 1151 L C 0.921 177.740 176.870 -0.085 0.000 1.256 1151 L CA 0.217 54.977 54.840 -0.133 0.000 1.037 1151 L CB 0.661 42.682 42.059 -0.062 0.000 1.423 1151 L HN -0.079 nan 8.230 nan 0.000 0.605 1152 M N -2.056 117.477 119.600 -0.112 0.000 2.146 1152 M HA 0.230 4.713 4.480 0.004 0.000 0.194 1152 M C 1.560 177.808 176.300 -0.086 0.000 1.652 1152 M CA 0.679 55.933 55.300 -0.076 0.000 0.986 1152 M CB 0.107 32.662 32.600 -0.074 0.000 1.496 1152 M HN -0.055 nan 8.290 nan 0.000 0.576 1153 E N 1.552 121.682 120.200 -0.117 0.000 2.008 1153 E HA 0.187 4.540 4.350 0.004 0.000 0.191 1153 E C 0.813 177.355 176.600 -0.097 0.000 0.986 1153 E CA 0.927 57.264 56.400 -0.105 0.000 0.807 1153 E CB -0.191 29.442 29.700 -0.110 0.000 0.766 1153 E HN 0.439 nan 8.360 nan 0.000 0.450 1154 A N 0.347 123.090 122.820 -0.128 0.000 2.425 1154 A HA 0.392 4.715 4.320 0.004 0.000 0.242 1154 A C 0.694 178.224 177.584 -0.090 0.000 1.077 1154 A CA 0.372 52.342 52.037 -0.112 0.000 0.781 1154 A CB 0.276 19.185 19.000 -0.151 0.000 1.020 1154 A HN 0.207 nan 8.150 nan 0.000 0.494 1155 S N -0.477 115.190 115.700 -0.055 0.000 3.521 1155 S HA -0.196 4.277 4.470 0.004 0.000 0.631 1155 S C -0.319 174.270 174.600 -0.019 0.000 2.557 1155 S CA 1.144 59.326 58.200 -0.030 0.000 3.244 1155 S CB -1.280 61.905 63.200 -0.026 0.000 0.300 1155 S HN 1.629 nan 8.310 nan 0.000 1.439 1156 D N 1.787 122.188 120.400 0.002 0.000 2.280 1156 D HA 0.654 5.297 4.640 0.004 0.000 0.236 1156 D C -0.278 176.063 176.300 0.069 0.000 1.082 1156 D CA 0.204 54.225 54.000 0.035 0.000 0.834 1156 D CB 1.130 41.964 40.800 0.057 0.000 1.100 1156 D HN 0.868 nan 8.370 nan 0.000 0.486 1157 A N 2.000 124.874 122.820 0.089 0.000 2.350 1157 A HA 0.816 5.139 4.320 0.004 0.000 0.318 1157 A C -1.485 176.262 177.584 0.272 0.000 1.132 1157 A CA -0.809 51.299 52.037 0.118 0.000 0.811 1157 A CB 1.541 20.547 19.000 0.009 0.000 1.313 1157 A HN 0.530 nan 8.150 nan 0.000 0.454 1158 F N -0.063 119.940 119.950 0.089 0.000 2.668 1158 F HA 0.631 5.161 4.527 0.004 0.000 0.309 1158 F C -0.513 175.385 175.800 0.164 0.000 1.117 1158 F CA -0.551 57.533 58.000 0.140 0.000 0.951 1158 F CB 1.656 40.785 39.000 0.214 0.000 1.323 1158 F HN 0.541 nan 8.300 nan 0.000 0.451 1159 R N 4.193 124.390 120.500 -0.506 0.000 2.388 1159 R HA 0.664 5.007 4.340 0.004 0.000 0.314 1159 R C -1.913 174.092 176.300 -0.493 0.000 0.959 1159 R CA -0.286 55.621 56.100 -0.321 0.000 0.851 1159 R CB 1.193 31.381 30.300 -0.187 0.000 1.168 1159 R HN 0.552 nan 8.270 nan 0.000 0.472 1160 V N 2.965 122.734 119.914 -0.241 0.000 3.193 1160 V HA 0.514 4.637 4.120 0.004 0.000 0.320 1160 V C 0.019 175.865 176.094 -0.412 0.000 1.112 1160 V CA -0.858 61.360 62.300 -0.136 0.000 1.026 1160 V CB 1.972 33.879 31.823 0.139 0.000 1.128 1160 V HN 0.654 nan 8.190 nan 0.000 0.452 1161 H N 1.493 120.580 119.070 0.028 0.000 2.589 1161 H HA 0.510 5.069 4.556 0.004 0.000 0.335 1161 H C -1.113 174.207 175.328 -0.014 0.000 1.019 1161 H CA -0.532 55.501 56.048 -0.024 0.000 1.213 1161 H CB 1.870 31.611 29.762 -0.035 0.000 1.472 1161 H HN 0.288 nan 8.280 nan 0.000 0.508 1162 I N 2.069 122.673 120.570 0.057 0.000 2.437 1162 I HA 0.050 4.222 4.170 0.004 0.000 0.298 1162 I C 0.968 177.086 176.117 0.001 0.000 0.984 1162 I CA -0.487 60.827 61.300 0.023 0.000 1.214 1162 I CB 1.655 39.656 38.000 0.001 0.000 1.365 1162 I HN 0.564 nan 8.210 nan 0.000 0.469 1163 C N 4.604 123.885 119.300 -0.031 0.000 2.536 1163 C HA 0.492 4.955 4.460 0.004 0.000 0.396 1163 C C 1.753 176.695 174.990 -0.081 0.000 1.279 1163 C CA -0.134 58.850 59.018 -0.056 0.000 2.148 1163 C CB 0.286 27.996 27.740 -0.050 0.000 2.584 1163 C HN 1.016 nan 8.230 nan 0.000 0.579 1164 G N 4.493 113.262 108.800 -0.051 0.000 2.511 1164 G HA2 0.039 4.001 3.960 0.004 0.000 0.217 1164 G HA3 0.039 4.001 3.960 0.004 0.000 0.217 1164 G C 1.086 175.918 174.900 -0.112 0.000 1.133 1164 G CA 0.697 45.789 45.100 -0.012 0.000 0.792 1164 G HN 0.710 nan 8.290 nan 0.000 0.539 1165 I N 1.412 121.928 120.570 -0.089 0.000 2.883 1165 I HA 0.099 4.271 4.170 0.004 0.000 0.230 1165 I C 1.799 177.853 176.117 -0.104 0.000 1.052 1165 I CA -0.260 61.005 61.300 -0.058 0.000 1.434 1165 I CB -1.661 36.331 38.000 -0.013 0.000 1.269 1165 I HN 0.225 nan 8.210 nan 0.000 0.436 1166 C N 2.191 121.451 119.300 -0.067 0.000 2.585 1166 C HA 0.608 5.071 4.460 0.004 0.000 0.406 1166 C C 1.443 176.355 174.990 -0.129 0.000 1.312 1166 C CA -0.676 58.310 59.018 -0.052 0.000 1.924 1166 C CB -0.320 27.412 27.740 -0.013 0.000 2.578 1166 C HN 0.660 nan 8.230 nan 0.000 0.580 1167 G N 3.921 112.638 108.800 -0.138 0.000 3.374 1167 G HA2 0.386 4.349 3.960 0.004 0.000 0.252 1167 G HA3 0.386 4.349 3.960 0.004 0.000 0.252 1167 G C 0.128 174.960 174.900 -0.114 0.000 1.326 1167 G CA -0.187 44.790 45.100 -0.205 0.000 1.133 1167 G HN 0.802 nan 8.290 nan 0.000 0.528 1168 L N -1.543 119.636 121.223 -0.074 0.000 2.464 1168 L HA 0.549 4.892 4.340 0.004 0.000 0.264 1168 L C 1.050 177.915 176.870 -0.009 0.000 1.062 1168 L CA -1.099 53.715 54.840 -0.044 0.000 0.935 1168 L CB 1.122 43.169 42.059 -0.020 0.000 1.603 1168 L HN -0.020 nan 8.230 nan 0.000 0.528 1169 M N -0.309 119.306 119.600 0.024 0.000 2.989 1169 M HA 0.136 4.619 4.480 0.004 0.000 0.307 1169 M C 0.660 176.998 176.300 0.064 0.000 1.224 1169 M CA -0.089 55.248 55.300 0.062 0.000 0.984 1169 M CB 0.178 32.833 32.600 0.092 0.000 1.264 1169 M HN 0.590 nan 8.290 nan 0.000 0.525 1170 T N -0.416 114.164 114.554 0.043 0.000 2.867 1170 T HA -0.011 4.342 4.350 0.004 0.000 0.268 1170 T C 0.991 175.723 174.700 0.054 0.000 1.057 1170 T CA 0.574 62.698 62.100 0.041 0.000 1.136 1170 T CB -0.092 68.790 68.868 0.024 0.000 0.874 1170 T HN 0.239 nan 8.240 nan 0.000 0.466 1171 V N 2.770 122.722 119.914 0.063 0.000 2.584 1171 V HA -0.014 4.109 4.120 0.004 0.000 0.303 1171 V C 0.386 176.538 176.094 0.095 0.000 1.035 1171 V CA 0.315 62.661 62.300 0.078 0.000 1.172 1171 V CB -0.372 31.503 31.823 0.087 0.000 0.896 1171 V HN 0.386 nan 8.190 nan 0.000 0.486 1172 I N 4.801 125.419 120.570 0.079 0.000 2.287 1172 I HA 0.357 4.529 4.170 0.004 0.000 0.290 1172 I C 0.826 176.978 176.117 0.058 0.000 1.069 1172 I CA -0.133 61.206 61.300 0.065 0.000 1.237 1172 I CB 0.976 38.998 38.000 0.037 0.000 1.418 1172 I HN 0.692 nan 8.210 nan 0.000 0.481 1173 A N 7.073 129.931 122.820 0.064 0.000 2.797 1173 A HA 0.201 4.524 4.320 0.004 0.000 0.296 1173 A C 0.277 177.833 177.584 -0.047 0.000 1.580 1173 A CA -0.345 51.696 52.037 0.007 0.000 1.277 1173 A CB -0.595 18.412 19.000 0.012 0.000 1.101 1173 A HN 0.659 nan 8.150 nan 0.000 0.562 1174 K N 2.601 122.917 120.400 -0.140 0.000 2.171 1174 K HA 0.247 4.570 4.320 0.004 0.000 0.274 1174 K C 0.036 176.502 176.600 -0.223 0.000 1.110 1174 K CA 0.082 56.296 56.287 -0.121 0.000 0.952 1174 K CB 0.389 32.827 32.500 -0.104 0.000 1.309 1174 K HN 0.660 nan 8.250 nan 0.000 0.414 1175 L N 2.388 123.538 121.223 -0.122 0.000 2.672 1175 L HA 0.039 4.381 4.340 0.004 0.000 0.236 1175 L C 1.030 177.820 176.870 -0.132 0.000 1.186 1175 L CA 0.175 54.945 54.840 -0.118 0.000 0.977 1175 L CB -0.254 41.802 42.059 -0.005 0.000 1.203 1175 L HN 0.604 nan 8.230 nan 0.000 0.448 1176 N N -1.665 116.916 118.700 -0.199 0.000 2.104 1176 N HA 0.009 4.752 4.740 0.004 0.000 0.227 1176 N C 1.188 176.432 175.510 -0.444 0.000 1.321 1176 N CA 0.218 53.083 53.050 -0.308 0.000 0.877 1176 N CB 0.599 38.867 38.487 -0.365 0.000 1.117 1176 N HN 0.220 nan 8.380 nan 0.000 0.486 1177 H N 0.067 119.039 119.070 -0.164 0.000 2.594 1177 H HA 0.345 4.904 4.556 0.005 0.000 0.279 1177 H C 0.094 175.285 175.328 -0.228 0.000 1.042 1177 H CA -0.040 55.913 56.048 -0.159 0.000 1.177 1177 H CB 0.325 30.006 29.762 -0.136 0.000 1.524 1177 H HN 0.261 nan 8.280 nan 0.000 0.537 1178 N N 0.852 119.392 118.700 -0.267 0.000 2.853 1178 N HA -0.232 4.511 4.740 0.004 0.000 0.239 1178 N C -0.273 174.854 175.510 -0.638 0.000 0.967 1178 N CA 0.553 53.338 53.050 -0.442 0.000 0.973 1178 N CB -0.572 37.814 38.487 -0.169 0.000 1.104 1178 N HN 0.479 nan 8.380 nan 0.000 0.602 1179 Q N -0.262 119.285 119.800 -0.423 0.000 2.286 1179 Q HA 0.162 4.504 4.340 0.004 0.000 0.267 1179 Q C 0.147 175.880 176.000 -0.446 0.000 1.028 1179 Q CA 0.214 55.834 55.803 -0.304 0.000 0.901 1179 Q CB 0.466 29.112 28.738 -0.153 0.000 1.183 1179 Q HN 0.289 nan 8.270 nan 0.000 0.392 1180 F N 0.904 120.812 119.950 -0.070 0.000 2.394 1180 F HA 0.110 4.639 4.527 0.004 0.000 0.269 1180 F C 0.001 175.759 175.800 -0.070 0.000 1.012 1180 F CA -0.339 57.602 58.000 -0.097 0.000 1.138 1180 F CB 0.418 39.341 39.000 -0.130 0.000 1.140 1180 F HN 0.469 nan 8.300 nan 0.000 0.623 1181 E N -0.241 120.051 120.200 0.154 0.000 7.494 1181 E HA -0.236 4.116 4.350 0.004 0.000 0.356 1181 E C -1.280 175.349 176.600 0.048 0.000 0.670 1181 E CA -0.156 56.281 56.400 0.063 0.000 1.219 1181 E CB -1.138 28.578 29.700 0.027 0.000 0.933 1181 E HN 0.353 nan 8.360 nan 0.000 0.264 1182 C N 5.355 124.670 119.300 0.025 0.000 2.135 1182 C HA 0.266 4.729 4.460 0.004 0.000 0.345 1182 C C 0.672 175.669 174.990 0.012 0.000 1.067 1182 C CA -0.431 58.596 59.018 0.016 0.000 1.517 1182 C CB -1.129 26.612 27.740 0.001 0.000 1.923 1182 C HN 0.565 nan 8.230 nan 0.000 0.466 1183 K N 4.434 124.843 120.400 0.014 0.000 2.380 1183 K HA 0.454 4.777 4.320 0.004 0.000 0.267 1183 K C 1.276 177.881 176.600 0.008 0.000 0.990 1183 K CA 0.696 56.988 56.287 0.009 0.000 0.946 1183 K CB 0.335 32.840 32.500 0.008 0.000 0.937 1183 K HN 1.032 nan 8.250 nan 0.000 0.491 1184 G N 1.561 110.364 108.800 0.006 0.000 3.246 1184 G HA2 -0.464 3.498 3.960 0.004 0.000 0.227 1184 G HA3 -0.464 3.498 3.960 0.004 0.000 0.227 1184 G C 1.314 176.217 174.900 0.005 0.000 1.291 1184 G CA 0.501 45.604 45.100 0.005 0.000 0.900 1184 G HN 0.859 nan 8.290 nan 0.000 0.538 1185 C N 1.346 120.649 119.300 0.006 0.000 2.443 1185 C HA 0.244 4.707 4.460 0.004 0.000 0.290 1185 C C 1.642 176.634 174.990 0.003 0.000 1.476 1185 C CA 1.385 60.406 59.018 0.004 0.000 1.772 1185 C CB -1.576 26.165 27.740 0.003 0.000 1.714 1185 C HN 0.698 nan 8.230 nan 0.000 0.562 1186 D N 0.361 120.763 120.400 0.003 0.000 3.079 1186 D HA -0.180 4.462 4.640 0.004 0.000 0.214 1186 D C 0.029 176.329 176.300 -0.000 0.000 1.145 1186 D CA 1.174 55.175 54.000 0.002 0.000 0.958 1186 D CB -1.866 38.935 40.800 0.002 0.000 1.117 1186 D HN 0.793 nan 8.370 nan 0.000 0.416 1187 N N 0.407 119.105 118.700 -0.002 0.000 2.524 1187 N HA 0.197 4.939 4.740 0.004 0.000 0.283 1187 N C 0.719 176.228 175.510 -0.003 0.000 1.142 1187 N CA 0.127 53.172 53.050 -0.009 0.000 0.984 1187 N CB 0.833 39.308 38.487 -0.020 0.000 1.155 1187 N HN 0.036 nan 8.380 nan 0.000 0.467 1188 K N 2.224 122.621 120.400 -0.005 0.000 2.590 1188 K HA 0.203 4.526 4.320 0.004 0.000 0.218 1188 K C 0.673 177.278 176.600 0.008 0.000 1.536 1188 K CA 0.040 56.336 56.287 0.014 0.000 1.013 1188 K CB 0.659 33.167 32.500 0.013 0.000 1.265 1188 K HN 0.425 nan 8.250 nan 0.000 0.603 1189 I N 0.216 120.766 120.570 -0.033 0.000 3.366 1189 I HA 0.034 4.206 4.170 0.004 0.000 0.267 1189 I C 0.233 176.249 176.117 -0.168 0.000 1.149 1189 I CA 0.164 61.424 61.300 -0.067 0.000 1.436 1189 I CB 0.376 38.348 38.000 -0.047 0.000 1.379 1189 I HN -0.106 nan 8.210 nan 0.000 0.460 1190 D N 3.137 123.443 120.400 -0.158 0.000 2.398 1190 D HA 0.385 5.028 4.640 0.004 0.000 0.250 1190 D C -0.556 175.541 176.300 -0.337 0.000 1.287 1190 D CA 0.693 54.547 54.000 -0.243 0.000 0.992 1190 D CB 0.181 40.932 40.800 -0.083 0.000 1.071 1190 D HN 0.122 nan 8.370 nan 0.000 0.514 1191 I N 2.495 122.689 120.570 -0.627 0.000 2.644 1191 I HA 0.219 4.392 4.170 0.004 0.000 0.291 1191 I C -1.219 174.444 176.117 -0.758 0.000 1.180 1191 I CA -0.750 60.227 61.300 -0.538 0.000 1.040 1191 I CB 1.812 39.551 38.000 -0.435 0.000 1.255 1191 I HN 0.068 nan 8.210 nan 0.000 0.422 1192 Y N 4.055 124.260 120.300 -0.159 0.000 2.409 1192 Y HA 0.426 4.979 4.550 0.004 0.000 0.343 1192 Y C -0.062 175.756 175.900 -0.138 0.000 0.973 1192 Y CA -0.692 57.323 58.100 -0.142 0.000 1.064 1192 Y CB 1.820 40.206 38.460 -0.123 0.000 1.207 1192 Y HN 0.426 nan 8.280 nan 0.000 0.452 1193 Q N 5.125 124.913 119.800 -0.020 0.000 2.288 1193 Q HA 0.453 4.795 4.340 0.004 0.000 0.258 1193 Q C -0.983 174.890 176.000 -0.211 0.000 0.957 1193 Q CA -0.607 55.075 55.803 -0.201 0.000 0.919 1193 Q CB 0.737 29.360 28.738 -0.191 0.000 1.185 1193 Q HN 0.700 nan 8.270 nan 0.000 0.408 1194 I N 1.423 121.845 120.570 -0.247 0.000 2.892 1194 I HA 0.470 4.643 4.170 0.004 0.000 0.306 1194 I C -1.500 174.498 176.117 -0.199 0.000 1.078 1194 I CA -0.843 60.336 61.300 -0.201 0.000 1.032 1194 I CB 1.911 39.875 38.000 -0.059 0.000 1.229 1194 I HN 0.687 nan 8.210 nan 0.000 0.435 1195 H N 6.322 125.390 119.070 -0.003 0.000 2.581 1195 H HA 0.622 5.181 4.556 0.005 0.000 0.308 1195 H C -0.079 175.281 175.328 0.053 0.000 1.040 1195 H CA -0.357 55.700 56.048 0.015 0.000 1.231 1195 H CB 1.417 31.181 29.762 0.004 0.000 1.396 1195 H HN 0.658 nan 8.280 nan 0.000 0.467 1196 I N 0.437 121.140 120.570 0.222 0.000 3.042 1196 I HA 0.600 4.773 4.170 0.004 0.000 0.310 1196 I C -3.097 173.127 176.117 0.178 0.000 1.117 1196 I CA -2.945 58.458 61.300 0.172 0.000 1.003 1196 I CB 2.281 40.382 38.000 0.169 0.000 1.228 1196 I HN 0.097 nan 8.210 nan 0.000 0.443 1197 P HA 0.106 nan 4.420 nan 0.000 0.269 1197 P C 0.016 177.368 177.300 0.088 0.000 1.215 1197 P CA 0.265 63.424 63.100 0.098 0.000 0.780 1197 P CB 0.502 32.221 31.700 0.030 0.000 0.898 1198 Y N 3.090 123.366 120.300 -0.041 0.000 2.145 1198 Y HA -0.226 4.327 4.550 0.005 0.000 0.286 1198 Y C 2.376 178.155 175.900 -0.201 0.000 1.145 1198 Y CA 2.297 60.267 58.100 -0.216 0.000 1.148 1198 Y CB -0.942 37.355 38.460 -0.273 0.000 0.981 1198 Y HN 0.423 nan 8.280 nan 0.000 0.507 1199 A N 0.350 123.176 122.820 0.011 0.000 2.042 1199 A HA -0.262 4.061 4.320 0.004 0.000 0.222 1199 A C 2.298 179.746 177.584 -0.228 0.000 1.167 1199 A CA 2.080 54.069 52.037 -0.080 0.000 0.649 1199 A CB -1.420 17.567 19.000 -0.022 0.000 0.809 1199 A HN 0.635 nan 8.150 nan 0.000 0.457 1200 A N -0.129 122.527 122.820 -0.274 0.000 1.835 1200 A HA -0.053 4.270 4.320 0.004 0.000 0.213 1200 A C 2.132 179.337 177.584 -0.633 0.000 1.210 1200 A CA 1.722 53.458 52.037 -0.502 0.000 0.605 1200 A CB -0.553 18.220 19.000 -0.379 0.000 0.860 1200 A HN 0.400 nan 8.150 nan 0.000 0.447 1201 K N 0.025 120.194 120.400 -0.384 0.000 2.097 1201 K HA -0.212 4.110 4.320 0.004 0.000 0.214 1201 K C 1.869 178.270 176.600 -0.331 0.000 1.052 1201 K CA 1.953 58.087 56.287 -0.256 0.000 0.932 1201 K CB -0.679 31.629 32.500 -0.320 0.000 0.716 1201 K HN 0.387 nan 8.250 nan 0.000 0.455 1202 L N 1.270 122.198 121.223 -0.492 0.000 2.012 1202 L HA -0.202 4.141 4.340 0.004 0.000 0.210 1202 L C 2.676 179.414 176.870 -0.220 0.000 1.073 1202 L CA 1.548 56.168 54.840 -0.367 0.000 0.748 1202 L CB -0.874 40.986 42.059 -0.331 0.000 0.891 1202 L HN 0.333 nan 8.230 nan 0.000 0.431 1203 L N -0.472 120.582 121.223 -0.282 0.000 2.042 1203 L HA -0.226 4.116 4.340 0.004 0.000 0.210 1203 L C 2.329 179.148 176.870 -0.086 0.000 1.076 1203 L CA 1.847 56.551 54.840 -0.226 0.000 0.749 1203 L CB -0.744 41.113 42.059 -0.337 0.000 0.893 1203 L HN 0.128 nan 8.230 nan 0.000 0.432 1204 F N -0.660 119.255 119.950 -0.057 0.000 2.146 1204 F HA -0.216 4.314 4.527 0.005 0.000 0.298 1204 F C 2.604 178.381 175.800 -0.037 0.000 1.096 1204 F CA 1.015 58.993 58.000 -0.037 0.000 1.275 1204 F CB -0.363 38.619 39.000 -0.030 0.000 1.008 1204 F HN 0.162 nan 8.300 nan 0.000 0.480 1205 Q N 0.511 120.382 119.800 0.117 0.000 2.084 1205 Q HA -0.227 4.116 4.340 0.004 0.000 0.202 1205 Q C 1.984 178.005 176.000 0.035 0.000 0.978 1205 Q CA 1.701 57.534 55.803 0.050 0.000 0.844 1205 Q CB -0.350 28.382 28.738 -0.011 0.000 0.898 1205 Q HN 0.540 nan 8.270 nan 0.000 0.426 1206 E N 0.711 120.920 120.200 0.014 0.000 2.058 1206 E HA -0.186 4.166 4.350 0.004 0.000 0.194 1206 E C 2.090 178.710 176.600 0.034 0.000 0.997 1206 E CA 0.898 57.306 56.400 0.013 0.000 0.801 1206 E CB -0.122 29.574 29.700 -0.007 0.000 0.746 1206 E HN 0.295 nan 8.360 nan 0.000 0.450 1207 L N 0.176 121.436 121.223 0.062 0.000 2.083 1207 L HA -0.220 4.123 4.340 0.004 0.000 0.209 1207 L C 2.541 179.445 176.870 0.057 0.000 1.083 1207 L CA 1.056 55.939 54.840 0.072 0.000 0.752 1207 L CB -0.260 41.872 42.059 0.122 0.000 0.899 1207 L HN 0.251 nan 8.230 nan 0.000 0.433 1208 M N -0.899 118.737 119.600 0.060 0.000 2.086 1208 M HA -0.176 4.306 4.480 0.004 0.000 0.261 1208 M C 2.429 178.748 176.300 0.031 0.000 1.067 1208 M CA 1.885 57.209 55.300 0.041 0.000 1.116 1208 M CB -0.485 32.139 32.600 0.042 0.000 1.348 1208 M HN 0.279 nan 8.290 nan 0.000 0.407 1209 A N -0.471 122.367 122.820 0.029 0.000 2.125 1209 A HA -0.130 4.193 4.320 0.004 0.000 0.219 1209 A C 2.036 179.632 177.584 0.020 0.000 1.156 1209 A CA 1.294 53.344 52.037 0.022 0.000 0.671 1209 A CB -0.648 18.363 19.000 0.018 0.000 0.794 1209 A HN 0.547 nan 8.150 nan 0.000 0.459 1210 M N -0.866 118.748 119.600 0.022 0.000 2.495 1210 M HA 0.136 4.619 4.480 0.004 0.000 0.237 1210 M C 0.330 176.641 176.300 0.019 0.000 1.131 1210 M CA 0.159 55.471 55.300 0.020 0.000 1.032 1210 M CB 0.080 32.693 32.600 0.021 0.000 1.513 1210 M HN 0.506 nan 8.290 nan 0.000 0.488 1211 N N 1.570 120.282 118.700 0.020 0.000 2.858 1211 N HA -0.146 4.596 4.740 0.004 0.000 0.247 1211 N C -1.507 174.014 175.510 0.019 0.000 1.092 1211 N CA 0.521 53.582 53.050 0.018 0.000 0.675 1211 N CB -1.005 37.490 38.487 0.015 0.000 0.959 1211 N HN 0.412 nan 8.380 nan 0.000 0.558 1212 I N 1.289 121.873 120.570 0.023 0.000 2.534 1212 I HA 0.175 4.347 4.170 0.004 0.000 0.288 1212 I C 0.330 176.458 176.117 0.019 0.000 1.077 1212 I CA -0.668 60.645 61.300 0.022 0.000 1.051 1212 I CB 2.088 40.105 38.000 0.028 0.000 1.234 1212 I HN 0.127 nan 8.210 nan 0.000 0.425 1213 T N 3.095 117.654 114.554 0.009 0.000 2.747 1213 T HA 0.473 4.826 4.350 0.004 0.000 0.301 1213 T C -2.419 172.268 174.700 -0.023 0.000 0.952 1213 T CA -1.669 60.430 62.100 -0.002 0.000 0.983 1213 T CB 0.541 69.412 68.868 0.005 0.000 0.930 1213 T HN 0.280 nan 8.240 nan 0.000 0.494 1214 P HA 0.350 nan 4.420 nan 0.000 0.285 1214 P C -0.342 176.835 177.300 -0.205 0.000 1.448 1214 P CA -0.736 62.275 63.100 -0.150 0.000 0.953 1214 P CB 0.622 32.179 31.700 -0.237 0.000 1.175 1215 R N 3.277 123.730 120.500 -0.079 0.000 2.389 1215 R HA 0.359 4.702 4.340 0.004 0.000 0.295 1215 R C -0.020 176.292 176.300 0.020 0.000 1.075 1215 R CA -0.478 55.641 56.100 0.031 0.000 1.005 1215 R CB 0.492 30.940 30.300 0.246 0.000 0.987 1215 R HN 0.532 nan 8.270 nan 0.000 0.452 1216 L N 4.718 125.921 121.223 -0.033 0.000 2.295 1216 L HA 0.370 4.713 4.340 0.004 0.000 0.281 1216 L C -0.653 176.216 176.870 -0.002 0.000 1.018 1216 L CA -0.600 54.216 54.840 -0.039 0.000 0.841 1216 L CB 0.449 42.425 42.059 -0.139 0.000 1.218 1216 L HN 0.415 nan 8.230 nan 0.000 0.424 1217 Y N 0.812 121.062 120.300 -0.084 0.000 2.534 1217 Y HA 0.404 4.957 4.550 0.005 0.000 0.329 1217 Y C 1.284 177.118 175.900 -0.110 0.000 1.154 1217 Y CA -0.592 57.459 58.100 -0.081 0.000 1.192 1217 Y CB 2.028 40.448 38.460 -0.067 0.000 1.275 1217 Y HN 0.514 nan 8.280 nan 0.000 0.491 1218 T N -2.088 112.446 114.554 -0.033 0.000 3.056 1218 T HA 0.076 4.429 4.350 0.004 0.000 0.243 1218 T C -0.451 174.174 174.700 -0.125 0.000 0.995 1218 T CA 0.055 62.051 62.100 -0.173 0.000 1.091 1218 T CB -0.163 68.416 68.868 -0.483 0.000 0.990 1218 T HN 0.610 nan 8.240 nan 0.000 0.464 1219 D N 1.266 121.620 120.400 -0.077 0.000 2.264 1219 D HA 0.342 4.985 4.640 0.004 0.000 0.249 1219 D C 1.218 177.512 176.300 -0.010 0.000 1.070 1219 D CA -0.822 53.151 54.000 -0.045 0.000 0.912 1219 D CB 1.213 41.994 40.800 -0.032 0.000 1.193 1219 D HN -0.303 nan 8.370 nan 0.000 0.427 1220 R N 1.323 121.812 120.500 -0.019 0.000 2.082 1220 R HA -0.091 4.252 4.340 0.004 0.000 0.234 1220 R C 0.543 176.832 176.300 -0.019 0.000 1.136 1220 R CA 1.245 57.335 56.100 -0.016 0.000 0.935 1220 R CB -0.851 29.440 30.300 -0.015 0.000 0.842 1220 R HN 0.774 nan 8.270 nan 0.000 0.430 1221 S N 0.478 116.167 115.700 -0.018 0.000 2.661 1221 S HA 0.338 4.811 4.470 0.004 0.000 0.265 1221 S C 0.485 175.060 174.600 -0.042 0.000 1.225 1221 S CA -0.752 57.432 58.200 -0.027 0.000 0.986 1221 S CB 1.288 64.477 63.200 -0.019 0.000 1.008 1221 S HN 0.150 nan 8.310 nan 0.000 0.565 1222 R N 0.000 120.467 120.500 -0.054 0.000 2.786 1222 R HA 0.000 4.343 4.340 0.004 0.000 0.208 1222 R CA 0.000 56.048 56.100 -0.087 0.000 0.921 1222 R CB 0.000 30.252 30.300 -0.079 0.000 0.687 1222 R HN 0.000 nan 8.270 nan 0.000 0.535