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 3gto_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN 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 RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.281 176.300 -0.031 0.000 2.045 20 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 20 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 21 E N -0.761 119.416 120.200 -0.039 0.000 4.973 21 E HA -0.350 4.003 4.350 0.005 0.000 0.177 21 E C 0.874 177.423 176.600 -0.085 0.000 1.362 21 E CA 2.460 58.827 56.400 -0.056 0.000 2.199 21 E CB -1.712 27.965 29.700 -0.038 0.000 1.907 21 E HN 0.096 nan 8.360 nan 0.000 0.329 22 S N 1.583 117.244 115.700 -0.066 0.000 2.387 22 S HA 0.240 4.713 4.470 0.005 0.000 0.226 22 S C 1.153 175.703 174.600 -0.084 0.000 1.026 22 S CA 0.567 58.724 58.200 -0.073 0.000 0.972 22 S CB -0.198 62.974 63.200 -0.048 0.000 0.814 22 S HN 0.703 nan 8.310 nan 0.000 0.477 23 A N 2.993 125.772 122.820 -0.068 0.000 2.455 23 A HA 0.312 4.635 4.320 0.005 0.000 0.244 23 A C -2.011 175.527 177.584 -0.076 0.000 1.099 23 A CA -0.788 51.213 52.037 -0.061 0.000 0.786 23 A CB -0.539 18.437 19.000 -0.040 0.000 1.051 23 A HN 0.219 nan 8.150 nan 0.000 0.508 24 P HA 0.295 nan 4.420 nan 0.000 0.274 24 P C -0.507 176.749 177.300 -0.073 0.000 1.256 24 P CA -0.165 62.892 63.100 -0.073 0.000 0.795 24 P CB 0.484 32.154 31.700 -0.049 0.000 1.038 25 I N 0.431 120.942 120.570 -0.098 0.000 2.519 25 I HA 0.137 4.310 4.170 0.005 0.000 0.287 25 I C 1.160 177.244 176.117 -0.055 0.000 1.047 25 I CA -0.018 61.227 61.300 -0.092 0.000 1.381 25 I CB 0.990 38.885 38.000 -0.176 0.000 1.417 25 I HN 0.381 nan 8.210 nan 0.000 0.540 26 T N 2.351 116.896 114.554 -0.016 0.000 2.928 26 T HA 0.465 4.818 4.350 0.005 0.000 0.284 26 T C 1.059 175.781 174.700 0.037 0.000 1.008 26 T CA -0.341 61.769 62.100 0.016 0.000 1.057 26 T CB 1.839 70.730 68.868 0.039 0.000 1.018 26 T HN 0.664 nan 8.240 nan 0.000 0.493 27 A N 1.391 124.248 122.820 0.062 0.000 1.881 27 A HA -0.228 4.094 4.320 0.005 0.000 0.219 27 A C 2.281 179.942 177.584 0.128 0.000 1.215 27 A CA 2.058 54.157 52.037 0.103 0.000 0.648 27 A CB -1.229 17.858 19.000 0.146 0.000 0.832 27 A HN 0.960 nan 8.150 nan 0.000 0.455 28 E N 0.030 120.327 120.200 0.163 0.000 2.113 28 E HA -0.265 4.088 4.350 0.005 0.000 0.210 28 E C 1.592 178.316 176.600 0.206 0.000 1.040 28 E CA 1.867 58.398 56.400 0.220 0.000 0.847 28 E CB -0.578 29.223 29.700 0.170 0.000 0.755 28 E HN 0.620 nan 8.360 nan 0.000 0.459 29 D N -0.219 120.263 120.400 0.137 0.000 2.315 29 D HA -0.124 4.519 4.640 0.005 0.000 0.211 29 D C 1.926 178.319 176.300 0.155 0.000 0.977 29 D CA 1.209 55.290 54.000 0.136 0.000 0.894 29 D CB -0.202 40.648 40.800 0.083 0.000 0.910 29 D HN 0.240 nan 8.370 nan 0.000 0.490 30 S N -0.570 115.189 115.700 0.097 0.000 2.399 30 S HA -0.182 4.290 4.470 0.005 0.000 0.231 30 S C 1.900 176.463 174.600 -0.060 0.000 1.022 30 S CA 0.380 58.620 58.200 0.067 0.000 0.983 30 S CB -0.907 62.305 63.200 0.021 0.000 0.803 30 S HN 0.404 nan 8.310 nan 0.000 0.480 31 W N 2.142 123.477 121.300 0.059 0.000 2.392 31 W HA 0.167 4.830 4.660 0.005 0.000 0.279 31 W C 2.849 179.470 176.519 0.171 0.000 1.225 31 W CA 0.446 57.840 57.345 0.081 0.000 1.233 31 W CB -0.402 29.087 29.460 0.048 0.000 1.122 31 W HN 0.422 nan 8.180 nan 0.000 0.561 32 A N 0.077 123.112 122.820 0.358 0.000 1.865 32 A HA -0.204 4.119 4.320 0.005 0.000 0.217 32 A C 2.016 179.781 177.584 0.302 0.000 1.191 32 A CA 2.251 54.476 52.037 0.313 0.000 0.623 32 A CB -1.211 17.946 19.000 0.262 0.000 0.826 32 A HN 0.064 nan 8.150 nan 0.000 0.444 33 V N 0.948 121.036 119.914 0.291 0.000 2.287 33 V HA -0.304 3.819 4.120 0.005 0.000 0.248 33 V C 2.477 178.670 176.094 0.165 0.000 1.053 33 V CA 1.970 64.454 62.300 0.308 0.000 1.027 33 V CB -0.756 31.302 31.823 0.393 0.000 0.646 33 V HN 0.529 nan 8.190 nan 0.000 0.447 34 I N 0.045 120.640 120.570 0.042 0.000 2.052 34 I HA -0.294 3.879 4.170 0.005 0.000 0.235 34 I C 2.628 178.764 176.117 0.032 0.000 1.046 34 I CA 2.143 63.393 61.300 -0.084 0.000 1.308 34 I CB -1.400 36.620 38.000 0.033 0.000 1.031 34 I HN 0.299 nan 8.210 nan 0.000 0.395 35 S N 0.518 116.365 115.700 0.245 0.000 2.413 35 S HA -0.256 4.217 4.470 0.005 0.000 0.237 35 S C 2.070 176.823 174.600 0.255 0.000 1.044 35 S CA 1.721 60.134 58.200 0.355 0.000 1.024 35 S CB -0.372 63.125 63.200 0.494 0.000 0.829 35 S HN 0.617 nan 8.310 nan 0.000 0.475 36 A N 0.319 123.278 122.820 0.231 0.000 1.898 36 A HA 0.204 4.526 4.320 0.005 0.000 0.214 36 A C 0.882 178.552 177.584 0.143 0.000 1.183 36 A CA 0.232 52.410 52.037 0.234 0.000 0.622 36 A CB -0.510 18.682 19.000 0.319 0.000 0.824 36 A HN 0.434 nan 8.150 nan 0.000 0.444 37 F N -1.410 118.384 119.950 -0.260 0.000 2.586 37 F HA 0.260 4.790 4.527 0.005 0.000 0.335 37 F C 0.998 176.534 175.800 -0.440 0.000 1.210 37 F CA 1.232 58.722 58.000 -0.850 0.000 1.359 37 F CB 0.019 38.094 39.000 -1.542 0.000 1.142 37 F HN 0.439 nan 8.300 nan 0.000 0.606 38 F N -0.580 118.830 119.950 -0.900 0.000 2.544 38 F HA -0.454 4.076 4.527 0.005 0.000 0.702 38 F C 2.155 177.800 175.800 -0.260 0.000 0.487 38 F CA 1.461 59.176 58.000 -0.475 0.000 0.774 38 F CB -1.121 37.705 39.000 -0.292 0.000 1.639 38 F HN 0.444 nan 8.300 nan 0.000 0.268 39 R N 0.538 121.090 120.500 0.086 0.000 2.170 39 R HA -0.188 4.155 4.340 0.005 0.000 0.242 39 R C 1.681 177.980 176.300 -0.002 0.000 1.145 39 R CA 1.999 58.140 56.100 0.068 0.000 0.984 39 R CB -0.280 30.087 30.300 0.110 0.000 0.869 39 R HN 0.566 nan 8.270 nan 0.000 0.455 40 E N -0.003 120.139 120.200 -0.096 0.000 2.035 40 E HA -0.057 4.296 4.350 0.005 0.000 0.191 40 E C 1.716 178.211 176.600 -0.175 0.000 0.966 40 E CA 0.686 57.021 56.400 -0.108 0.000 0.823 40 E CB 0.229 29.888 29.700 -0.068 0.000 0.791 40 E HN 0.220 nan 8.360 nan 0.000 0.459 41 K N 0.194 120.354 120.400 -0.399 0.000 2.305 41 K HA 0.102 4.425 4.320 0.005 0.000 0.199 41 K C 1.195 177.679 176.600 -0.192 0.000 1.047 41 K CA 0.518 56.599 56.287 -0.343 0.000 0.976 41 K CB 0.536 32.673 32.500 -0.605 0.000 0.765 41 K HN 0.240 nan 8.250 nan 0.000 0.474 42 G N 1.711 110.435 108.800 -0.128 0.000 2.550 42 G HA2 -0.332 3.631 3.960 0.005 0.000 0.277 42 G HA3 -0.332 3.631 3.960 0.005 0.000 0.277 42 G C 0.401 175.361 174.900 0.099 0.000 1.190 42 G CA 0.119 45.232 45.100 0.023 0.000 0.971 42 G HN 0.212 nan 8.290 nan 0.000 0.559 43 L N 0.208 121.469 121.223 0.064 0.000 3.128 43 L HA 0.262 4.605 4.340 0.005 0.000 0.277 43 L C 1.829 178.729 176.870 0.050 0.000 1.171 43 L CA 0.897 55.788 54.840 0.085 0.000 1.008 43 L CB 1.110 43.203 42.059 0.057 0.000 1.442 43 L HN 0.727 nan 8.230 nan 0.000 0.584 44 V N -4.394 115.537 119.914 0.029 0.000 3.176 44 V HA 0.158 4.280 4.120 0.005 0.000 0.332 44 V C 1.948 178.051 176.094 0.015 0.000 1.414 44 V CA 0.422 62.734 62.300 0.020 0.000 1.133 44 V CB 0.031 31.866 31.823 0.020 0.000 1.088 44 V HN 0.345 nan 8.190 nan 0.000 0.473 45 S N 3.180 118.882 115.700 0.003 0.000 2.433 45 S HA -0.517 3.955 4.470 0.005 0.000 0.276 45 S C 2.015 176.630 174.600 0.026 0.000 1.122 45 S CA 3.272 61.469 58.200 -0.004 0.000 1.277 45 S CB -1.167 62.006 63.200 -0.044 0.000 1.198 45 S HN 0.904 nan 8.310 nan 0.000 0.440 46 Q N 0.507 120.323 119.800 0.027 0.000 2.084 46 Q HA -0.323 4.019 4.340 0.005 0.000 0.215 46 Q C 2.350 178.388 176.000 0.064 0.000 1.020 46 Q CA 2.032 57.862 55.803 0.045 0.000 0.887 46 Q CB -0.832 27.923 28.738 0.027 0.000 0.975 46 Q HN 0.611 nan 8.270 nan 0.000 0.413 47 Q N 0.731 120.563 119.800 0.054 0.000 2.045 47 Q HA -0.129 4.214 4.340 0.005 0.000 0.206 47 Q C 2.396 178.460 176.000 0.107 0.000 0.991 47 Q CA 1.835 57.683 55.803 0.074 0.000 0.851 47 Q CB -0.450 28.315 28.738 0.044 0.000 0.911 47 Q HN 0.543 nan 8.270 nan 0.000 0.418 48 L N 0.681 121.947 121.223 0.072 0.000 1.976 48 L HA -0.194 4.149 4.340 0.005 0.000 0.209 48 L C 2.183 179.126 176.870 0.121 0.000 1.071 48 L CA 1.213 56.110 54.840 0.095 0.000 0.746 48 L CB -0.799 41.289 42.059 0.047 0.000 0.890 48 L HN 0.144 nan 8.230 nan 0.000 0.432 49 D N -0.090 120.362 120.400 0.087 0.000 2.154 49 D HA -0.254 4.388 4.640 0.005 0.000 0.190 49 D C 2.307 178.664 176.300 0.095 0.000 1.003 49 D CA 2.090 56.139 54.000 0.082 0.000 0.849 49 D CB -0.054 40.796 40.800 0.084 0.000 0.942 49 D HN 0.232 nan 8.370 nan 0.000 0.446 50 S N -0.437 115.335 115.700 0.119 0.000 2.344 50 S HA -0.187 4.285 4.470 0.005 0.000 0.217 50 S C 1.890 176.609 174.600 0.198 0.000 1.033 50 S CA 0.907 59.190 58.200 0.139 0.000 1.017 50 S CB -0.613 62.671 63.200 0.140 0.000 0.941 50 S HN 0.238 nan 8.310 nan 0.000 0.430 51 F N 3.134 123.148 119.950 0.107 0.000 2.250 51 F HA -0.114 4.416 4.527 0.005 0.000 0.301 51 F C 1.983 177.892 175.800 0.181 0.000 1.077 51 F CA 1.563 59.657 58.000 0.158 0.000 1.348 51 F CB -0.463 38.606 39.000 0.115 0.000 1.040 51 F HN 0.280 nan 8.300 nan 0.000 0.509 52 N N 0.376 119.164 118.700 0.146 0.000 2.047 52 N HA -0.243 4.500 4.740 0.005 0.000 0.193 52 N C 1.828 177.335 175.510 -0.006 0.000 1.055 52 N CA 1.495 54.577 53.050 0.053 0.000 0.847 52 N CB -1.146 37.391 38.487 0.084 0.000 1.038 52 N HN 0.287 nan 8.380 nan 0.000 0.427 53 Q N 0.485 120.286 119.800 0.002 0.000 2.404 53 Q HA -0.161 4.182 4.340 0.005 0.000 0.214 53 Q C 1.599 177.597 176.000 -0.003 0.000 0.992 53 Q CA 1.117 56.891 55.803 -0.048 0.000 0.899 53 Q CB -0.462 28.224 28.738 -0.087 0.000 0.921 53 Q HN 0.421 nan 8.270 nan 0.000 0.453 54 F N -1.259 118.590 119.950 -0.169 0.000 2.049 54 F HA -0.084 4.446 4.527 0.005 0.000 0.288 54 F C 1.894 177.532 175.800 -0.271 0.000 1.141 54 F CA 1.440 59.302 58.000 -0.231 0.000 1.165 54 F CB -0.849 37.955 39.000 -0.326 0.000 1.012 54 F HN -0.075 nan 8.300 nan 0.000 0.475 55 V N 1.275 120.869 119.914 -0.533 0.000 2.231 55 V HA -0.397 3.726 4.120 0.005 0.000 0.250 55 V C 2.156 178.034 176.094 -0.359 0.000 1.058 55 V CA 2.544 64.524 62.300 -0.533 0.000 1.022 55 V CB -0.827 30.810 31.823 -0.309 0.000 0.640 55 V HN 0.383 nan 8.190 nan 0.000 0.445 56 D N -2.286 118.029 120.400 -0.140 0.000 2.182 56 D HA -0.124 4.519 4.640 0.005 0.000 0.201 56 D C 1.453 177.736 176.300 -0.028 0.000 0.986 56 D CA 1.627 55.629 54.000 0.003 0.000 0.847 56 D CB -0.023 40.916 40.800 0.232 0.000 0.942 56 D HN 0.614 nan 8.370 nan 0.000 0.467 57 Y N -0.876 119.276 120.300 -0.247 0.000 3.034 57 Y HA 0.086 4.639 4.550 0.005 0.000 0.139 57 Y C 2.398 178.123 175.900 -0.292 0.000 0.876 57 Y CA 0.189 58.161 58.100 -0.214 0.000 1.866 57 Y CB -0.732 37.647 38.460 -0.136 0.000 1.273 57 Y HN -0.269 nan 8.280 nan 0.000 0.317 58 T N 2.264 116.788 114.554 -0.050 0.000 2.719 58 T HA -0.353 4.000 4.350 0.005 0.000 0.254 58 T C 1.809 176.283 174.700 -0.377 0.000 1.106 58 T CA 2.485 64.487 62.100 -0.163 0.000 1.146 58 T CB -1.035 67.794 68.868 -0.066 0.000 0.839 58 T HN 0.248 nan 8.240 nan 0.000 0.473 59 L N 1.088 121.834 121.223 -0.794 0.000 2.043 59 L HA -0.152 4.190 4.340 0.005 0.000 0.212 59 L C 2.609 179.157 176.870 -0.538 0.000 1.075 59 L CA 2.178 56.448 54.840 -0.950 0.000 0.752 59 L CB -0.915 40.421 42.059 -1.205 0.000 0.891 59 L HN 0.253 nan 8.230 nan 0.000 0.432 60 Q N -0.143 119.414 119.800 -0.405 0.000 2.014 60 Q HA -0.255 4.088 4.340 0.005 0.000 0.207 60 Q C 1.830 177.708 176.000 -0.202 0.000 0.993 60 Q CA 2.549 58.182 55.803 -0.282 0.000 0.850 60 Q CB -0.477 28.107 28.738 -0.258 0.000 0.916 60 Q HN 0.603 nan 8.270 nan 0.000 0.417 61 D N -0.404 119.902 120.400 -0.157 0.000 2.149 61 D HA -0.147 4.496 4.640 0.005 0.000 0.198 61 D C 1.558 177.821 176.300 -0.060 0.000 0.990 61 D CA 1.076 55.027 54.000 -0.081 0.000 0.839 61 D CB -0.165 40.610 40.800 -0.042 0.000 0.948 61 D HN 0.309 nan 8.370 nan 0.000 0.460 62 I N 0.227 120.746 120.570 -0.085 0.000 2.676 62 I HA -0.099 4.074 4.170 0.005 0.000 0.259 62 I C 2.069 178.100 176.117 -0.143 0.000 1.194 62 I CA 0.355 61.639 61.300 -0.025 0.000 1.473 62 I CB -0.680 37.368 38.000 0.080 0.000 1.096 62 I HN 0.006 nan 8.210 nan 0.000 0.443 63 I N 0.895 121.305 120.570 -0.267 0.000 2.493 63 I HA -0.178 3.995 4.170 0.005 0.000 0.254 63 I C 1.056 177.145 176.117 -0.047 0.000 1.160 63 I CA 0.849 61.879 61.300 -0.449 0.000 1.445 63 I CB -0.009 37.779 38.000 -0.353 0.000 1.086 63 I HN 0.429 nan 8.210 nan 0.000 0.433 64 C N -0.052 119.266 119.300 0.028 0.000 2.978 64 C HA 0.679 5.142 4.460 0.005 0.000 0.274 64 C C 0.585 175.631 174.990 0.093 0.000 1.087 64 C CA -0.469 58.621 59.018 0.120 0.000 1.453 64 C CB 0.138 27.935 27.740 0.096 0.000 1.838 64 C HN 0.525 nan 8.230 nan 0.000 0.470 65 E N 2.129 122.404 120.200 0.126 0.000 3.566 65 E HA -0.027 4.326 4.350 0.005 0.000 0.241 65 E C 0.682 177.345 176.600 0.104 0.000 1.208 65 E CA 1.016 57.471 56.400 0.091 0.000 1.773 65 E CB -0.772 28.970 29.700 0.070 0.000 1.818 65 E HN 0.596 nan 8.360 nan 0.000 0.865 66 D N 1.994 122.476 120.400 0.137 0.000 2.369 66 D HA 0.038 4.681 4.640 0.005 0.000 0.211 66 D C 1.497 177.912 176.300 0.191 0.000 1.077 66 D CA 0.982 55.066 54.000 0.141 0.000 0.842 66 D CB 0.479 41.357 40.800 0.130 0.000 0.947 66 D HN 0.130 nan 8.370 nan 0.000 0.509 67 S N 0.135 115.988 115.700 0.255 0.000 2.490 67 S HA -0.273 4.200 4.470 0.005 0.000 0.291 67 S C 1.172 175.977 174.600 0.343 0.000 1.182 67 S CA 2.174 60.612 58.200 0.396 0.000 1.215 67 S CB -1.398 62.013 63.200 0.351 0.000 1.176 67 S HN 0.455 nan 8.310 nan 0.000 0.440 68 T N 0.911 115.556 114.554 0.152 0.000 2.849 68 T HA 0.649 5.002 4.350 0.005 0.000 0.284 68 T C -0.328 174.348 174.700 -0.040 0.000 1.004 68 T CA -0.414 61.692 62.100 0.009 0.000 1.021 68 T CB 0.366 69.228 68.868 -0.009 0.000 1.013 68 T HN 0.407 nan 8.240 nan 0.000 0.527 69 L N 2.068 123.202 121.223 -0.150 0.000 2.251 69 L HA 0.652 4.995 4.340 0.005 0.000 0.244 69 L C -0.630 176.089 176.870 -0.251 0.000 1.095 69 L CA -1.365 53.314 54.840 -0.269 0.000 0.910 69 L CB 1.587 43.387 42.059 -0.431 0.000 1.516 69 L HN 0.461 nan 8.230 nan 0.000 0.429 91 S N 3.596 119.011 115.700 -0.475 0.000 2.521 91 S HA 0.850 5.322 4.470 0.005 0.000 0.295 91 S C -0.834 173.512 174.600 -0.422 0.000 1.098 91 S CA -0.629 57.295 58.200 -0.460 0.000 0.999 91 S CB 2.050 65.141 63.200 -0.183 0.000 1.034 91 S HN 0.209 nan 8.310 nan 0.000 0.483 92 F N 1.690 121.675 119.950 0.059 0.000 2.394 92 F HA 0.700 5.230 4.527 0.005 0.000 0.340 92 F C 1.311 177.134 175.800 0.039 0.000 1.105 92 F CA -0.164 57.882 58.000 0.076 0.000 1.124 92 F CB 1.150 40.240 39.000 0.149 0.000 1.145 92 F HN 0.931 nan 8.300 nan 0.000 0.505 93 G N 1.435 110.351 108.800 0.194 0.000 3.410 93 G HA2 0.204 4.167 3.960 0.005 0.000 0.189 93 G HA3 0.204 4.167 3.960 0.005 0.000 0.189 93 G C -0.618 174.288 174.900 0.011 0.000 1.404 93 G CA -0.520 44.627 45.100 0.078 0.000 0.898 93 G HN 0.346 nan 8.290 nan 0.000 0.650 94 K N 0.516 120.876 120.400 -0.066 0.000 2.298 94 K HA 0.288 4.611 4.320 0.005 0.000 0.280 94 K C -1.067 175.339 176.600 -0.323 0.000 1.032 94 K CA -0.262 55.876 56.287 -0.249 0.000 0.958 94 K CB 1.107 33.382 32.500 -0.375 0.000 0.978 94 K HN 0.240 nan 8.250 nan 0.000 0.472 95 I N 4.644 125.009 120.570 -0.342 0.000 2.336 95 I HA 0.177 4.349 4.170 0.005 0.000 0.292 95 I C -1.129 174.811 176.117 -0.295 0.000 0.991 95 I CA -0.556 60.606 61.300 -0.230 0.000 1.227 95 I CB 0.484 38.385 38.000 -0.166 0.000 1.366 95 I HN 0.454 nan 8.210 nan 0.000 0.466 96 Y N 5.883 126.234 120.300 0.086 0.000 2.331 96 Y HA 0.578 5.131 4.550 0.005 0.000 0.338 96 Y C -0.283 175.712 175.900 0.160 0.000 0.992 96 Y CA -0.878 57.280 58.100 0.097 0.000 1.121 96 Y CB 1.514 40.039 38.460 0.109 0.000 1.184 96 Y HN 0.152 nan 8.280 nan 0.000 0.469 97 V N 2.560 122.616 119.914 0.237 0.000 2.513 97 V HA 0.476 4.599 4.120 0.005 0.000 0.299 97 V C -0.097 176.105 176.094 0.179 0.000 1.035 97 V CA -1.009 61.403 62.300 0.187 0.000 0.889 97 V CB 1.666 33.531 31.823 0.071 0.000 0.988 97 V HN 0.832 nan 8.190 nan 0.000 0.440 98 T N 2.570 117.242 114.554 0.197 0.000 2.918 98 T HA 0.371 4.724 4.350 0.005 0.000 0.283 98 T C -0.104 174.614 174.700 0.030 0.000 1.001 98 T CA -0.921 61.261 62.100 0.138 0.000 1.041 98 T CB 0.912 69.896 68.868 0.194 0.000 1.028 98 T HN 0.479 nan 8.240 nan 0.000 0.511 99 K N 2.600 122.999 120.400 -0.003 0.000 2.378 99 K HA 0.176 4.499 4.320 0.005 0.000 0.288 99 K C -2.393 174.117 176.600 -0.149 0.000 1.057 99 K CA -1.598 54.609 56.287 -0.133 0.000 0.971 99 K CB 0.205 32.706 32.500 0.003 0.000 0.975 99 K HN 0.364 nan 8.250 nan 0.000 0.475 100 P HA -0.200 nan 4.420 nan 0.000 0.266 100 P C -0.610 176.607 177.300 -0.139 0.000 1.126 100 P CA 1.312 64.185 63.100 -0.379 0.000 0.751 100 P CB 0.298 31.454 31.700 -0.906 0.000 0.719 101 M N 1.027 120.575 119.600 -0.086 0.000 2.664 101 M HA 0.617 5.100 4.480 0.005 0.000 0.279 101 M C -0.847 175.455 176.300 0.004 0.000 1.275 101 M CA -1.080 54.222 55.300 0.003 0.000 0.829 101 M CB 2.200 34.816 32.600 0.025 0.000 1.727 101 M HN -0.146 nan 8.290 nan 0.000 0.459 102 V N 0.808 120.750 119.914 0.047 0.000 2.841 102 V HA 0.468 4.591 4.120 0.005 0.000 0.310 102 V C -1.323 174.801 176.094 0.050 0.000 1.090 102 V CA -0.692 61.632 62.300 0.039 0.000 0.930 102 V CB 2.248 34.088 31.823 0.029 0.000 1.014 102 V HN 0.863 nan 8.190 nan 0.000 0.425 103 N N 2.869 121.588 118.700 0.031 0.000 2.800 103 N HA 0.254 4.997 4.740 0.005 0.000 0.240 103 N C -0.292 175.235 175.510 0.027 0.000 1.096 103 N CA -0.492 52.575 53.050 0.027 0.000 0.877 103 N CB 0.706 39.198 38.487 0.009 0.000 1.138 103 N HN 0.775 nan 8.380 nan 0.000 0.509 104 E N 1.099 121.323 120.200 0.039 0.000 2.166 104 E HA 0.118 4.471 4.350 0.005 0.000 0.279 104 E C -0.122 176.494 176.600 0.027 0.000 1.095 104 E CA -0.460 55.958 56.400 0.030 0.000 0.888 104 E CB 0.180 29.905 29.700 0.042 0.000 1.041 104 E HN 0.538 nan 8.360 nan 0.000 0.414 105 S N 3.162 118.871 115.700 0.015 0.000 2.571 105 S HA -0.157 4.316 4.470 0.005 0.000 0.298 105 S C 0.404 175.017 174.600 0.020 0.000 1.280 105 S CA 0.000 58.209 58.200 0.015 0.000 1.052 105 S CB 0.243 63.445 63.200 0.004 0.000 0.799 105 S HN 0.677 nan 8.310 nan 0.000 0.501 106 D N 0.909 121.321 120.400 0.021 0.000 2.697 106 D HA -0.064 4.579 4.640 0.005 0.000 0.235 106 D C 0.241 176.556 176.300 0.025 0.000 1.167 106 D CA 1.921 55.935 54.000 0.022 0.000 0.656 106 D CB -1.308 39.505 40.800 0.023 0.000 1.025 106 D HN 1.102 nan 8.370 nan 0.000 0.419 107 G N -2.577 106.238 108.800 0.025 0.000 2.570 107 G HA2 0.536 4.499 3.960 0.005 0.000 0.310 107 G HA3 0.536 4.499 3.960 0.005 0.000 0.310 107 G C -0.236 174.679 174.900 0.025 0.000 1.266 107 G CA -0.096 45.022 45.100 0.029 0.000 0.825 107 G HN 0.256 nan 8.290 nan 0.000 0.483 108 V N -0.496 119.437 119.914 0.031 0.000 3.596 108 V HA 0.581 4.704 4.120 0.005 0.000 0.288 108 V C 0.786 176.898 176.094 0.029 0.000 1.021 108 V CA -0.257 62.052 62.300 0.015 0.000 1.020 108 V CB 1.385 33.202 31.823 -0.010 0.000 1.243 108 V HN 0.674 nan 8.190 nan 0.000 0.433 109 T N 0.057 114.618 114.554 0.011 0.000 2.794 109 T HA 0.439 4.792 4.350 0.005 0.000 0.280 109 T C -0.793 173.931 174.700 0.041 0.000 0.987 109 T CA -0.029 62.089 62.100 0.029 0.000 0.993 109 T CB 0.193 69.060 68.868 -0.002 0.000 0.939 109 T HN 0.777 nan 8.240 nan 0.000 0.449 110 H N 1.070 120.145 119.070 0.009 0.000 2.529 110 H HA 0.639 5.198 4.556 0.005 0.000 0.348 110 H C -0.238 175.109 175.328 0.032 0.000 1.152 110 H CA -0.876 55.187 56.048 0.025 0.000 1.202 110 H CB 1.118 30.902 29.762 0.036 0.000 1.562 110 H HN 0.722 nan 8.280 nan 0.000 0.515 111 A N 4.748 127.750 122.820 0.302 0.000 2.539 111 A HA 0.225 4.548 4.320 0.005 0.000 0.306 111 A C -0.704 177.062 177.584 0.303 0.000 1.392 111 A CA -0.346 51.829 52.037 0.230 0.000 1.060 111 A CB -0.795 18.263 19.000 0.097 0.000 1.134 111 A HN 0.556 nan 8.150 nan 0.000 0.542 112 L N 3.572 124.899 121.223 0.172 0.000 2.281 112 L HA 0.523 4.866 4.340 0.005 0.000 0.285 112 L C -0.922 176.058 176.870 0.184 0.000 1.074 112 L CA 0.071 54.989 54.840 0.129 0.000 0.817 112 L CB 0.044 42.117 42.059 0.023 0.000 1.168 112 L HN 0.585 nan 8.230 nan 0.000 0.434 113 Y N 6.571 127.014 120.300 0.239 0.000 2.419 113 Y HA 0.423 4.976 4.550 0.005 0.000 0.328 113 Y C -1.364 174.742 175.900 0.343 0.000 1.162 113 Y CA -1.607 56.707 58.100 0.357 0.000 1.174 113 Y CB 0.743 39.305 38.460 0.171 0.000 1.228 113 Y HN 0.561 nan 8.280 nan 0.000 0.473 114 P HA -0.271 nan 4.420 nan 0.000 0.216 114 P C 1.224 178.599 177.300 0.125 0.000 1.157 114 P CA 1.625 64.769 63.100 0.074 0.000 0.880 114 P CB 0.449 32.059 31.700 -0.150 0.000 0.791 115 Q N 0.746 120.636 119.800 0.149 0.000 2.014 115 Q HA -0.226 4.117 4.340 0.005 0.000 0.207 115 Q C 2.354 178.419 176.000 0.108 0.000 0.993 115 Q CA 2.281 58.146 55.803 0.103 0.000 0.850 115 Q CB -1.219 27.562 28.738 0.072 0.000 0.916 115 Q HN 0.304 nan 8.270 nan 0.000 0.417 116 E N -0.949 119.325 120.200 0.122 0.000 2.114 116 E HA -0.298 4.055 4.350 0.005 0.000 0.199 116 E C 1.710 178.367 176.600 0.094 0.000 1.008 116 E CA 1.502 57.957 56.400 0.090 0.000 0.810 116 E CB -0.372 29.364 29.700 0.061 0.000 0.739 116 E HN 0.439 nan 8.360 nan 0.000 0.456 117 A N 1.080 123.979 122.820 0.131 0.000 1.865 117 A HA -0.229 4.094 4.320 0.005 0.000 0.217 117 A C 2.190 179.836 177.584 0.104 0.000 1.191 117 A CA 1.865 53.977 52.037 0.126 0.000 0.623 117 A CB -0.660 18.458 19.000 0.197 0.000 0.826 117 A HN 0.240 nan 8.150 nan 0.000 0.444 118 R N -1.228 119.337 120.500 0.108 0.000 2.211 118 R HA -0.108 4.235 4.340 0.005 0.000 0.240 118 R C 1.775 178.150 176.300 0.125 0.000 1.144 118 R CA 1.310 57.478 56.100 0.112 0.000 0.992 118 R CB -0.370 29.997 30.300 0.111 0.000 0.869 118 R HN 0.510 nan 8.270 nan 0.000 0.462 119 L N -0.145 121.154 121.223 0.126 0.000 2.189 119 L HA -0.014 4.328 4.340 0.005 0.000 0.199 119 L C 1.523 178.544 176.870 0.251 0.000 1.074 119 L CA 1.002 55.942 54.840 0.167 0.000 0.783 119 L CB 0.019 42.159 42.059 0.134 0.000 0.955 119 L HN 0.017 nan 8.230 nan 0.000 0.460 120 R N 0.246 120.829 120.500 0.138 0.000 2.752 120 R HA 0.211 4.554 4.340 0.005 0.000 0.279 120 R C -0.356 175.786 176.300 -0.263 0.000 1.212 120 R CA -0.065 56.029 56.100 -0.012 0.000 1.169 120 R CB -1.105 29.169 30.300 -0.043 0.000 1.286 120 R HN 0.301 nan 8.270 nan 0.000 0.564 121 N N 1.122 119.779 118.700 -0.072 0.000 2.714 121 N HA -0.191 4.552 4.740 0.005 0.000 0.252 121 N C -0.454 175.005 175.510 -0.085 0.000 1.014 121 N CA 0.034 53.040 53.050 -0.074 0.000 0.735 121 N CB -0.553 37.842 38.487 -0.152 0.000 0.924 121 N HN 0.372 nan 8.380 nan 0.000 0.540 122 L N -0.678 120.531 121.223 -0.023 0.000 2.770 122 L HA 0.480 4.822 4.340 0.005 0.000 0.229 122 L C 0.884 177.784 176.870 0.049 0.000 1.173 122 L CA -0.327 54.511 54.840 -0.003 0.000 0.871 122 L CB 0.921 42.988 42.059 0.012 0.000 1.682 122 L HN 0.004 nan 8.230 nan 0.000 0.523 123 T N -0.468 114.127 114.554 0.068 0.000 2.985 123 T HA 0.181 4.534 4.350 0.005 0.000 0.315 123 T C -0.872 173.907 174.700 0.132 0.000 1.001 123 T CA -0.300 61.864 62.100 0.107 0.000 1.016 123 T CB 0.158 69.079 68.868 0.088 0.000 0.993 123 T HN 0.236 nan 8.240 nan 0.000 0.454 124 Y N 4.692 125.011 120.300 0.032 0.000 2.783 124 Y HA 0.317 4.870 4.550 0.005 0.000 0.359 124 Y C 0.545 176.456 175.900 0.018 0.000 1.220 124 Y CA 0.292 58.394 58.100 0.003 0.000 1.649 124 Y CB -0.254 38.178 38.460 -0.046 0.000 1.273 124 Y HN 0.600 nan 8.280 nan 0.000 0.506 125 S N 2.637 118.266 115.700 -0.118 0.000 2.536 125 S HA 0.727 5.200 4.470 0.005 0.000 0.271 125 S C -0.738 173.814 174.600 -0.080 0.000 1.134 125 S CA -0.978 57.206 58.200 -0.025 0.000 0.897 125 S CB 1.276 64.527 63.200 0.085 0.000 1.094 125 S HN 0.447 nan 8.310 nan 0.000 0.473 126 S N 1.154 116.845 115.700 -0.014 0.000 2.707 126 S HA 0.810 5.283 4.470 0.005 0.000 0.276 126 S C 0.494 175.156 174.600 0.103 0.000 1.179 126 S CA -0.576 57.635 58.200 0.017 0.000 0.992 126 S CB 0.649 63.865 63.200 0.027 0.000 1.030 126 S HN 1.236 nan 8.310 nan 0.000 0.554 127 G N 0.666 109.552 108.800 0.143 0.000 2.343 127 G HA2 0.540 4.503 3.960 0.005 0.000 0.319 127 G HA3 0.540 4.503 3.960 0.005 0.000 0.319 127 G C -0.553 174.409 174.900 0.104 0.000 1.126 127 G CA -0.646 44.558 45.100 0.173 0.000 0.889 127 G HN 0.411 nan 8.290 nan 0.000 0.457 128 L N 1.334 122.569 121.223 0.019 0.000 2.436 128 L HA 0.534 4.877 4.340 0.005 0.000 0.265 128 L C -0.414 176.349 176.870 -0.178 0.000 1.168 128 L CA -0.012 54.832 54.840 0.007 0.000 0.815 128 L CB 0.332 42.405 42.059 0.023 0.000 1.109 128 L HN 0.398 nan 8.230 nan 0.000 0.462 129 F N 0.473 120.558 119.950 0.226 0.000 2.588 129 F HA 0.540 5.070 4.527 0.005 0.000 0.314 129 F C -0.022 175.924 175.800 0.243 0.000 1.134 129 F CA -0.720 57.440 58.000 0.268 0.000 0.961 129 F CB 2.097 41.267 39.000 0.283 0.000 1.239 129 F HN 0.073 nan 8.300 nan 0.000 0.448 130 V N 0.543 120.699 119.914 0.404 0.000 3.103 130 V HA 0.503 4.626 4.120 0.005 0.000 0.318 130 V C -1.108 175.181 176.094 0.324 0.000 1.114 130 V CA -0.866 61.608 62.300 0.290 0.000 1.020 130 V CB 2.214 34.197 31.823 0.267 0.000 1.085 130 V HN 0.509 nan 8.190 nan 0.000 0.446 131 D N 1.233 121.785 120.400 0.254 0.000 2.479 131 D HA 0.438 5.080 4.640 0.005 0.000 0.247 131 D C -0.385 176.021 176.300 0.176 0.000 1.119 131 D CA 0.023 54.154 54.000 0.218 0.000 0.922 131 D CB 1.153 42.063 40.800 0.183 0.000 1.014 131 D HN 0.270 nan 8.370 nan 0.000 0.510 132 V N 2.420 122.442 119.914 0.181 0.000 2.715 132 V HA 0.215 4.338 4.120 0.005 0.000 0.299 132 V C 0.818 176.912 176.094 0.001 0.000 1.054 132 V CA -0.060 62.287 62.300 0.079 0.000 1.077 132 V CB 1.081 32.967 31.823 0.105 0.000 0.972 132 V HN 0.243 nan 8.190 nan 0.000 0.484 133 K N 2.881 123.229 120.400 -0.087 0.000 2.316 133 K HA 0.613 4.936 4.320 0.005 0.000 0.234 133 K C -0.610 175.935 176.600 -0.091 0.000 1.054 133 K CA -1.127 55.119 56.287 -0.069 0.000 0.879 133 K CB 1.379 33.840 32.500 -0.064 0.000 1.252 133 K HN 0.452 nan 8.250 nan 0.000 0.471 165 V N 2.935 123.064 119.914 0.357 0.000 2.540 165 V HA 0.466 4.589 4.120 0.005 0.000 0.302 165 V C -0.996 175.387 176.094 0.481 0.000 1.035 165 V CA -0.755 61.769 62.300 0.374 0.000 0.873 165 V CB 1.367 33.344 31.823 0.256 0.000 0.992 165 V HN 0.253 nan 8.190 nan 0.000 0.428 166 F N 6.888 126.957 119.950 0.198 0.000 2.404 166 F HA 0.704 5.234 4.527 0.005 0.000 0.354 166 F C -0.605 175.104 175.800 -0.152 0.000 1.122 166 F CA -1.132 56.779 58.000 -0.147 0.000 1.080 166 F CB 0.722 39.661 39.000 -0.102 0.000 1.131 166 F HN 0.250 nan 8.300 nan 0.000 0.471 167 I N 6.234 126.369 120.570 -0.725 0.000 2.418 167 I HA 0.541 4.714 4.170 0.005 0.000 0.287 167 I C 0.627 176.298 176.117 -0.744 0.000 1.008 167 I CA -0.535 60.344 61.300 -0.703 0.000 1.104 167 I CB 0.515 38.371 38.000 -0.240 0.000 1.264 167 I HN 0.857 nan 8.210 nan 0.000 0.438 168 G N 6.847 115.173 108.800 -0.790 0.000 2.907 168 G HA2 -0.237 3.726 3.960 0.005 0.000 0.242 168 G HA3 -0.237 3.726 3.960 0.005 0.000 0.242 168 G C -0.305 174.564 174.900 -0.051 0.000 1.448 168 G CA -0.641 44.272 45.100 -0.311 0.000 0.911 168 G HN 0.728 nan 8.290 nan 0.000 0.553 169 R N -0.749 119.794 120.500 0.072 0.000 2.435 169 R HA 0.418 4.761 4.340 0.005 0.000 0.308 169 R C -0.718 175.676 176.300 0.157 0.000 0.975 169 R CA -0.932 55.252 56.100 0.140 0.000 0.867 169 R CB 1.803 32.187 30.300 0.140 0.000 1.171 169 R HN 0.506 nan 8.270 nan 0.000 0.470 170 L N 5.304 126.638 121.223 0.185 0.000 2.268 170 L HA 0.352 4.695 4.340 0.005 0.000 0.289 170 L C -2.375 174.663 176.870 0.279 0.000 1.064 170 L CA -1.694 53.298 54.840 0.253 0.000 0.824 170 L CB 0.706 42.933 42.059 0.281 0.000 1.202 170 L HN 0.339 nan 8.230 nan 0.000 0.433 171 P HA -0.065 nan 4.420 nan 0.000 0.260 171 P C -0.762 176.790 177.300 0.421 0.000 1.172 171 P CA 0.348 63.660 63.100 0.354 0.000 0.760 171 P CB 0.161 32.106 31.700 0.407 0.000 0.773 172 I N 4.791 125.497 120.570 0.227 0.000 2.325 172 I HA 0.205 4.377 4.170 0.005 0.000 0.291 172 I C 0.843 176.585 176.117 -0.625 0.000 1.019 172 I CA -0.954 60.342 61.300 -0.006 0.000 1.302 172 I CB 0.354 38.413 38.000 0.099 0.000 1.401 172 I HN 0.445 nan 8.210 nan 0.000 0.485 173 M N 6.969 125.592 119.600 -1.628 0.000 2.390 173 M HA -0.018 4.465 4.480 0.005 0.000 0.353 173 M C -0.584 175.138 176.300 -0.964 0.000 1.623 173 M CA -0.316 53.822 55.300 -1.937 0.000 1.065 173 M CB 0.176 31.565 32.600 -2.018 0.000 2.025 173 M HN 0.329 nan 8.290 nan 0.000 0.461 174 L N 6.553 127.217 121.223 -0.931 0.000 2.513 174 L HA 0.043 4.386 4.340 0.005 0.000 0.272 174 L C 1.047 177.627 176.870 -0.483 0.000 1.187 174 L CA 1.330 55.716 54.840 -0.757 0.000 0.895 174 L CB -0.110 41.298 42.059 -1.086 0.000 1.147 174 L HN 1.002 nan 8.230 nan 0.000 0.483 175 R N 0.898 121.214 120.500 -0.307 0.000 3.804 175 R HA -0.188 4.155 4.340 0.005 0.000 0.459 175 R C 0.939 177.174 176.300 -0.109 0.000 1.009 175 R CA 1.045 57.048 56.100 -0.162 0.000 1.210 175 R CB -1.700 28.521 30.300 -0.132 0.000 1.860 175 R HN 0.947 nan 8.270 nan 0.000 0.526 176 S N -0.507 115.111 115.700 -0.135 0.000 2.081 176 S HA 0.069 4.542 4.470 0.005 0.000 0.167 176 S C 1.254 175.880 174.600 0.043 0.000 1.409 176 S CA 0.771 58.964 58.200 -0.012 0.000 2.079 176 S CB 0.017 63.251 63.200 0.057 0.000 0.384 176 S HN 0.351 nan 8.310 nan 0.000 0.360 177 K N -0.178 120.284 120.400 0.104 0.000 2.387 177 K HA 0.367 4.690 4.320 0.005 0.000 0.197 177 K C 1.745 178.370 176.600 0.041 0.000 1.127 177 K CA 0.241 56.571 56.287 0.072 0.000 0.950 177 K CB -0.022 32.529 32.500 0.084 0.000 1.017 177 K HN 0.459 nan 8.250 nan 0.000 0.519 178 N N -0.466 118.266 118.700 0.053 0.000 2.424 178 N HA 0.004 4.747 4.740 0.005 0.000 0.178 178 N C -0.301 175.112 175.510 -0.162 0.000 1.060 178 N CA 0.110 53.147 53.050 -0.023 0.000 0.901 178 N CB 0.404 38.908 38.487 0.029 0.000 0.979 178 N HN 0.152 nan 8.380 nan 0.000 0.451 179 C N 0.075 119.314 119.300 -0.102 0.000 2.539 179 C HA 0.171 4.634 4.460 0.005 0.000 0.392 179 C C 1.687 176.597 174.990 -0.133 0.000 1.269 179 C CA -0.686 58.252 59.018 -0.132 0.000 2.250 179 C CB -0.661 27.055 27.740 -0.040 0.000 2.584 179 C HN 0.522 nan 8.230 nan 0.000 0.589 180 Y N 2.568 122.904 120.300 0.060 0.000 2.145 180 Y HA -0.111 4.442 4.550 0.005 0.000 0.286 180 Y C 2.179 178.117 175.900 0.063 0.000 1.145 180 Y CA 1.596 59.711 58.100 0.025 0.000 1.148 180 Y CB -0.311 38.113 38.460 -0.060 0.000 0.981 180 Y HN 0.619 nan 8.280 nan 0.000 0.507 181 L N 0.072 121.415 121.223 0.199 0.000 2.349 181 L HA -0.192 4.151 4.340 0.005 0.000 0.220 181 L C 2.062 178.968 176.870 0.060 0.000 1.130 181 L CA 1.276 56.184 54.840 0.112 0.000 0.791 181 L CB -0.860 41.222 42.059 0.038 0.000 0.918 181 L HN 0.251 nan 8.230 nan 0.000 0.444 182 S N -1.161 114.567 115.700 0.047 0.000 2.786 182 S HA 0.003 4.476 4.470 0.005 0.000 0.223 182 S C 0.958 175.584 174.600 0.042 0.000 0.956 182 S CA 0.416 58.632 58.200 0.026 0.000 0.961 182 S CB -0.045 63.160 63.200 0.010 0.000 0.784 182 S HN 0.517 nan 8.310 nan 0.000 0.519 183 E N -0.035 120.202 120.200 0.062 0.000 2.679 183 E HA 0.429 4.782 4.350 0.005 0.000 0.221 183 E C 0.355 176.987 176.600 0.052 0.000 0.928 183 E CA 0.235 56.670 56.400 0.058 0.000 1.296 183 E CB 0.807 30.552 29.700 0.074 0.000 1.235 183 E HN 0.535 nan 8.360 nan 0.000 0.622 184 A N 1.481 124.335 122.820 0.057 0.000 2.407 184 A HA 0.445 4.768 4.320 0.005 0.000 0.248 184 A C 0.783 178.380 177.584 0.022 0.000 1.082 184 A CA -0.017 52.050 52.037 0.051 0.000 0.785 184 A CB 0.023 19.062 19.000 0.067 0.000 1.020 184 A HN 0.154 nan 8.150 nan 0.000 0.489 185 T N -0.612 113.954 114.554 0.020 0.000 2.754 185 T HA 0.240 4.593 4.350 0.005 0.000 0.286 185 T C 0.943 175.642 174.700 -0.001 0.000 0.997 185 T CA 0.493 62.598 62.100 0.009 0.000 0.982 185 T CB 0.728 69.605 68.868 0.016 0.000 1.027 185 T HN 0.727 nan 8.240 nan 0.000 0.529 186 E N 0.331 120.531 120.200 -0.001 0.000 2.001 186 E HA -0.151 4.202 4.350 0.005 0.000 0.195 186 E C 2.367 179.020 176.600 0.088 0.000 1.002 186 E CA 1.552 57.950 56.400 -0.003 0.000 0.819 186 E CB -0.333 29.384 29.700 0.027 0.000 0.769 186 E HN 0.814 nan 8.360 nan 0.000 0.454 187 S N 1.117 116.906 115.700 0.147 0.000 2.440 187 S HA -0.213 4.260 4.470 0.005 0.000 0.240 187 S C 1.519 176.191 174.600 0.119 0.000 1.014 187 S CA 1.276 59.586 58.200 0.184 0.000 0.980 187 S CB -0.346 62.900 63.200 0.075 0.000 0.775 187 S HN 0.291 nan 8.310 nan 0.000 0.499 188 D N 1.691 122.126 120.400 0.059 0.000 2.092 188 D HA -0.047 4.596 4.640 0.005 0.000 0.193 188 D C 1.910 178.220 176.300 0.017 0.000 0.994 188 D CA 1.134 55.152 54.000 0.030 0.000 0.828 188 D CB -0.196 40.620 40.800 0.027 0.000 0.963 188 D HN 0.347 nan 8.370 nan 0.000 0.450 189 L N -0.138 121.075 121.223 -0.017 0.000 2.017 189 L HA -0.212 4.131 4.340 0.005 0.000 0.208 189 L C 2.550 179.378 176.870 -0.069 0.000 1.073 189 L CA 1.122 55.916 54.840 -0.076 0.000 0.745 189 L CB -0.636 41.313 42.059 -0.184 0.000 0.894 189 L HN 0.105 nan 8.230 nan 0.000 0.432 190 Y N 0.123 120.401 120.300 -0.037 0.000 2.139 190 Y HA -0.377 4.176 4.550 0.004 0.000 0.282 190 Y C 2.681 178.551 175.900 -0.051 0.000 1.179 190 Y CA 1.629 59.703 58.100 -0.044 0.000 1.161 190 Y CB -0.238 38.194 38.460 -0.047 0.000 0.970 190 Y HN 0.081 nan 8.280 nan 0.000 0.511 191 K N 0.090 120.550 120.400 0.099 0.000 2.057 191 K HA -0.169 4.154 4.320 0.005 0.000 0.207 191 K C 1.651 178.230 176.600 -0.034 0.000 1.049 191 K CA 1.322 57.618 56.287 0.015 0.000 0.931 191 K CB -0.304 32.185 32.500 -0.017 0.000 0.714 191 K HN 0.295 nan 8.250 nan 0.000 0.440 192 L N 0.494 121.687 121.223 -0.050 0.000 2.551 192 L HA -0.027 4.316 4.340 0.005 0.000 0.228 192 L C 0.119 176.969 176.870 -0.033 0.000 1.153 192 L CA 0.496 55.288 54.840 -0.080 0.000 0.851 192 L CB -0.207 41.819 42.059 -0.054 0.000 0.959 192 L HN 0.163 nan 8.230 nan 0.000 0.451 193 K N 0.087 120.476 120.400 -0.018 0.000 3.167 193 K HA -0.146 4.177 4.320 0.005 0.000 0.272 193 K C -0.243 176.344 176.600 -0.022 0.000 1.137 193 K CA 0.419 56.698 56.287 -0.013 0.000 0.800 193 K CB -1.048 31.444 32.500 -0.012 0.000 1.253 193 K HN 0.158 nan 8.250 nan 0.000 0.497 194 E N 0.510 120.683 120.200 -0.045 0.000 2.171 194 E HA 0.174 4.527 4.350 0.005 0.000 0.271 194 E C -0.425 176.098 176.600 -0.128 0.000 0.916 194 E CA -0.641 55.728 56.400 -0.051 0.000 0.774 194 E CB 1.694 31.381 29.700 -0.022 0.000 1.128 194 E HN 0.293 nan 8.360 nan 0.000 0.403 195 C N 5.183 124.434 119.300 -0.082 0.000 2.662 195 C HA 0.164 4.627 4.460 0.005 0.000 0.420 195 C C -1.186 173.718 174.990 -0.144 0.000 1.314 195 C CA -1.246 57.713 59.018 -0.098 0.000 1.963 195 C CB -0.078 27.670 27.740 0.014 0.000 2.686 195 C HN 0.565 nan 8.230 nan 0.000 0.609 196 P HA 0.086 nan 4.420 nan 0.000 0.235 196 P C 0.844 177.940 177.300 -0.339 0.000 1.177 196 P CA 1.080 63.955 63.100 -0.376 0.000 0.785 196 P CB -0.011 31.335 31.700 -0.589 0.000 0.885 197 F N -0.026 119.879 119.950 -0.076 0.000 2.293 197 F HA 0.031 4.561 4.527 0.005 0.000 0.297 197 F C 1.061 176.936 175.800 0.125 0.000 1.089 197 F CA 0.225 58.230 58.000 0.009 0.000 1.377 197 F CB -1.043 37.916 39.000 -0.069 0.000 1.051 197 F HN -0.141 nan 8.300 nan 0.000 0.511 198 D N 1.413 121.966 120.400 0.255 0.000 2.586 198 D HA -0.094 4.548 4.640 0.005 0.000 0.234 198 D C 1.182 177.567 176.300 0.143 0.000 1.132 198 D CA 0.286 54.399 54.000 0.190 0.000 0.860 198 D CB 0.549 41.431 40.800 0.137 0.000 1.159 198 D HN 0.078 nan 8.370 nan 0.000 0.490 199 M N 2.336 122.021 119.600 0.142 0.000 2.371 199 M HA 0.291 4.773 4.480 0.005 0.000 0.246 199 M C 0.969 177.328 176.300 0.098 0.000 1.103 199 M CA 0.454 55.815 55.300 0.102 0.000 1.010 199 M CB -0.921 31.729 32.600 0.084 0.000 1.457 199 M HN 0.387 nan 8.290 nan 0.000 0.486 200 G N 1.260 110.182 108.800 0.203 0.000 2.601 200 G HA2 0.027 3.990 3.960 0.005 0.000 0.261 200 G HA3 0.027 3.990 3.960 0.005 0.000 0.261 200 G C 0.669 175.699 174.900 0.218 0.000 1.289 200 G CA 0.976 46.187 45.100 0.185 0.000 0.920 200 G HN 1.573 nan 8.290 nan 0.000 0.571 201 G N -3.254 105.546 108.800 -0.000 0.000 2.232 201 G HA2 0.042 4.005 3.960 0.005 0.000 0.226 201 G HA3 0.042 4.005 3.960 0.005 0.000 0.226 201 G C 0.570 175.486 174.900 0.027 0.000 0.996 201 G CA 1.331 46.431 45.100 0.000 0.000 0.626 201 G HN 2.251 nan 8.290 nan 0.000 0.509 202 Y N -0.910 119.283 120.300 -0.177 0.000 2.534 202 Y HA 0.848 5.401 4.550 0.005 0.000 0.338 202 Y C 0.332 176.077 175.900 -0.260 0.000 1.279 202 Y CA -1.801 56.258 58.100 -0.068 0.000 1.436 202 Y CB 0.609 39.062 38.460 -0.010 0.000 1.573 202 Y HN -0.006 nan 8.280 nan 0.000 0.567 203 F N -0.332 119.592 119.950 -0.044 0.000 2.654 203 F HA 0.628 5.157 4.527 0.005 0.000 0.334 203 F C -1.151 174.626 175.800 -0.039 0.000 1.078 203 F CA -1.285 56.636 58.000 -0.131 0.000 0.986 203 F CB 1.744 40.717 39.000 -0.045 0.000 1.362 203 F HN 0.168 nan 8.300 nan 0.000 0.498 204 I N 3.441 124.115 120.570 0.172 0.000 2.468 204 I HA 0.415 4.588 4.170 0.005 0.000 0.284 204 I C -1.226 174.999 176.117 0.180 0.000 1.038 204 I CA -0.300 61.087 61.300 0.144 0.000 1.083 204 I CB 1.329 39.363 38.000 0.056 0.000 1.223 204 I HN 0.166 nan 8.210 nan 0.000 0.443 205 I N 5.317 125.979 120.570 0.155 0.000 2.619 205 I HA 0.331 4.504 4.170 0.005 0.000 0.292 205 I C 0.185 176.357 176.117 0.091 0.000 1.100 205 I CA -0.717 60.658 61.300 0.125 0.000 1.043 205 I CB 1.835 39.905 38.000 0.117 0.000 1.239 205 I HN 0.548 nan 8.210 nan 0.000 0.420 206 N N 4.580 123.320 118.700 0.067 0.000 2.701 206 N HA -0.244 4.499 4.740 0.005 0.000 0.252 206 N C 1.240 176.783 175.510 0.055 0.000 1.002 206 N CA 1.294 54.368 53.050 0.040 0.000 0.758 206 N CB -0.653 37.850 38.487 0.027 0.000 0.937 206 N HN 1.182 nan 8.380 nan 0.000 0.538 207 G N -1.504 107.339 108.800 0.071 0.000 2.284 207 G HA2 -0.361 3.602 3.960 0.005 0.000 0.261 207 G HA3 -0.361 3.602 3.960 0.005 0.000 0.261 207 G C 0.147 175.110 174.900 0.105 0.000 0.997 207 G CA 0.899 46.053 45.100 0.091 0.000 0.621 207 G HN 1.269 nan 8.290 nan 0.000 0.534 208 S N 0.396 116.156 115.700 0.100 0.000 2.508 208 S HA 0.633 5.105 4.470 0.005 0.000 0.284 208 S C -0.111 174.572 174.600 0.139 0.000 1.192 208 S CA -0.359 57.903 58.200 0.103 0.000 1.070 208 S CB 1.822 65.068 63.200 0.077 0.000 1.004 208 S HN 0.420 nan 8.310 nan 0.000 0.493 209 E N 2.566 122.861 120.200 0.157 0.000 2.324 209 E HA 0.210 4.563 4.350 0.005 0.000 0.271 209 E C -0.281 176.444 176.600 0.209 0.000 1.028 209 E CA -0.160 56.392 56.400 0.253 0.000 0.890 209 E CB 0.530 30.351 29.700 0.201 0.000 1.004 209 E HN 0.434 nan 8.360 nan 0.000 0.431 210 K N 2.122 122.688 120.400 0.278 0.000 2.324 210 K HA 0.418 4.741 4.320 0.005 0.000 0.253 210 K C -0.765 175.977 176.600 0.237 0.000 0.932 210 K CA -0.812 55.596 56.287 0.202 0.000 0.799 210 K CB 2.246 34.834 32.500 0.146 0.000 1.154 210 K HN 0.218 nan 8.250 nan 0.000 0.425 211 V N 3.318 123.304 119.914 0.119 0.000 2.612 211 V HA 0.431 4.554 4.120 0.005 0.000 0.301 211 V C 0.209 176.268 176.094 -0.060 0.000 1.046 211 V CA -1.017 61.311 62.300 0.047 0.000 0.946 211 V CB 1.588 33.325 31.823 -0.142 0.000 1.003 211 V HN 0.550 nan 8.190 nan 0.000 0.459 212 L N 4.548 125.729 121.223 -0.071 0.000 2.264 212 L HA 0.510 4.852 4.340 0.005 0.000 0.289 212 L C -0.363 176.388 176.870 -0.198 0.000 1.044 212 L CA -0.153 54.561 54.840 -0.209 0.000 0.807 212 L CB 1.171 43.098 42.059 -0.219 0.000 1.192 212 L HN 0.474 nan 8.230 nan 0.000 0.425 213 I N 3.459 123.884 120.570 -0.242 0.000 2.342 213 I HA 0.249 4.422 4.170 0.005 0.000 0.291 213 I C 0.803 176.814 176.117 -0.177 0.000 1.010 213 I CA -0.462 60.716 61.300 -0.202 0.000 1.308 213 I CB 1.618 39.511 38.000 -0.178 0.000 1.400 213 I HN 0.656 nan 8.210 nan 0.000 0.488 214 A N 7.317 130.066 122.820 -0.120 0.000 2.566 214 A HA 0.064 4.387 4.320 0.005 0.000 0.245 214 A C 0.228 177.763 177.584 -0.081 0.000 1.056 214 A CA -0.137 51.849 52.037 -0.086 0.000 0.757 214 A CB -0.066 18.910 19.000 -0.039 0.000 0.979 214 A HN 0.646 nan 8.150 nan 0.000 0.508 215 Q N 1.002 120.748 119.800 -0.089 0.000 2.317 215 Q HA 0.404 4.746 4.340 0.005 0.000 0.229 215 Q C 0.033 176.021 176.000 -0.021 0.000 0.984 215 Q CA 0.073 55.841 55.803 -0.058 0.000 0.911 215 Q CB 1.113 29.812 28.738 -0.064 0.000 1.217 215 Q HN 0.847 nan 8.270 nan 0.000 0.501 216 E N 0.876 121.075 120.200 -0.001 0.000 2.263 216 E HA 0.461 4.814 4.350 0.005 0.000 0.268 216 E C -1.274 175.335 176.600 0.014 0.000 0.884 216 E CA -0.562 55.847 56.400 0.016 0.000 0.766 216 E CB 1.419 31.155 29.700 0.060 0.000 1.196 216 E HN 0.600 nan 8.360 nan 0.000 0.416 217 R N 1.600 122.101 120.500 0.001 0.000 2.771 217 R HA 0.485 4.828 4.340 0.005 0.000 0.274 217 R C -0.690 175.605 176.300 -0.008 0.000 0.987 217 R CA -0.902 55.201 56.100 0.004 0.000 0.908 217 R CB 1.659 31.962 30.300 0.005 0.000 1.213 217 R HN 0.306 nan 8.270 nan 0.000 0.468 218 S N 1.049 116.752 115.700 0.005 0.000 2.558 218 S HA 0.271 4.744 4.470 0.005 0.000 0.288 218 S C 0.406 174.995 174.600 -0.019 0.000 1.318 218 S CA 0.080 58.279 58.200 -0.000 0.000 1.056 218 S CB 0.149 63.366 63.200 0.028 0.000 0.853 218 S HN 0.709 nan 8.310 nan 0.000 0.505 219 A N 3.997 126.788 122.820 -0.048 0.000 2.386 219 A HA 0.611 4.934 4.320 0.005 0.000 0.246 219 A C 0.846 178.411 177.584 -0.031 0.000 1.089 219 A CA 0.044 52.043 52.037 -0.064 0.000 0.790 219 A CB -0.290 18.634 19.000 -0.127 0.000 1.042 219 A HN 1.085 nan 8.150 nan 0.000 0.497 220 G N -1.196 107.587 108.800 -0.029 0.000 2.521 220 G HA2 0.447 4.410 3.960 0.005 0.000 0.323 220 G HA3 0.447 4.410 3.960 0.005 0.000 0.323 220 G C -0.073 174.809 174.900 -0.031 0.000 1.211 220 G CA -0.238 44.845 45.100 -0.028 0.000 0.979 220 G HN 0.962 nan 8.290 nan 0.000 0.490 221 N N -1.813 116.832 118.700 -0.091 0.000 2.741 221 N HA -0.167 4.576 4.740 0.005 0.000 0.250 221 N C -0.251 175.285 175.510 0.044 0.000 1.115 221 N CA 1.407 54.364 53.050 -0.154 0.000 0.724 221 N CB -1.571 36.775 38.487 -0.235 0.000 1.090 221 N HN 0.684 nan 8.380 nan 0.000 0.558 222 I N -3.034 117.568 120.570 0.053 0.000 2.465 222 I HA 0.443 4.616 4.170 0.005 0.000 0.291 222 I C 0.618 176.757 176.117 0.037 0.000 1.014 222 I CA -1.417 59.928 61.300 0.075 0.000 1.093 222 I CB 1.957 39.989 38.000 0.054 0.000 1.267 222 I HN -0.184 nan 8.210 nan 0.000 0.431 223 V N 6.389 126.332 119.914 0.048 0.000 2.540 223 V HA 0.151 4.274 4.120 0.005 0.000 0.297 223 V C -0.247 175.756 176.094 -0.152 0.000 1.024 223 V CA 0.876 63.150 62.300 -0.043 0.000 1.105 223 V CB 0.610 32.419 31.823 -0.024 0.000 0.938 223 V HN 0.915 nan 8.190 nan 0.000 0.482 224 Q N 4.751 124.393 119.800 -0.262 0.000 2.309 224 Q HA 0.579 4.922 4.340 0.005 0.000 0.273 224 Q C -1.356 174.260 176.000 -0.641 0.000 1.040 224 Q CA -0.777 54.742 55.803 -0.473 0.000 0.834 224 Q CB 2.615 30.978 28.738 -0.625 0.000 1.345 224 Q HN 0.688 nan 8.270 nan 0.000 0.414 225 V N 0.827 120.409 119.914 -0.553 0.000 2.612 225 V HA 0.596 4.719 4.120 0.005 0.000 0.301 225 V C -0.572 175.300 176.094 -0.370 0.000 1.046 225 V CA -0.563 61.509 62.300 -0.380 0.000 0.946 225 V CB 1.030 32.757 31.823 -0.158 0.000 1.003 225 V HN 0.703 nan 8.190 nan 0.000 0.459 226 F N 1.626 121.612 119.950 0.061 0.000 2.959 226 F HA 0.356 4.886 4.527 0.005 0.000 0.379 226 F C 0.561 176.381 175.800 0.033 0.000 1.215 226 F CA -1.022 57.003 58.000 0.042 0.000 1.190 226 F CB 1.398 40.409 39.000 0.019 0.000 1.574 226 F HN 0.414 nan 8.300 nan 0.000 0.575 227 K N 3.942 124.484 120.400 0.236 0.000 2.441 227 K HA -0.021 4.302 4.320 0.005 0.000 0.273 227 K C -0.126 176.464 176.600 -0.017 0.000 1.090 227 K CA 0.671 56.973 56.287 0.025 0.000 1.158 227 K CB 0.491 33.010 32.500 0.031 0.000 0.847 227 K HN 0.549 nan 8.250 nan 0.000 0.483 228 K N 1.761 122.106 120.400 -0.092 0.000 2.159 228 K HA 0.290 4.612 4.320 0.005 0.000 0.266 228 K C 0.158 176.702 176.600 -0.093 0.000 0.975 228 K CA -0.536 55.710 56.287 -0.070 0.000 0.865 228 K CB 1.624 34.093 32.500 -0.051 0.000 1.087 228 K HN 0.675 nan 8.250 nan 0.000 0.446 229 A N 1.824 124.603 122.820 -0.070 0.000 2.715 229 A HA -0.123 4.199 4.320 0.005 0.000 0.255 229 A C 1.169 178.714 177.584 -0.064 0.000 1.299 229 A CA 1.366 53.366 52.037 -0.061 0.000 1.119 229 A CB -0.244 18.725 19.000 -0.052 0.000 1.104 229 A HN 0.933 nan 8.150 nan 0.000 0.536 230 A N -0.143 122.647 122.820 -0.049 0.000 1.984 230 A HA 0.190 4.513 4.320 0.005 0.000 0.214 230 A C 0.038 177.598 177.584 -0.041 0.000 1.173 230 A CA 1.177 53.188 52.037 -0.043 0.000 0.673 230 A CB -1.024 17.957 19.000 -0.031 0.000 0.830 230 A HN 0.725 nan 8.150 nan 0.000 0.453 231 P HA 0.075 nan 4.420 nan 0.000 0.253 231 P C 0.228 177.500 177.300 -0.047 0.000 1.260 231 P CA 0.608 63.686 63.100 -0.037 0.000 0.800 231 P CB -0.239 31.443 31.700 -0.031 0.000 1.162 232 S N 0.830 116.494 115.700 -0.061 0.000 2.554 232 S HA 0.373 4.846 4.470 0.005 0.000 0.278 232 S C -1.122 173.414 174.600 -0.107 0.000 1.242 232 S CA -1.193 56.957 58.200 -0.084 0.000 1.051 232 S CB 1.362 64.510 63.200 -0.088 0.000 0.986 232 S HN -0.140 nan 8.310 nan 0.000 0.502 233 P HA -0.009 nan 4.420 nan 0.000 0.216 233 P C 0.282 177.435 177.300 -0.245 0.000 1.150 233 P CA 0.897 63.869 63.100 -0.213 0.000 0.837 233 P CB -0.200 31.293 31.700 -0.345 0.000 0.786 234 I N 0.481 120.898 120.570 -0.254 0.000 2.396 234 I HA 0.103 4.276 4.170 0.005 0.000 0.292 234 I C 1.800 177.850 176.117 -0.112 0.000 0.999 234 I CA -0.311 60.876 61.300 -0.188 0.000 1.310 234 I CB 0.805 38.713 38.000 -0.153 0.000 1.404 234 I HN -0.017 nan 8.210 nan 0.000 0.496 235 S N 5.003 120.658 115.700 -0.076 0.000 2.452 235 S HA 0.136 4.609 4.470 0.005 0.000 0.225 235 S C 0.562 174.921 174.600 -0.403 0.000 1.057 235 S CA 0.301 58.382 58.200 -0.198 0.000 0.949 235 S CB 0.107 63.239 63.200 -0.113 0.000 0.836 235 S HN 0.698 nan 8.310 nan 0.000 0.518 236 H N -0.080 119.010 119.070 0.034 0.000 2.717 236 H HA 0.718 5.276 4.556 0.005 0.000 0.366 236 H C -1.547 173.813 175.328 0.054 0.000 1.132 236 H CA -0.648 55.426 56.048 0.043 0.000 1.180 236 H CB 2.121 31.897 29.762 0.023 0.000 1.678 236 H HN 0.121 nan 8.280 nan 0.000 0.537 237 V N 1.242 121.263 119.914 0.179 0.000 2.709 237 V HA 0.535 4.658 4.120 0.005 0.000 0.308 237 V C -0.291 175.846 176.094 0.072 0.000 1.062 237 V CA -0.879 61.501 62.300 0.133 0.000 0.901 237 V CB 1.790 33.698 31.823 0.143 0.000 1.003 237 V HN 0.926 nan 8.190 nan 0.000 0.425 238 A N 3.528 126.360 122.820 0.021 0.000 2.273 238 A HA 0.763 5.086 4.320 0.005 0.000 0.315 238 A C -0.389 177.170 177.584 -0.042 0.000 1.256 238 A CA -0.453 51.540 52.037 -0.073 0.000 0.851 238 A CB 0.607 19.554 19.000 -0.089 0.000 1.172 238 A HN 0.836 nan 8.150 nan 0.000 0.508 239 E N 1.289 121.437 120.200 -0.086 0.000 2.202 239 E HA 0.657 5.010 4.350 0.005 0.000 0.272 239 E C -1.433 175.162 176.600 -0.008 0.000 0.951 239 E CA -0.551 55.851 56.400 0.005 0.000 0.813 239 E CB 2.085 31.847 29.700 0.102 0.000 1.151 239 E HN 0.657 nan 8.360 nan 0.000 0.398 240 I N 2.397 122.991 120.570 0.040 0.000 2.563 240 I HA 0.282 4.455 4.170 0.005 0.000 0.285 240 I C -1.116 175.026 176.117 0.042 0.000 1.123 240 I CA -0.504 60.830 61.300 0.056 0.000 1.059 240 I CB 0.923 38.999 38.000 0.126 0.000 1.229 240 I HN 0.393 nan 8.210 nan 0.000 0.442 241 R N 5.096 125.609 120.500 0.021 0.000 2.325 241 R HA 0.270 4.613 4.340 0.005 0.000 0.323 241 R C -0.284 175.984 176.300 -0.052 0.000 1.177 241 R CA -0.128 55.974 56.100 0.003 0.000 1.018 241 R CB 0.513 30.820 30.300 0.012 0.000 1.070 241 R HN 0.678 nan 8.270 nan 0.000 0.495 242 S N 1.439 117.108 115.700 -0.050 0.000 2.429 242 S HA 0.756 5.229 4.470 0.005 0.000 0.302 242 S C -0.377 174.201 174.600 -0.037 0.000 1.115 242 S CA -0.779 57.343 58.200 -0.129 0.000 1.095 242 S CB 2.076 65.256 63.200 -0.034 0.000 0.987 242 S HN 0.565 nan 8.310 nan 0.000 0.474 243 A N 3.198 125.983 122.820 -0.058 0.000 2.594 243 A HA 0.698 5.020 4.320 0.005 0.000 0.295 243 A C -0.961 176.634 177.584 0.018 0.000 1.071 243 A CA -1.098 50.952 52.037 0.022 0.000 0.685 243 A CB 0.887 19.913 19.000 0.043 0.000 1.285 243 A HN 0.846 nan 8.150 nan 0.000 0.405 244 L N 1.153 122.400 121.223 0.041 0.000 2.349 244 L HA 0.378 4.720 4.340 0.005 0.000 0.275 244 L C 1.625 178.514 176.870 0.031 0.000 1.115 244 L CA -0.151 54.707 54.840 0.031 0.000 0.820 244 L CB 0.590 42.652 42.059 0.004 0.000 1.135 244 L HN 1.020 nan 8.230 nan 0.000 0.445 245 E N 2.471 122.691 120.200 0.032 0.000 2.204 245 E HA -0.184 4.169 4.350 0.005 0.000 0.194 245 E C 0.246 176.868 176.600 0.036 0.000 0.989 245 E CA 1.213 57.634 56.400 0.035 0.000 0.824 245 E CB 0.015 29.737 29.700 0.037 0.000 0.756 245 E HN 0.703 nan 8.360 nan 0.000 0.477 246 K N -0.098 120.320 120.400 0.029 0.000 3.084 246 K HA 0.555 4.878 4.320 0.005 0.000 0.172 246 K C -0.578 176.037 176.600 0.025 0.000 1.078 246 K CA -0.446 55.859 56.287 0.031 0.000 0.875 246 K CB 1.203 33.719 32.500 0.027 0.000 1.064 246 K HN 0.138 nan 8.250 nan 0.000 0.597 247 G N 0.230 109.048 108.800 0.030 0.000 2.093 247 G HA2 0.348 4.311 3.960 0.005 0.000 0.298 247 G HA3 0.348 4.311 3.960 0.005 0.000 0.298 247 G C -0.436 174.478 174.900 0.022 0.000 1.713 247 G CA -0.035 45.076 45.100 0.018 0.000 0.907 247 G HN 0.359 nan 8.290 nan 0.000 0.702 248 S N -0.083 115.658 115.700 0.068 0.000 4.001 248 S HA -0.209 4.264 4.470 0.005 0.000 0.628 248 S C 0.745 175.450 174.600 0.175 0.000 2.073 248 S CA 1.965 60.248 58.200 0.138 0.000 3.995 248 S CB -0.681 62.591 63.200 0.119 0.000 0.226 248 S HN 2.257 nan 8.310 nan 0.000 0.729 249 R N -0.035 120.631 120.500 0.278 0.000 2.447 249 R HA 0.275 4.618 4.340 0.005 0.000 0.153 249 R C -1.412 175.047 176.300 0.265 0.000 1.142 249 R CA 0.080 56.307 56.100 0.211 0.000 0.926 249 R CB -1.014 29.366 30.300 0.132 0.000 1.295 249 R HN 0.376 nan 8.270 nan 0.000 0.683 250 F N 2.770 122.734 119.950 0.024 0.000 2.677 250 F HA 0.210 4.740 4.527 0.005 0.000 0.358 250 F C 0.715 176.513 175.800 -0.003 0.000 1.266 250 F CA -0.384 57.623 58.000 0.012 0.000 1.262 250 F CB 0.352 39.364 39.000 0.020 0.000 1.684 250 F HN 0.118 nan 8.300 nan 0.000 0.671 251 I N 1.880 122.497 120.570 0.079 0.000 2.455 251 I HA -0.069 4.104 4.170 0.005 0.000 0.303 251 I C 0.766 176.883 176.117 0.000 0.000 1.180 251 I CA 0.492 61.815 61.300 0.038 0.000 1.469 251 I CB -0.689 37.323 38.000 0.020 0.000 1.480 251 I HN 0.228 nan 8.210 nan 0.000 0.669 252 S N 5.358 121.075 115.700 0.028 0.000 2.489 252 S HA 0.486 4.959 4.470 0.005 0.000 0.277 252 S C 0.265 174.875 174.600 0.018 0.000 1.230 252 S CA -0.437 57.766 58.200 0.004 0.000 1.053 252 S CB 0.415 63.636 63.200 0.036 0.000 0.955 252 S HN 0.682 nan 8.310 nan 0.000 0.488 253 T N 3.840 118.402 114.554 0.013 0.000 2.809 253 T HA 0.594 4.947 4.350 0.005 0.000 0.284 253 T C -0.674 174.053 174.700 0.045 0.000 0.992 253 T CA -0.791 61.328 62.100 0.031 0.000 0.957 253 T CB 1.133 70.019 68.868 0.031 0.000 0.942 253 T HN 0.493 nan 8.240 nan 0.000 0.439 254 L N 2.488 123.745 121.223 0.057 0.000 2.322 254 L HA 0.585 4.928 4.340 0.005 0.000 0.279 254 L C -0.482 176.434 176.870 0.077 0.000 1.036 254 L CA -0.288 54.596 54.840 0.074 0.000 0.807 254 L CB 1.735 43.833 42.059 0.066 0.000 1.226 254 L HN 0.758 nan 8.230 nan 0.000 0.433 255 Q N 3.391 123.244 119.800 0.088 0.000 2.340 255 Q HA 0.529 4.872 4.340 0.005 0.000 0.268 255 Q C -1.441 174.616 176.000 0.096 0.000 1.031 255 Q CA -0.822 55.034 55.803 0.089 0.000 0.804 255 Q CB 2.717 31.512 28.738 0.094 0.000 1.286 255 Q HN 0.464 nan 8.270 nan 0.000 0.448 256 V N 3.470 123.434 119.914 0.083 0.000 2.257 256 V HA 0.247 4.370 4.120 0.005 0.000 0.269 256 V C -0.331 175.828 176.094 0.108 0.000 1.040 256 V CA -0.690 61.663 62.300 0.087 0.000 0.813 256 V CB 0.378 32.234 31.823 0.055 0.000 1.065 256 V HN 0.589 nan 8.190 nan 0.000 0.457 257 K N 3.808 124.298 120.400 0.149 0.000 2.249 257 K HA 0.523 4.846 4.320 0.005 0.000 0.280 257 K C -0.639 176.106 176.600 0.241 0.000 1.033 257 K CA -0.728 55.681 56.287 0.204 0.000 0.946 257 K CB 1.780 34.457 32.500 0.296 0.000 1.005 257 K HN 0.411 nan 8.250 nan 0.000 0.469 258 L N 4.274 125.636 121.223 0.233 0.000 2.337 258 L HA 0.287 4.630 4.340 0.005 0.000 0.269 258 L C -1.224 175.809 176.870 0.271 0.000 1.018 258 L CA -0.535 54.446 54.840 0.234 0.000 0.876 258 L CB -0.117 42.053 42.059 0.186 0.000 1.236 258 L HN 0.394 nan 8.230 nan 0.000 0.436 259 Y N 3.124 123.456 120.300 0.053 0.000 2.394 259 Y HA 0.495 5.048 4.550 0.005 0.000 0.351 259 Y C 1.377 177.301 175.900 0.040 0.000 1.272 259 Y CA 0.435 58.559 58.100 0.041 0.000 1.508 259 Y CB 0.399 38.882 38.460 0.037 0.000 1.369 259 Y HN 0.866 nan 8.280 nan 0.000 0.639 260 G N 2.212 111.104 108.800 0.152 0.000 3.129 260 G HA2 -0.181 3.782 3.960 0.005 0.000 0.686 260 G HA3 -0.181 3.782 3.960 0.005 0.000 0.686 260 G C -0.335 174.600 174.900 0.058 0.000 0.989 260 G CA -0.969 44.187 45.100 0.094 0.000 0.810 260 G HN 0.539 nan 8.290 nan 0.000 0.539 261 R N 1.131 121.649 120.500 0.030 0.000 2.801 261 R HA 0.175 4.518 4.340 0.005 0.000 0.273 261 R C 0.985 177.307 176.300 0.035 0.000 1.080 261 R CA -0.442 55.668 56.100 0.017 0.000 1.197 261 R CB 0.366 30.668 30.300 0.003 0.000 1.109 261 R HN 0.771 nan 8.270 nan 0.000 0.535 262 E N 0.467 120.687 120.200 0.034 0.000 2.465 262 E HA -0.058 4.295 4.350 0.005 0.000 0.260 262 E C 0.746 177.365 176.600 0.033 0.000 0.980 262 E CA 1.275 57.700 56.400 0.042 0.000 0.927 262 E CB 0.402 30.128 29.700 0.042 0.000 0.934 262 E HN 0.729 nan 8.360 nan 0.000 0.459 263 G N 3.765 112.586 108.800 0.036 0.000 2.640 263 G HA2 -0.331 3.632 3.960 0.005 0.000 0.226 263 G HA3 -0.331 3.632 3.960 0.005 0.000 0.226 263 G C 0.528 175.448 174.900 0.033 0.000 1.222 263 G CA 0.331 45.450 45.100 0.032 0.000 0.729 263 G HN 0.663 nan 8.290 nan 0.000 0.516 264 S N 1.862 117.582 115.700 0.033 0.000 2.931 264 S HA 0.351 4.824 4.470 0.005 0.000 0.342 264 S C 1.132 175.757 174.600 0.043 0.000 1.220 264 S CA 0.907 59.129 58.200 0.037 0.000 1.045 264 S CB -0.048 63.175 63.200 0.039 0.000 0.758 264 S HN 1.852 nan 8.310 nan 0.000 0.508 265 S N 4.497 120.221 115.700 0.039 0.000 2.515 265 S HA 0.472 4.945 4.470 0.005 0.000 0.285 265 S C 0.393 175.018 174.600 0.042 0.000 1.265 265 S CA -0.298 57.924 58.200 0.037 0.000 1.079 265 S CB 0.286 63.504 63.200 0.031 0.000 0.877 265 S HN 2.001 nan 8.310 nan 0.000 0.493 266 A N 3.183 126.028 122.820 0.041 0.000 1.726 266 A HA -0.143 4.180 4.320 0.005 0.000 0.224 266 A C 0.399 178.013 177.584 0.050 0.000 1.317 266 A CA 0.069 52.130 52.037 0.041 0.000 0.685 266 A CB -1.350 17.668 19.000 0.031 0.000 1.175 266 A HN 0.875 nan 8.150 nan 0.000 0.230 267 R N 2.067 122.601 120.500 0.056 0.000 2.612 267 R HA 0.189 4.532 4.340 0.005 0.000 0.273 267 R C 0.947 177.288 176.300 0.068 0.000 1.376 267 R CA 0.594 56.738 56.100 0.074 0.000 1.171 267 R CB 0.172 30.517 30.300 0.076 0.000 1.151 267 R HN 0.909 nan 8.270 nan 0.000 0.560 268 T N 1.936 116.529 114.554 0.064 0.000 2.926 268 T HA 0.236 4.589 4.350 0.005 0.000 0.307 268 T C 0.468 175.188 174.700 0.034 0.000 1.059 268 T CA -0.135 61.978 62.100 0.022 0.000 1.122 268 T CB 0.446 69.293 68.868 -0.036 0.000 0.972 268 T HN 0.359 nan 8.240 nan 0.000 0.545 269 I N 3.877 124.456 120.570 0.015 0.000 2.433 269 I HA 0.515 4.688 4.170 0.005 0.000 0.292 269 I C 0.294 176.412 176.117 0.001 0.000 1.001 269 I CA -0.924 60.399 61.300 0.040 0.000 1.119 269 I CB 1.911 39.949 38.000 0.064 0.000 1.289 269 I HN 0.694 nan 8.210 nan 0.000 0.438 270 K N 3.985 124.387 120.400 0.004 0.000 2.399 270 K HA 0.927 5.250 4.320 0.005 0.000 0.260 270 K C -1.326 175.309 176.600 0.058 0.000 1.049 270 K CA -0.947 55.334 56.287 -0.009 0.000 0.890 270 K CB 2.640 35.062 32.500 -0.131 0.000 1.430 270 K HN 0.612 nan 8.250 nan 0.000 0.459 271 A N 0.411 123.265 122.820 0.057 0.000 2.539 271 A HA 0.610 4.933 4.320 0.005 0.000 0.296 271 A C -1.206 176.426 177.584 0.080 0.000 1.073 271 A CA -0.567 51.520 52.037 0.084 0.000 0.700 271 A CB 1.897 20.949 19.000 0.087 0.000 1.296 271 A HN 0.443 nan 8.150 nan 0.000 0.405 272 T N 1.861 116.473 114.554 0.098 0.000 2.767 272 T HA 0.580 4.933 4.350 0.005 0.000 0.284 272 T C -0.628 174.131 174.700 0.099 0.000 0.973 272 T CA 0.114 62.266 62.100 0.086 0.000 0.996 272 T CB -0.061 68.858 68.868 0.085 0.000 0.927 272 T HN 0.409 nan 8.240 nan 0.000 0.456 273 L N 6.231 127.498 121.223 0.073 0.000 2.333 273 L HA 0.439 4.781 4.340 0.005 0.000 0.280 273 L C -2.072 174.830 176.870 0.053 0.000 1.004 273 L CA -2.547 52.346 54.840 0.088 0.000 0.820 273 L CB 1.731 43.816 42.059 0.042 0.000 1.247 273 L HN 0.359 nan 8.230 nan 0.000 0.416 274 P HA -0.151 nan 4.420 nan 0.000 0.261 274 P C -0.510 176.804 177.300 0.024 0.000 1.158 274 P CA 0.542 63.610 63.100 -0.053 0.000 0.758 274 P CB 0.106 31.736 31.700 -0.116 0.000 0.763 275 Y N -1.462 118.847 120.300 0.015 0.000 4.936 275 Y HA -0.223 4.330 4.550 0.005 0.000 0.260 275 Y C 1.046 176.941 175.900 -0.007 0.000 0.928 275 Y CA 0.070 58.180 58.100 0.017 0.000 1.869 275 Y CB -2.134 36.338 38.460 0.020 0.000 1.344 275 Y HN 0.336 nan 8.280 nan 0.000 0.521 276 I N 0.370 121.005 120.570 0.108 0.000 2.577 276 I HA 0.077 4.250 4.170 0.005 0.000 0.300 276 I C 1.467 177.601 176.117 0.028 0.000 0.990 276 I CA -0.523 60.789 61.300 0.021 0.000 1.283 276 I CB 1.579 39.556 38.000 -0.038 0.000 1.411 276 I HN -0.075 nan 8.210 nan 0.000 0.515 277 K N 1.682 122.080 120.400 -0.003 0.000 2.097 277 K HA -0.087 4.236 4.320 0.005 0.000 0.205 277 K C 0.748 177.345 176.600 -0.004 0.000 1.050 277 K CA 1.297 57.584 56.287 -0.000 0.000 0.938 277 K CB 0.114 32.601 32.500 -0.022 0.000 0.718 277 K HN 0.484 nan 8.250 nan 0.000 0.442 278 Q N -0.915 118.866 119.800 -0.031 0.000 3.110 278 Q HA 0.167 4.510 4.340 0.005 0.000 0.360 278 Q C -1.401 174.598 176.000 -0.001 0.000 0.820 278 Q CA -0.880 54.916 55.803 -0.011 0.000 0.845 278 Q CB 1.678 30.399 28.738 -0.029 0.000 1.357 278 Q HN -0.064 nan 8.270 nan 0.000 0.480 279 D N 0.711 121.120 120.400 0.015 0.000 2.268 279 D HA 0.443 5.086 4.640 0.005 0.000 0.249 279 D C -0.632 175.665 176.300 -0.005 0.000 1.008 279 D CA -0.116 53.896 54.000 0.020 0.000 0.939 279 D CB 1.209 42.032 40.800 0.038 0.000 1.170 279 D HN 0.293 nan 8.370 nan 0.000 0.468 280 I N 1.527 122.100 120.570 0.005 0.000 2.468 280 I HA 0.210 4.383 4.170 0.005 0.000 0.285 280 I C -2.542 173.602 176.117 0.044 0.000 1.039 280 I CA -2.258 59.059 61.300 0.029 0.000 1.074 280 I CB 1.446 39.437 38.000 -0.015 0.000 1.228 280 I HN -0.153 nan 8.210 nan 0.000 0.436 281 P HA 0.005 nan 4.420 nan 0.000 0.261 281 P C 1.240 178.582 177.300 0.070 0.000 1.173 281 P CA 0.070 63.196 63.100 0.043 0.000 0.760 281 P CB 0.526 32.246 31.700 0.034 0.000 0.783 282 I N 3.033 123.656 120.570 0.089 0.000 2.335 282 I HA -0.240 3.933 4.170 0.005 0.000 0.251 282 I C 1.733 177.998 176.117 0.246 0.000 1.129 282 I CA 1.455 62.838 61.300 0.139 0.000 1.402 282 I CB -1.575 36.546 38.000 0.202 0.000 1.069 282 I HN 0.182 nan 8.210 nan 0.000 0.424 283 V N -0.570 119.468 119.914 0.206 0.000 2.515 283 V HA -0.140 3.983 4.120 0.005 0.000 0.250 283 V C 2.507 178.693 176.094 0.153 0.000 1.058 283 V CA 1.277 63.696 62.300 0.197 0.000 1.064 283 V CB -1.125 30.757 31.823 0.098 0.000 0.675 283 V HN 0.419 nan 8.190 nan 0.000 0.461 284 I N 0.322 120.957 120.570 0.107 0.000 2.179 284 I HA -0.164 4.009 4.170 0.005 0.000 0.242 284 I C 2.685 178.836 176.117 0.057 0.000 1.088 284 I CA 1.566 62.919 61.300 0.088 0.000 1.357 284 I CB -1.127 36.949 38.000 0.127 0.000 1.051 284 I HN 0.255 nan 8.210 nan 0.000 0.409 285 I N 0.611 121.195 120.570 0.023 0.000 2.142 285 I HA -0.279 3.894 4.170 0.005 0.000 0.240 285 I C 2.728 178.792 176.117 -0.088 0.000 1.078 285 I CA 1.617 62.859 61.300 -0.096 0.000 1.343 285 I CB -1.271 36.630 38.000 -0.165 0.000 1.046 285 I HN 0.088 nan 8.210 nan 0.000 0.405 286 F N 1.085 121.016 119.950 -0.032 0.000 2.154 286 F HA -0.262 4.268 4.527 0.005 0.000 0.301 286 F C 2.835 178.591 175.800 -0.073 0.000 1.087 286 F CA 1.473 59.441 58.000 -0.053 0.000 1.274 286 F CB -0.246 38.720 39.000 -0.057 0.000 1.009 286 F HN 0.017 nan 8.300 nan 0.000 0.485 287 R N -0.326 120.259 120.500 0.143 0.000 2.062 287 R HA -0.065 4.277 4.340 0.005 0.000 0.229 287 R C 2.420 178.736 176.300 0.026 0.000 1.128 287 R CA 1.057 57.196 56.100 0.064 0.000 0.960 287 R CB -0.685 29.648 30.300 0.054 0.000 0.855 287 R HN 0.222 nan 8.270 nan 0.000 0.432 288 A N 0.620 123.443 122.820 0.004 0.000 2.084 288 A HA -0.137 4.185 4.320 0.005 0.000 0.221 288 A C 1.908 179.464 177.584 -0.047 0.000 1.161 288 A CA 1.186 53.204 52.037 -0.032 0.000 0.653 288 A CB -0.405 18.552 19.000 -0.071 0.000 0.802 288 A HN 0.251 nan 8.150 nan 0.000 0.457 289 L N -2.360 118.839 121.223 -0.040 0.000 2.567 289 L HA 0.201 4.544 4.340 0.005 0.000 0.225 289 L C 1.707 178.587 176.870 0.018 0.000 1.119 289 L CA 0.715 55.541 54.840 -0.023 0.000 0.871 289 L CB 0.154 42.195 42.059 -0.030 0.000 1.036 289 L HN 0.607 nan 8.230 nan 0.000 0.459 290 G N 0.317 109.126 108.800 0.015 0.000 2.255 290 G HA2 -0.201 3.762 3.960 0.005 0.000 0.196 290 G HA3 -0.201 3.762 3.960 0.005 0.000 0.196 290 G C 0.010 174.907 174.900 -0.005 0.000 0.998 290 G CA -0.578 44.528 45.100 0.011 0.000 0.656 290 G HN 0.118 nan 8.290 nan 0.000 0.490 291 I N 2.867 123.429 120.570 -0.013 0.000 2.291 291 I HA 0.365 4.538 4.170 0.005 0.000 0.292 291 I C 1.428 177.521 176.117 -0.040 0.000 1.064 291 I CA -0.616 60.639 61.300 -0.075 0.000 1.269 291 I CB 0.913 38.778 38.000 -0.226 0.000 1.418 291 I HN -0.030 nan 8.210 nan 0.000 0.485 292 I N 6.822 127.369 120.570 -0.038 0.000 2.429 292 I HA 0.093 4.266 4.170 0.005 0.000 0.247 292 I C -1.482 174.614 176.117 -0.034 0.000 1.099 292 I CA 0.404 61.691 61.300 -0.021 0.000 1.422 292 I CB -1.784 36.208 38.000 -0.013 0.000 1.112 292 I HN 0.326 nan 8.210 nan 0.000 0.430 293 P HA 0.148 nan 4.420 nan 0.000 0.284 293 P C -0.693 176.558 177.300 -0.082 0.000 1.253 293 P CA -0.363 62.702 63.100 -0.058 0.000 0.800 293 P CB 0.651 32.316 31.700 -0.058 0.000 0.961 294 D N 1.236 121.598 120.400 -0.063 0.000 2.429 294 D HA 0.156 4.799 4.640 0.005 0.000 0.233 294 D C 1.752 177.998 176.300 -0.090 0.000 1.202 294 D CA 1.682 55.639 54.000 -0.072 0.000 0.879 294 D CB -0.231 40.543 40.800 -0.042 0.000 1.212 294 D HN 0.727 nan 8.370 nan 0.000 0.465 295 G N 0.850 109.590 108.800 -0.101 0.000 2.396 295 G HA2 -0.400 3.563 3.960 0.005 0.000 0.242 295 G HA3 -0.400 3.563 3.960 0.005 0.000 0.242 295 G C 1.012 175.851 174.900 -0.101 0.000 1.069 295 G CA 0.612 45.657 45.100 -0.091 0.000 0.633 295 G HN 0.569 nan 8.290 nan 0.000 0.517 296 E N -0.044 120.088 120.200 -0.113 0.000 2.140 296 E HA 0.115 4.468 4.350 0.005 0.000 0.191 296 E C 2.641 179.133 176.600 -0.180 0.000 0.973 296 E CA 0.422 56.761 56.400 -0.102 0.000 0.829 296 E CB -0.070 29.576 29.700 -0.090 0.000 0.781 296 E HN 0.485 nan 8.360 nan 0.000 0.466 297 I N 1.613 122.005 120.570 -0.295 0.000 2.185 297 I HA -0.311 3.862 4.170 0.005 0.000 0.246 297 I C 2.234 178.076 176.117 -0.459 0.000 1.088 297 I CA 1.444 62.414 61.300 -0.550 0.000 1.347 297 I CB -1.037 36.688 38.000 -0.458 0.000 1.041 297 I HN 0.234 nan 8.210 nan 0.000 0.415 298 L N -0.156 120.920 121.223 -0.245 0.000 2.599 298 L HA -0.008 4.335 4.340 0.005 0.000 0.230 298 L C 2.116 178.915 176.870 -0.117 0.000 1.141 298 L CA 0.455 55.193 54.840 -0.169 0.000 0.877 298 L CB -0.489 41.504 42.059 -0.109 0.000 1.009 298 L HN 0.256 nan 8.230 nan 0.000 0.447 299 E N -0.529 119.629 120.200 -0.070 0.000 2.318 299 E HA -0.049 4.304 4.350 0.005 0.000 0.193 299 E C 1.685 178.314 176.600 0.048 0.000 0.998 299 E CA 0.442 56.849 56.400 0.012 0.000 0.859 299 E CB 0.223 29.950 29.700 0.044 0.000 0.812 299 E HN 0.616 nan 8.360 nan 0.000 0.492 300 H N -0.550 118.415 119.070 -0.176 0.000 2.535 300 H HA 0.113 4.672 4.556 0.005 0.000 0.273 300 H C 1.766 177.134 175.328 0.067 0.000 0.983 300 H CA 0.545 56.539 56.048 -0.089 0.000 1.238 300 H CB 0.762 30.362 29.762 -0.270 0.000 1.412 300 H HN 0.119 nan 8.280 nan 0.000 0.562 301 I N -0.741 119.783 120.570 -0.077 0.000 2.900 301 I HA -0.043 4.130 4.170 0.005 0.000 0.251 301 I C 0.873 176.660 176.117 -0.550 0.000 1.102 301 I CA 0.285 61.487 61.300 -0.163 0.000 1.457 301 I CB 0.781 38.735 38.000 -0.078 0.000 1.285 301 I HN 0.031 nan 8.210 nan 0.000 0.459 302 C N 1.419 120.473 119.300 -0.410 0.000 2.203 302 C HA 0.298 4.761 4.460 0.005 0.000 0.325 302 C C 0.821 175.676 174.990 -0.225 0.000 1.156 302 C CA -0.496 58.325 59.018 -0.327 0.000 1.597 302 C CB -1.360 26.294 27.740 -0.143 0.000 2.148 302 C HN 0.412 nan 8.230 nan 0.000 0.472 303 Y N 2.418 122.809 120.300 0.151 0.000 2.465 303 Y HA 0.229 4.781 4.550 0.005 0.000 0.311 303 Y C 0.778 176.754 175.900 0.127 0.000 1.204 303 Y CA -0.130 58.076 58.100 0.175 0.000 1.272 303 Y CB -0.071 38.547 38.460 0.263 0.000 1.083 303 Y HN 0.672 nan 8.280 nan 0.000 0.508 304 D N -1.248 119.257 120.400 0.174 0.000 2.931 304 D HA 0.154 4.797 4.640 0.005 0.000 0.215 304 D C -0.161 176.193 176.300 0.091 0.000 1.297 304 D CA -0.387 53.693 54.000 0.134 0.000 0.892 304 D CB 1.503 42.378 40.800 0.124 0.000 1.642 304 D HN -0.133 nan 8.370 nan 0.000 0.560 305 V N 3.268 123.238 119.914 0.093 0.000 3.646 305 V HA 0.091 4.214 4.120 0.005 0.000 0.277 305 V C 1.566 177.718 176.094 0.096 0.000 1.274 305 V CA 0.176 62.523 62.300 0.078 0.000 1.164 305 V CB -0.615 31.246 31.823 0.065 0.000 0.926 305 V HN 0.493 nan 8.190 nan 0.000 0.442 306 N N 0.618 119.382 118.700 0.106 0.000 2.354 306 N HA -0.071 4.672 4.740 0.005 0.000 0.179 306 N C 1.104 176.724 175.510 0.183 0.000 1.021 306 N CA 0.756 53.889 53.050 0.138 0.000 0.887 306 N CB -0.200 38.358 38.487 0.119 0.000 0.974 306 N HN 0.389 nan 8.380 nan 0.000 0.437 307 D N 1.641 122.099 120.400 0.096 0.000 2.745 307 D HA -0.067 4.576 4.640 0.005 0.000 0.229 307 D C 1.400 177.666 176.300 -0.057 0.000 1.088 307 D CA -0.374 53.620 54.000 -0.010 0.000 1.054 307 D CB -0.503 40.274 40.800 -0.038 0.000 1.132 307 D HN 0.331 nan 8.370 nan 0.000 0.464 308 W N 1.340 122.644 121.300 0.007 0.000 2.341 308 W HA -0.230 4.433 4.660 0.005 0.000 0.283 308 W C 1.068 177.587 176.519 0.000 0.000 1.215 308 W CA 0.279 57.625 57.345 0.002 0.000 1.211 308 W CB -0.696 28.767 29.460 0.004 0.000 1.131 308 W HN 0.242 nan 8.180 nan 0.000 0.552 309 Q N 0.807 120.025 119.800 -0.971 0.000 2.002 309 Q HA -0.264 4.079 4.340 0.005 0.000 0.204 309 Q C 2.377 178.177 176.000 -0.333 0.000 0.988 309 Q CA 2.505 57.785 55.803 -0.872 0.000 0.843 309 Q CB -0.624 27.554 28.738 -0.934 0.000 0.908 309 Q HN 0.317 nan 8.270 nan 0.000 0.420 310 M N 0.857 120.300 119.600 -0.262 0.000 2.082 310 M HA -0.211 4.272 4.480 0.005 0.000 0.258 310 M C 1.905 178.156 176.300 -0.081 0.000 1.069 310 M CA 1.595 56.808 55.300 -0.145 0.000 1.102 310 M CB -0.245 32.282 32.600 -0.121 0.000 1.336 310 M HN 0.141 nan 8.290 nan 0.000 0.404 311 L N -0.632 120.565 121.223 -0.044 0.000 2.012 311 L HA -0.228 4.115 4.340 0.005 0.000 0.210 311 L C 2.485 179.374 176.870 0.032 0.000 1.073 311 L CA 1.680 56.526 54.840 0.010 0.000 0.748 311 L CB -1.014 41.082 42.059 0.061 0.000 0.891 311 L HN 0.319 nan 8.230 nan 0.000 0.431 312 E N 0.193 120.432 120.200 0.065 0.000 2.065 312 E HA -0.277 4.076 4.350 0.005 0.000 0.201 312 E C 2.278 178.899 176.600 0.036 0.000 1.016 312 E CA 1.680 58.132 56.400 0.087 0.000 0.818 312 E CB -0.177 29.606 29.700 0.137 0.000 0.749 312 E HN 0.210 nan 8.360 nan 0.000 0.453 313 M N -0.561 119.036 119.600 -0.005 0.000 2.143 313 M HA -0.224 4.258 4.480 0.005 0.000 0.258 313 M C 2.148 178.451 176.300 0.005 0.000 1.071 313 M CA 1.379 56.673 55.300 -0.010 0.000 1.088 313 M CB -0.453 32.121 32.600 -0.043 0.000 1.360 313 M HN 0.223 nan 8.290 nan 0.000 0.404 314 L N -1.181 120.043 121.223 0.002 0.000 2.446 314 L HA -0.097 4.246 4.340 0.005 0.000 0.219 314 L C 2.333 179.213 176.870 0.017 0.000 1.116 314 L CA 0.247 55.090 54.840 0.006 0.000 0.844 314 L CB -0.287 41.765 42.059 -0.011 0.000 0.970 314 L HN 0.205 nan 8.230 nan 0.000 0.457 315 K N 0.664 121.079 120.400 0.026 0.000 2.049 315 K HA -0.233 4.090 4.320 0.005 0.000 0.219 315 K C -0.482 176.139 176.600 0.034 0.000 1.056 315 K CA 2.292 58.599 56.287 0.035 0.000 0.946 315 K CB -1.358 31.169 32.500 0.044 0.000 0.723 315 K HN 0.248 nan 8.250 nan 0.000 0.453 316 P HA -0.200 nan 4.420 nan 0.000 0.217 316 P C 1.370 178.680 177.300 0.017 0.000 1.148 316 P CA 1.514 64.629 63.100 0.025 0.000 0.834 316 P CB -0.291 31.425 31.700 0.027 0.000 0.783 317 C N -0.522 118.791 119.300 0.021 0.000 2.473 317 C HA -0.076 4.387 4.460 0.005 0.000 0.279 317 C C 2.920 177.924 174.990 0.023 0.000 1.250 317 C CA 0.520 59.550 59.018 0.021 0.000 1.713 317 C CB -1.686 26.075 27.740 0.035 0.000 2.066 317 C HN 0.102 nan 8.230 nan 0.000 0.474 318 V N 2.168 122.103 119.914 0.034 0.000 2.428 318 V HA -0.291 3.832 4.120 0.005 0.000 0.255 318 V C 2.449 178.590 176.094 0.079 0.000 1.080 318 V CA 2.352 64.687 62.300 0.058 0.000 1.083 318 V CB -0.888 30.972 31.823 0.062 0.000 0.665 318 V HN 0.669 nan 8.190 nan 0.000 0.461 319 E N -0.547 119.679 120.200 0.043 0.000 2.230 319 E HA -0.145 4.208 4.350 0.005 0.000 0.192 319 E C 1.442 177.964 176.600 -0.130 0.000 0.987 319 E CA 0.797 57.191 56.400 -0.008 0.000 0.841 319 E CB -0.225 29.482 29.700 0.012 0.000 0.783 319 E HN 0.511 nan 8.360 nan 0.000 0.481 320 D N 0.444 120.794 120.400 -0.083 0.000 2.338 320 D HA 0.005 4.648 4.640 0.005 0.000 0.239 320 D C 1.260 177.494 176.300 -0.110 0.000 1.095 320 D CA 0.361 54.295 54.000 -0.109 0.000 0.888 320 D CB 0.057 40.816 40.800 -0.069 0.000 0.899 320 D HN 0.230 nan 8.370 nan 0.000 0.525 321 G N -0.173 108.572 108.800 -0.091 0.000 2.865 321 G HA2 -0.032 3.930 3.960 0.005 0.000 0.204 321 G HA3 -0.032 3.930 3.960 0.005 0.000 0.204 321 G C 0.720 175.610 174.900 -0.016 0.000 1.140 321 G CA -0.228 44.855 45.100 -0.028 0.000 0.842 321 G HN 0.305 nan 8.290 nan 0.000 0.631 322 F N 2.413 122.341 119.950 -0.038 0.000 2.730 322 F HA 0.453 4.983 4.527 0.005 0.000 0.333 322 F C 0.442 176.213 175.800 -0.049 0.000 1.215 322 F CA -0.615 57.362 58.000 -0.038 0.000 1.388 322 F CB -0.171 38.810 39.000 -0.032 0.000 1.418 322 F HN -0.086 nan 8.300 nan 0.000 0.576 323 V N 0.691 120.501 119.914 -0.174 0.000 3.661 323 V HA 0.289 4.412 4.120 0.005 0.000 0.271 323 V C 0.426 176.467 176.094 -0.088 0.000 1.315 323 V CA 0.126 62.319 62.300 -0.179 0.000 1.072 323 V CB -0.251 31.418 31.823 -0.255 0.000 0.830 323 V HN 0.433 nan 8.190 nan 0.000 0.443 324 I N -0.008 120.541 120.570 -0.035 0.000 2.649 324 I HA 0.355 4.528 4.170 0.005 0.000 0.289 324 I C -0.294 175.845 176.117 0.036 0.000 1.222 324 I CA 0.030 61.328 61.300 -0.003 0.000 1.046 324 I CB 2.595 40.584 38.000 -0.018 0.000 1.272 324 I HN -0.089 nan 8.210 nan 0.000 0.425 325 Q N 4.523 124.347 119.800 0.041 0.000 2.084 325 Q HA 0.258 4.601 4.340 0.005 0.000 0.230 325 Q C -1.398 174.617 176.000 0.026 0.000 0.806 325 Q CA -0.179 55.651 55.803 0.044 0.000 1.083 325 Q CB 0.585 29.356 28.738 0.055 0.000 1.208 325 Q HN 0.678 nan 8.270 nan 0.000 0.462 326 D N -2.444 117.970 120.400 0.024 0.000 2.599 326 D HA 0.208 4.851 4.640 0.005 0.000 0.252 326 D C 0.209 176.520 176.300 0.019 0.000 1.232 326 D CA -0.663 53.347 54.000 0.018 0.000 0.819 326 D CB 0.733 41.542 40.800 0.016 0.000 1.401 326 D HN -0.125 nan 8.370 nan 0.000 0.429 327 R N 0.510 121.019 120.500 0.014 0.000 2.112 327 R HA -0.184 4.159 4.340 0.005 0.000 0.242 327 R C 1.684 177.993 176.300 0.016 0.000 1.137 327 R CA 2.082 58.189 56.100 0.013 0.000 0.944 327 R CB -0.277 30.029 30.300 0.010 0.000 0.857 327 R HN 0.621 nan 8.270 nan 0.000 0.435 328 E N -0.489 119.722 120.200 0.018 0.000 2.015 328 E HA -0.119 4.234 4.350 0.005 0.000 0.191 328 E C 1.953 178.571 176.600 0.030 0.000 0.991 328 E CA 1.773 58.186 56.400 0.021 0.000 0.802 328 E CB -0.306 29.406 29.700 0.020 0.000 0.759 328 E HN 0.453 nan 8.360 nan 0.000 0.447 329 T N -0.981 113.593 114.554 0.033 0.000 3.072 329 T HA 0.114 4.467 4.350 0.005 0.000 0.266 329 T C 1.865 176.603 174.700 0.064 0.000 1.127 329 T CA 0.671 62.798 62.100 0.046 0.000 1.107 329 T CB -0.006 68.883 68.868 0.035 0.000 0.910 329 T HN 0.171 nan 8.240 nan 0.000 0.513 330 A N 1.328 124.177 122.820 0.049 0.000 1.929 330 A HA 0.280 4.603 4.320 0.005 0.000 0.216 330 A C 2.069 179.681 177.584 0.047 0.000 1.176 330 A CA 0.804 52.874 52.037 0.055 0.000 0.628 330 A CB -0.542 18.477 19.000 0.033 0.000 0.816 330 A HN 0.460 nan 8.150 nan 0.000 0.444 331 L N -0.080 121.158 121.223 0.024 0.000 2.418 331 L HA 0.004 4.347 4.340 0.005 0.000 0.218 331 L C 1.879 178.764 176.870 0.026 0.000 1.125 331 L CA 1.450 56.292 54.840 0.003 0.000 0.835 331 L CB -0.479 41.576 42.059 -0.006 0.000 0.953 331 L HN 0.406 nan 8.230 nan 0.000 0.454 332 D N -0.027 120.410 120.400 0.061 0.000 2.084 332 D HA -0.285 4.357 4.640 0.005 0.000 0.194 332 D C 1.756 178.133 176.300 0.128 0.000 0.990 332 D CA 1.068 55.117 54.000 0.083 0.000 0.826 332 D CB -0.141 40.709 40.800 0.083 0.000 0.971 332 D HN 0.212 nan 8.370 nan 0.000 0.453 333 F N 0.662 120.608 119.950 -0.007 0.000 2.772 333 F HA 0.174 4.704 4.527 0.005 0.000 0.301 333 F C 0.239 176.031 175.800 -0.013 0.000 1.250 333 F CA 0.253 58.247 58.000 -0.010 0.000 1.441 333 F CB -0.477 38.513 39.000 -0.017 0.000 1.112 333 F HN -0.028 nan 8.300 nan 0.000 0.563 334 I N 0.796 121.288 120.570 -0.130 0.000 2.779 334 I HA 0.384 4.557 4.170 0.005 0.000 0.294 334 I C 0.614 176.671 176.117 -0.100 0.000 1.241 334 I CA -0.211 60.965 61.300 -0.207 0.000 1.069 334 I CB -0.195 37.703 38.000 -0.170 0.000 1.772 334 I HN 0.139 nan 8.210 nan 0.000 0.582 346 E N 2.528 122.743 120.200 0.026 0.000 2.520 346 E HA -0.101 4.252 4.350 0.005 0.000 0.201 346 E C 0.767 177.384 176.600 0.028 0.000 1.122 346 E CA 0.957 57.373 56.400 0.028 0.000 0.896 346 E CB -0.124 29.589 29.700 0.023 0.000 0.891 346 E HN 0.255 nan 8.360 nan 0.000 0.533 347 K N 0.968 121.383 120.400 0.025 0.000 2.211 347 K HA 0.006 4.329 4.320 0.005 0.000 0.201 347 K C 1.947 178.571 176.600 0.040 0.000 1.052 347 K CA 0.993 57.292 56.287 0.020 0.000 0.973 347 K CB -0.197 32.303 32.500 0.000 0.000 0.766 347 K HN 0.262 nan 8.250 nan 0.000 0.466 348 R N 0.311 120.846 120.500 0.058 0.000 2.223 348 R HA 0.213 4.556 4.340 0.005 0.000 0.198 348 R C 1.577 177.951 176.300 0.124 0.000 0.984 348 R CA 0.337 56.507 56.100 0.116 0.000 1.018 348 R CB -0.544 29.819 30.300 0.105 0.000 0.945 348 R HN -0.038 nan 8.270 nan 0.000 0.479 349 I N 2.173 122.788 120.570 0.075 0.000 2.264 349 I HA -0.251 3.921 4.170 0.005 0.000 0.248 349 I C 2.500 178.654 176.117 0.062 0.000 1.111 349 I CA 1.482 62.815 61.300 0.055 0.000 1.382 349 I CB -0.390 37.634 38.000 0.040 0.000 1.060 349 I HN 0.166 nan 8.210 nan 0.000 0.418 350 Q N -0.709 119.137 119.800 0.077 0.000 2.002 350 Q HA -0.261 4.081 4.340 0.005 0.000 0.204 350 Q C 2.313 178.393 176.000 0.134 0.000 0.988 350 Q CA 1.773 57.628 55.803 0.087 0.000 0.843 350 Q CB -1.016 27.769 28.738 0.078 0.000 0.908 350 Q HN 0.509 nan 8.270 nan 0.000 0.420 351 Y N 1.022 121.322 120.300 0.001 0.000 2.173 351 Y HA -0.320 4.233 4.550 0.005 0.000 0.282 351 Y C 2.111 178.016 175.900 0.009 0.000 1.192 351 Y CA 1.553 59.652 58.100 -0.002 0.000 1.176 351 Y CB -0.594 37.855 38.460 -0.020 0.000 0.969 351 Y HN 0.139 nan 8.280 nan 0.000 0.519 352 A N -0.477 122.334 122.820 -0.015 0.000 1.898 352 A HA -0.113 4.210 4.320 0.005 0.000 0.214 352 A C 2.293 179.843 177.584 -0.056 0.000 1.183 352 A CA 1.392 53.367 52.037 -0.103 0.000 0.622 352 A CB -0.539 18.419 19.000 -0.069 0.000 0.824 352 A HN 0.388 nan 8.150 nan 0.000 0.444 353 K N -0.182 120.217 120.400 -0.001 0.000 2.439 353 K HA -0.098 4.225 4.320 0.005 0.000 0.197 353 K C 0.662 177.285 176.600 0.037 0.000 1.041 353 K CA 1.140 57.435 56.287 0.012 0.000 0.970 353 K CB -0.025 32.490 32.500 0.025 0.000 0.773 353 K HN 0.604 nan 8.250 nan 0.000 0.479 354 D N 0.665 121.098 120.400 0.055 0.000 2.202 354 D HA -0.098 4.544 4.640 0.005 0.000 0.214 354 D C 1.966 178.322 176.300 0.093 0.000 0.967 354 D CA 0.666 54.719 54.000 0.089 0.000 0.871 354 D CB -0.263 40.613 40.800 0.126 0.000 1.020 354 D HN 0.166 nan 8.370 nan 0.000 0.474 355 I N 1.476 122.080 120.570 0.056 0.000 2.236 355 I HA -0.241 3.932 4.170 0.005 0.000 0.249 355 I C 2.066 178.231 176.117 0.079 0.000 1.102 355 I CA 1.062 62.400 61.300 0.064 0.000 1.365 355 I CB -0.337 37.628 38.000 -0.059 0.000 1.051 355 I HN -0.050 nan 8.210 nan 0.000 0.420 356 L N 0.101 121.327 121.223 0.005 0.000 2.693 356 L HA -0.040 4.303 4.340 0.005 0.000 0.242 356 L C 1.650 178.604 176.870 0.139 0.000 1.157 356 L CA 0.516 55.344 54.840 -0.019 0.000 0.929 356 L CB -0.361 41.599 42.059 -0.166 0.000 1.103 356 L HN 0.414 nan 8.230 nan 0.000 0.430 357 Q N -1.270 118.622 119.800 0.153 0.000 2.427 357 Q HA 0.114 4.457 4.340 0.005 0.000 0.249 357 Q C 1.147 177.237 176.000 0.150 0.000 0.783 357 Q CA 0.025 55.920 55.803 0.154 0.000 0.978 357 Q CB 0.847 29.654 28.738 0.116 0.000 1.273 357 Q HN 0.199 nan 8.270 nan 0.000 0.524 358 K N -0.002 120.496 120.400 0.162 0.000 2.478 358 K HA 0.151 4.474 4.320 0.005 0.000 0.205 358 K C 0.134 176.863 176.600 0.214 0.000 1.033 358 K CA 0.218 56.605 56.287 0.167 0.000 1.091 358 K CB 0.922 33.526 32.500 0.173 0.000 0.844 358 K HN 0.007 nan 8.250 nan 0.000 0.507 359 E N -0.841 119.484 120.200 0.208 0.000 2.614 359 E HA 0.050 4.403 4.350 0.005 0.000 0.201 359 E C -0.544 176.172 176.600 0.193 0.000 0.889 359 E CA -0.078 56.430 56.400 0.180 0.000 1.564 359 E CB 0.391 30.169 29.700 0.129 0.000 1.623 359 E HN 0.054 nan 8.360 nan 0.000 0.898 360 F N 2.857 122.844 119.950 0.062 0.000 2.405 360 F HA 0.320 4.849 4.527 0.005 0.000 0.355 360 F C 0.214 176.061 175.800 0.078 0.000 1.121 360 F CA -0.888 57.149 58.000 0.061 0.000 1.112 360 F CB 0.472 39.495 39.000 0.039 0.000 1.126 360 F HN -0.152 nan 8.300 nan 0.000 0.481 361 L N 7.723 128.668 121.223 -0.464 0.000 3.965 361 L HA -0.237 4.106 4.340 0.005 0.000 0.476 361 L C -1.856 174.957 176.870 -0.095 0.000 1.201 361 L CA 0.181 54.853 54.840 -0.279 0.000 0.710 361 L CB -1.507 40.239 42.059 -0.522 0.000 1.509 361 L HN 0.573 nan 8.230 nan 0.000 0.815 362 P HA -0.163 nan 4.420 nan 0.000 0.216 362 P C 0.796 178.123 177.300 0.046 0.000 1.150 362 P CA 1.760 64.902 63.100 0.070 0.000 0.843 362 P CB -0.110 31.656 31.700 0.110 0.000 0.787 363 H N -1.077 117.938 119.070 -0.092 0.000 2.654 363 H HA 0.081 4.640 4.556 0.005 0.000 0.376 363 H C 1.504 176.710 175.328 -0.205 0.000 1.503 363 H CA -0.134 55.838 56.048 -0.127 0.000 1.464 363 H CB -0.097 29.599 29.762 -0.111 0.000 1.565 363 H HN -0.129 nan 8.280 nan 0.000 0.614 364 I N -2.070 118.205 120.570 -0.493 0.000 4.653 364 I HA -0.363 3.810 4.170 0.005 0.000 0.046 364 I C 0.753 176.627 176.117 -0.405 0.000 0.625 364 I CA 2.206 63.170 61.300 -0.561 0.000 0.818 364 I CB -1.853 35.744 38.000 -0.671 0.000 0.750 364 I HN 1.002 nan 8.210 nan 0.000 0.157 365 T N -0.810 113.580 114.554 -0.273 0.000 2.843 365 T HA 0.209 4.562 4.350 0.005 0.000 0.324 365 T C -0.846 173.821 174.700 -0.055 0.000 1.860 365 T CA -0.056 61.944 62.100 -0.166 0.000 1.021 365 T CB 0.927 69.654 68.868 -0.234 0.000 1.858 365 T HN 0.334 nan 8.240 nan 0.000 0.521 366 Q N 1.490 121.286 119.800 -0.007 0.000 2.172 366 Q HA 0.396 4.739 4.340 0.005 0.000 0.217 366 Q C 1.133 177.174 176.000 0.069 0.000 0.832 366 Q CA -0.211 55.613 55.803 0.035 0.000 1.010 366 Q CB 0.374 29.117 28.738 0.010 0.000 1.133 366 Q HN 0.518 nan 8.270 nan 0.000 0.489 367 L N -0.420 120.862 121.223 0.097 0.000 2.195 367 L HA 0.096 4.439 4.340 0.005 0.000 0.210 367 L C 1.652 178.595 176.870 0.122 0.000 1.167 367 L CA 0.975 55.889 54.840 0.124 0.000 2.087 367 L CB -0.013 42.159 42.059 0.188 0.000 1.781 367 L HN 0.213 nan 8.230 nan 0.000 0.963 368 E N -1.304 118.984 120.200 0.147 0.000 3.769 368 E HA 0.034 4.387 4.350 0.005 0.000 0.265 368 E C 1.117 177.769 176.600 0.086 0.000 1.260 368 E CA 0.444 56.902 56.400 0.096 0.000 1.835 368 E CB 0.176 29.908 29.700 0.054 0.000 1.819 368 E HN 0.380 nan 8.360 nan 0.000 0.824 369 G N 1.325 110.125 108.800 -0.001 0.000 3.392 369 G HA2 0.276 4.239 3.960 0.005 0.000 0.247 369 G HA3 0.276 4.239 3.960 0.005 0.000 0.247 369 G C -0.757 173.870 174.900 -0.455 0.000 1.161 369 G CA 0.146 45.133 45.100 -0.188 0.000 1.739 369 G HN 0.034 nan 8.290 nan 0.000 0.619 370 F N -0.724 119.246 119.950 0.033 0.000 2.902 370 F HA 0.366 4.896 4.527 0.005 0.000 0.368 370 F C 0.544 176.382 175.800 0.063 0.000 1.202 370 F CA -0.709 57.313 58.000 0.037 0.000 1.109 370 F CB 2.276 41.283 39.000 0.012 0.000 1.418 370 F HN 0.090 nan 8.300 nan 0.000 0.527 371 E N 0.063 120.383 120.200 0.200 0.000 2.399 371 E HA -0.010 4.343 4.350 0.005 0.000 0.205 371 E C 1.944 178.673 176.600 0.216 0.000 0.906 371 E CA 0.721 57.227 56.400 0.176 0.000 0.998 371 E CB 0.456 30.218 29.700 0.103 0.000 1.002 371 E HN 0.435 nan 8.360 nan 0.000 0.501 372 S N 0.020 115.871 115.700 0.253 0.000 2.501 372 S HA 0.093 4.566 4.470 0.005 0.000 0.220 372 S C 1.817 176.681 174.600 0.441 0.000 0.997 372 S CA -0.106 58.316 58.200 0.369 0.000 0.919 372 S CB 0.105 63.551 63.200 0.410 0.000 0.778 372 S HN -0.005 nan 8.310 nan 0.000 0.523 373 R N 2.068 122.760 120.500 0.319 0.000 2.073 373 R HA 0.073 4.416 4.340 0.005 0.000 0.234 373 R C 1.996 178.431 176.300 0.225 0.000 1.134 373 R CA 1.438 57.656 56.100 0.197 0.000 0.952 373 R CB -0.467 29.894 30.300 0.102 0.000 0.850 373 R HN 0.520 nan 8.270 nan 0.000 0.433 374 K N -0.125 120.421 120.400 0.244 0.000 2.296 374 K HA 0.057 4.380 4.320 0.005 0.000 0.200 374 K C 1.959 178.802 176.600 0.406 0.000 1.048 374 K CA 0.863 57.324 56.287 0.290 0.000 0.966 374 K CB 0.129 32.837 32.500 0.346 0.000 0.754 374 K HN 0.103 nan 8.250 nan 0.000 0.466 375 A N 0.843 123.902 122.820 0.399 0.000 1.861 375 A HA -0.009 4.314 4.320 0.005 0.000 0.212 375 A C 1.847 179.858 177.584 0.712 0.000 1.199 375 A CA 0.621 52.912 52.037 0.422 0.000 0.613 375 A CB -0.672 18.525 19.000 0.329 0.000 0.846 375 A HN 0.148 nan 8.150 nan 0.000 0.446 376 F N -1.262 119.100 119.950 0.687 0.000 2.120 376 F HA -0.235 4.295 4.527 0.005 0.000 0.300 376 F C 2.076 178.350 175.800 0.789 0.000 1.095 376 F CA 2.010 60.337 58.000 0.543 0.000 1.249 376 F CB -0.311 38.662 39.000 -0.044 0.000 0.995 376 F HN 0.356 nan 8.300 nan 0.000 0.480 377 F N 0.022 120.403 119.950 0.718 0.000 2.128 377 F HA -0.160 4.370 4.527 0.005 0.000 0.295 377 F C 2.159 178.271 175.800 0.520 0.000 1.100 377 F CA 1.109 59.507 58.000 0.663 0.000 1.260 377 F CB -0.683 38.550 39.000 0.390 0.000 1.009 377 F HN -0.102 nan 8.300 nan 0.000 0.476 378 L N 0.368 121.866 121.223 0.459 0.000 2.187 378 L HA -0.035 4.307 4.340 0.005 0.000 0.213 378 L C 2.097 179.107 176.870 0.233 0.000 1.100 378 L CA 2.167 57.131 54.840 0.207 0.000 0.765 378 L CB -1.266 40.818 42.059 0.042 0.000 0.904 378 L HN 0.191 nan 8.230 nan 0.000 0.437 379 G N -2.446 106.659 108.800 0.508 0.000 2.777 379 G HA2 -0.233 3.730 3.960 0.005 0.000 0.211 379 G HA3 -0.233 3.730 3.960 0.005 0.000 0.211 379 G C 1.320 176.487 174.900 0.446 0.000 1.149 379 G CA 0.450 45.906 45.100 0.592 0.000 0.785 379 G HN 0.541 nan 8.290 nan 0.000 0.536 380 Y N 0.604 121.114 120.300 0.350 0.000 2.420 380 Y HA 0.269 4.822 4.550 0.005 0.000 0.292 380 Y C 2.551 178.427 175.900 -0.040 0.000 1.119 380 Y CA 0.705 58.928 58.100 0.205 0.000 1.229 380 Y CB 0.094 38.618 38.460 0.106 0.000 1.026 380 Y HN 0.081 nan 8.280 nan 0.000 0.554 381 M N -0.570 118.925 119.600 -0.175 0.000 2.175 381 M HA -0.167 4.315 4.480 0.005 0.000 0.264 381 M C 1.609 177.818 176.300 -0.150 0.000 1.063 381 M CA 1.145 56.299 55.300 -0.243 0.000 1.119 381 M CB -0.177 32.321 32.600 -0.171 0.000 1.377 381 M HN 0.271 nan 8.290 nan 0.000 0.415 382 I N -0.112 120.442 120.570 -0.027 0.000 2.286 382 I HA -0.217 3.956 4.170 0.005 0.000 0.245 382 I C 1.977 178.050 176.117 -0.072 0.000 1.104 382 I CA 1.327 62.626 61.300 -0.002 0.000 1.397 382 I CB -1.771 36.293 38.000 0.106 0.000 1.072 382 I HN 0.346 nan 8.210 nan 0.000 0.417 383 N N 1.137 119.783 118.700 -0.091 0.000 2.166 383 N HA -0.191 4.552 4.740 0.005 0.000 0.186 383 N C 1.934 177.322 175.510 -0.203 0.000 1.019 383 N CA 1.242 54.215 53.050 -0.129 0.000 0.856 383 N CB 0.130 38.584 38.487 -0.054 0.000 0.993 383 N HN 0.042 nan 8.380 nan 0.000 0.426 384 R N 0.376 120.671 120.500 -0.343 0.000 2.066 384 R HA -0.016 4.327 4.340 0.005 0.000 0.232 384 R C 2.144 178.305 176.300 -0.230 0.000 1.131 384 R CA 0.597 56.493 56.100 -0.340 0.000 0.955 384 R CB -1.499 28.514 30.300 -0.480 0.000 0.851 384 R HN 0.342 nan 8.270 nan 0.000 0.432 385 L N 0.861 121.967 121.223 -0.194 0.000 1.990 385 L HA -0.170 4.172 4.340 0.005 0.000 0.213 385 L C 2.088 178.847 176.870 -0.185 0.000 1.072 385 L CA 1.736 56.488 54.840 -0.147 0.000 0.755 385 L CB -0.365 41.648 42.059 -0.076 0.000 0.889 385 L HN 0.109 nan 8.230 nan 0.000 0.432 386 L N -1.505 119.625 121.223 -0.155 0.000 2.179 386 L HA -0.129 4.214 4.340 0.005 0.000 0.208 386 L C 2.340 179.101 176.870 -0.181 0.000 1.096 386 L CA 0.067 54.811 54.840 -0.161 0.000 0.779 386 L CB -0.634 41.360 42.059 -0.109 0.000 0.922 386 L HN 0.314 nan 8.230 nan 0.000 0.443 387 L N -0.187 120.938 121.223 -0.162 0.000 2.263 387 L HA -0.285 4.058 4.340 0.005 0.000 0.216 387 L C 2.369 179.147 176.870 -0.154 0.000 1.111 387 L CA 1.645 56.402 54.840 -0.139 0.000 0.773 387 L CB -1.036 40.948 42.059 -0.125 0.000 0.906 387 L HN 0.399 nan 8.230 nan 0.000 0.439 388 C N -1.871 117.299 119.300 -0.217 0.000 2.525 388 C HA 0.274 4.736 4.460 0.005 0.000 0.291 388 C C 2.884 177.655 174.990 -0.365 0.000 1.351 388 C CA 0.395 59.269 59.018 -0.240 0.000 1.771 388 C CB -0.680 26.926 27.740 -0.223 0.000 2.177 388 C HN 0.583 nan 8.230 nan 0.000 0.510 389 A N 0.576 123.038 122.820 -0.596 0.000 2.019 389 A HA -0.004 4.319 4.320 0.005 0.000 0.219 389 A C 1.875 179.363 177.584 -0.159 0.000 1.164 389 A CA 1.402 53.126 52.037 -0.523 0.000 0.644 389 A CB -0.587 18.185 19.000 -0.380 0.000 0.805 389 A HN 0.665 nan 8.150 nan 0.000 0.449 390 L N -1.410 119.718 121.223 -0.158 0.000 2.599 390 L HA 0.052 4.395 4.340 0.005 0.000 0.230 390 L C 0.152 176.976 176.870 -0.076 0.000 1.141 390 L CA 0.524 55.300 54.840 -0.107 0.000 0.877 390 L CB -0.437 41.543 42.059 -0.131 0.000 1.009 390 L HN 0.366 nan 8.230 nan 0.000 0.447 391 D N -0.805 119.554 120.400 -0.069 0.000 2.870 391 D HA -0.199 4.444 4.640 0.005 0.000 0.228 391 D C 1.419 177.698 176.300 -0.035 0.000 1.147 391 D CA 0.450 54.431 54.000 -0.032 0.000 0.757 391 D CB -0.337 40.459 40.800 -0.007 0.000 1.091 391 D HN 0.242 nan 8.370 nan 0.000 0.429 392 R N -0.679 119.790 120.500 -0.052 0.000 2.189 392 R HA 0.144 4.487 4.340 0.005 0.000 0.203 392 R C 0.735 177.017 176.300 -0.031 0.000 1.012 392 R CA 0.560 56.635 56.100 -0.042 0.000 1.015 392 R CB 0.323 30.591 30.300 -0.053 0.000 0.938 392 R HN -0.052 nan 8.270 nan 0.000 0.472 393 K N 0.013 120.389 120.400 -0.039 0.000 2.400 393 K HA 0.221 4.544 4.320 0.005 0.000 0.246 393 K C -1.146 175.444 176.600 -0.016 0.000 0.995 393 K CA -0.610 55.660 56.287 -0.027 0.000 0.840 393 K CB 1.697 34.174 32.500 -0.038 0.000 1.293 393 K HN -0.158 nan 8.250 nan 0.000 0.445 394 D N 0.993 121.394 120.400 0.001 0.000 2.387 394 D HA 0.065 4.708 4.640 0.005 0.000 0.251 394 D C -0.165 176.154 176.300 0.031 0.000 1.141 394 D CA -0.248 53.766 54.000 0.024 0.000 0.987 394 D CB 1.082 41.903 40.800 0.035 0.000 1.116 394 D HN 0.391 nan 8.370 nan 0.000 0.491 395 Q N 0.185 120.025 119.800 0.066 0.000 2.651 395 Q HA -0.009 4.334 4.340 0.005 0.000 0.224 395 Q C -0.628 175.424 176.000 0.086 0.000 1.094 395 Q CA 0.102 55.964 55.803 0.098 0.000 1.018 395 Q CB 0.593 29.421 28.738 0.149 0.000 1.292 395 Q HN 0.333 nan 8.270 nan 0.000 0.588 396 D N 1.525 121.992 120.400 0.111 0.000 2.249 396 D HA 0.037 4.680 4.640 0.005 0.000 0.246 396 D C -1.005 175.444 176.300 0.249 0.000 1.114 396 D CA -0.153 53.911 54.000 0.108 0.000 0.854 396 D CB 0.877 41.623 40.800 -0.089 0.000 1.132 396 D HN 0.414 nan 8.370 nan 0.000 0.461 397 D N 2.116 122.615 120.400 0.165 0.000 2.348 397 D HA -0.000 4.642 4.640 0.005 0.000 0.259 397 D C 0.996 177.373 176.300 0.127 0.000 1.296 397 D CA 0.058 54.143 54.000 0.142 0.000 0.931 397 D CB 0.402 41.294 40.800 0.153 0.000 1.067 397 D HN 0.269 nan 8.370 nan 0.000 0.503 398 R N 1.710 122.277 120.500 0.112 0.000 2.307 398 R HA 0.014 4.356 4.340 0.005 0.000 0.199 398 R C 0.218 176.524 176.300 0.011 0.000 1.000 398 R CA 0.558 56.714 56.100 0.092 0.000 1.023 398 R CB 0.428 30.744 30.300 0.027 0.000 0.908 398 R HN 0.227 nan 8.270 nan 0.000 0.473 399 D N -0.547 119.802 120.400 -0.086 0.000 2.462 399 D HA -0.005 4.638 4.640 0.005 0.000 0.221 399 D C -0.282 175.781 176.300 -0.394 0.000 1.173 399 D CA -0.022 53.858 54.000 -0.199 0.000 0.831 399 D CB 0.019 40.673 40.800 -0.244 0.000 1.001 399 D HN 0.153 nan 8.370 nan 0.000 0.499 400 H N 0.572 119.465 119.070 -0.296 0.000 2.848 400 H HA -0.042 4.517 4.556 0.005 0.000 0.317 400 H C 0.415 175.731 175.328 -0.019 0.000 1.046 400 H CA 0.020 55.948 56.048 -0.199 0.000 1.470 400 H CB 0.579 30.304 29.762 -0.063 0.000 1.483 400 H HN -0.044 nan 8.280 nan 0.000 0.548 401 F N 3.506 123.463 119.950 0.013 0.000 2.325 401 F HA 0.061 4.591 4.527 0.005 0.000 0.299 401 F C 2.244 178.127 175.800 0.139 0.000 1.090 401 F CA 1.266 59.308 58.000 0.070 0.000 1.392 401 F CB -0.134 38.912 39.000 0.077 0.000 1.053 401 F HN 0.692 nan 8.300 nan 0.000 0.521 402 G N -0.297 108.690 108.800 0.312 0.000 3.061 402 G HA2 -0.075 3.888 3.960 0.005 0.000 0.208 402 G HA3 -0.075 3.888 3.960 0.005 0.000 0.208 402 G C 1.072 175.862 174.900 -0.184 0.000 1.175 402 G CA -0.029 45.076 45.100 0.008 0.000 0.812 402 G HN 0.245 nan 8.290 nan 0.000 0.523 403 K N 0.434 120.757 120.400 -0.129 0.000 2.758 403 K HA 0.178 4.501 4.320 0.005 0.000 0.208 403 K C -0.285 176.233 176.600 -0.138 0.000 1.091 403 K CA -0.076 56.108 56.287 -0.172 0.000 1.059 403 K CB 0.525 32.947 32.500 -0.130 0.000 0.801 403 K HN 0.395 nan 8.250 nan 0.000 0.470 404 K N 0.227 120.503 120.400 -0.206 0.000 2.536 404 K HA 0.496 4.818 4.320 0.005 0.000 0.269 404 K C -0.707 175.729 176.600 -0.273 0.000 0.965 404 K CA -1.242 54.933 56.287 -0.186 0.000 0.860 404 K CB 1.784 34.216 32.500 -0.113 0.000 1.423 404 K HN -0.202 nan 8.250 nan 0.000 0.438 405 R N 1.056 121.444 120.500 -0.185 0.000 2.854 405 R HA 0.524 4.867 4.340 0.005 0.000 0.271 405 R C -0.745 175.486 176.300 -0.115 0.000 0.996 405 R CA -0.954 55.044 56.100 -0.170 0.000 0.961 405 R CB 1.207 31.439 30.300 -0.113 0.000 1.182 405 R HN 0.592 nan 8.270 nan 0.000 0.479 406 L N 1.792 122.961 121.223 -0.088 0.000 2.280 406 L HA 0.333 4.676 4.340 0.005 0.000 0.287 406 L C -0.359 176.500 176.870 -0.018 0.000 1.023 406 L CA -0.847 53.972 54.840 -0.034 0.000 0.819 406 L CB 1.330 43.385 42.059 -0.007 0.000 1.212 406 L HN 0.255 nan 8.230 nan 0.000 0.420 407 D N 3.548 123.939 120.400 -0.014 0.000 2.336 407 D HA 0.263 4.906 4.640 0.005 0.000 0.249 407 D C 0.084 176.374 176.300 -0.015 0.000 1.213 407 D CA -0.078 53.920 54.000 -0.003 0.000 0.870 407 D CB 1.659 42.462 40.800 0.004 0.000 1.076 407 D HN 0.148 nan 8.370 nan 0.000 0.483 408 L N 1.611 122.839 121.223 0.008 0.000 2.770 408 L HA 0.379 4.722 4.340 0.005 0.000 0.229 408 L C 1.850 178.729 176.870 0.016 0.000 1.173 408 L CA -0.245 54.600 54.840 0.010 0.000 0.871 408 L CB 0.158 42.241 42.059 0.040 0.000 1.682 408 L HN 0.394 nan 8.230 nan 0.000 0.523 409 A N 0.232 123.085 122.820 0.054 0.000 1.873 409 A HA -0.131 4.191 4.320 0.005 0.000 0.218 409 A C 1.962 179.611 177.584 0.108 0.000 1.193 409 A CA 1.988 54.082 52.037 0.096 0.000 0.629 409 A CB -1.351 17.799 19.000 0.251 0.000 0.826 409 A HN 0.880 nan 8.150 nan 0.000 0.447 410 G N 0.182 109.061 108.800 0.133 0.000 2.739 410 G HA2 -0.226 3.737 3.960 0.005 0.000 0.216 410 G HA3 -0.226 3.737 3.960 0.005 0.000 0.216 410 G C -0.380 174.519 174.900 -0.002 0.000 1.298 410 G CA 1.405 46.539 45.100 0.057 0.000 0.804 410 G HN 0.486 nan 8.290 nan 0.000 0.623 411 P HA -0.000 nan 4.420 nan 0.000 0.226 411 P C 1.799 179.173 177.300 0.123 0.000 1.146 411 P CA 0.595 63.756 63.100 0.102 0.000 0.773 411 P CB -0.045 31.706 31.700 0.084 0.000 0.772 412 L N -1.468 119.834 121.223 0.131 0.000 2.013 412 L HA -0.099 4.244 4.340 0.005 0.000 0.204 412 L C 2.413 179.489 176.870 0.342 0.000 1.081 412 L CA 1.147 56.183 54.840 0.327 0.000 0.751 412 L CB -1.249 40.937 42.059 0.211 0.000 0.901 412 L HN -0.105 nan 8.230 nan 0.000 0.440 413 L N 0.051 121.383 121.223 0.182 0.000 2.123 413 L HA -0.339 4.004 4.340 0.005 0.000 0.217 413 L C 2.828 179.601 176.870 -0.161 0.000 1.081 413 L CA 1.379 56.141 54.840 -0.130 0.000 0.772 413 L CB -0.779 40.903 42.059 -0.628 0.000 0.890 413 L HN 0.376 nan 8.230 nan 0.000 0.437 414 A N 0.384 123.160 122.820 -0.075 0.000 1.841 414 A HA -0.314 4.009 4.320 0.005 0.000 0.216 414 A C 2.245 179.958 177.584 0.214 0.000 1.199 414 A CA 2.133 54.314 52.037 0.240 0.000 0.621 414 A CB -0.819 18.334 19.000 0.256 0.000 0.835 414 A HN 0.648 nan 8.150 nan 0.000 0.445 415 Q N -0.807 119.084 119.800 0.151 0.000 2.124 415 Q HA -0.129 4.214 4.340 0.005 0.000 0.202 415 Q C 1.983 178.001 176.000 0.030 0.000 0.977 415 Q CA 1.663 57.532 55.803 0.110 0.000 0.850 415 Q CB -0.478 28.331 28.738 0.118 0.000 0.901 415 Q HN 0.472 nan 8.270 nan 0.000 0.429 416 L N 0.180 121.367 121.223 -0.060 0.000 1.970 416 L HA -0.145 4.198 4.340 0.005 0.000 0.212 416 L C 2.362 179.205 176.870 -0.045 0.000 1.071 416 L CA 1.930 56.638 54.840 -0.220 0.000 0.751 416 L CB -0.617 41.146 42.059 -0.493 0.000 0.889 416 L HN 0.283 nan 8.230 nan 0.000 0.432 417 F N 0.275 120.194 119.950 -0.053 0.000 2.065 417 F HA -0.323 4.207 4.527 0.005 0.000 0.298 417 F C 2.463 178.302 175.800 0.064 0.000 1.112 417 F CA 1.916 59.938 58.000 0.036 0.000 1.212 417 F CB -0.306 38.794 39.000 0.165 0.000 0.975 417 F HN -0.008 nan 8.300 nan 0.000 0.476 418 K N -0.460 120.076 120.400 0.226 0.000 1.986 418 K HA -0.285 4.037 4.320 0.005 0.000 0.230 418 K C 1.900 178.534 176.600 0.056 0.000 1.048 418 K CA 3.000 59.377 56.287 0.150 0.000 1.008 418 K CB -1.018 31.569 32.500 0.144 0.000 0.737 418 K HN 0.297 nan 8.250 nan 0.000 0.447 419 T N 2.085 116.648 114.554 0.015 0.000 2.653 419 T HA -0.209 4.144 4.350 0.005 0.000 0.268 419 T C 1.971 176.619 174.700 -0.086 0.000 1.035 419 T CA 1.610 63.691 62.100 -0.031 0.000 1.154 419 T CB -0.318 68.515 68.868 -0.058 0.000 0.862 419 T HN 0.159 nan 8.240 nan 0.000 0.441 420 L N -0.631 120.509 121.223 -0.138 0.000 2.093 420 L HA 0.013 4.356 4.340 0.005 0.000 0.208 420 L C 2.268 179.007 176.870 -0.219 0.000 1.085 420 L CA 1.146 55.869 54.840 -0.195 0.000 0.755 420 L CB -0.376 41.543 42.059 -0.233 0.000 0.904 420 L HN 0.182 nan 8.230 nan 0.000 0.435 421 F N 0.652 120.328 119.950 -0.456 0.000 2.113 421 F HA -0.192 4.338 4.527 0.005 0.000 0.297 421 F C 2.418 178.061 175.800 -0.261 0.000 1.103 421 F CA 1.513 59.231 58.000 -0.471 0.000 1.248 421 F CB -0.181 38.482 39.000 -0.561 0.000 0.999 421 F HN -0.159 nan 8.300 nan 0.000 0.475 422 K N 0.284 120.593 120.400 -0.151 0.000 2.360 422 K HA -0.234 4.088 4.320 0.005 0.000 0.201 422 K C 2.010 178.499 176.600 -0.184 0.000 1.046 422 K CA 1.268 57.456 56.287 -0.165 0.000 0.940 422 K CB -0.166 32.326 32.500 -0.013 0.000 0.748 422 K HN 0.260 nan 8.250 nan 0.000 0.465 423 K N 1.515 121.801 120.400 -0.191 0.000 2.103 423 K HA -0.106 4.217 4.320 0.005 0.000 0.204 423 K C 2.007 178.496 176.600 -0.185 0.000 1.052 423 K CA 0.782 56.975 56.287 -0.156 0.000 0.945 423 K CB 0.022 32.436 32.500 -0.144 0.000 0.722 423 K HN 0.166 nan 8.250 nan 0.000 0.443 424 L N -1.473 119.576 121.223 -0.290 0.000 2.416 424 L HA 0.198 4.541 4.340 0.005 0.000 0.216 424 L C 2.015 178.691 176.870 -0.323 0.000 1.098 424 L CA 1.009 55.679 54.840 -0.284 0.000 0.840 424 L CB -0.614 41.257 42.059 -0.314 0.000 0.981 424 L HN -0.006 nan 8.230 nan 0.000 0.462 425 T N 0.860 115.119 114.554 -0.492 0.000 2.746 425 T HA -0.205 4.148 4.350 0.005 0.000 0.267 425 T C 1.808 176.475 174.700 -0.056 0.000 1.039 425 T CA 2.203 64.081 62.100 -0.370 0.000 1.142 425 T CB -0.122 68.452 68.868 -0.490 0.000 0.866 425 T HN 0.682 nan 8.240 nan 0.000 0.444 426 K N 0.134 120.517 120.400 -0.028 0.000 2.167 426 K HA -0.035 4.288 4.320 0.005 0.000 0.203 426 K C 1.965 178.625 176.600 0.100 0.000 1.052 426 K CA 1.466 57.811 56.287 0.097 0.000 0.956 426 K CB -0.177 32.340 32.500 0.028 0.000 0.735 426 K HN 0.132 nan 8.250 nan 0.000 0.451 427 D N 1.125 121.536 120.400 0.018 0.000 2.182 427 D HA -0.123 4.519 4.640 0.005 0.000 0.201 427 D C 1.885 178.245 176.300 0.100 0.000 0.986 427 D CA 0.896 54.919 54.000 0.039 0.000 0.847 427 D CB 0.121 40.913 40.800 -0.014 0.000 0.942 427 D HN 0.224 nan 8.370 nan 0.000 0.467 428 I N 0.272 120.890 120.570 0.080 0.000 2.142 428 I HA -0.236 3.936 4.170 0.005 0.000 0.240 428 I C 2.382 178.598 176.117 0.164 0.000 1.078 428 I CA 0.764 62.123 61.300 0.098 0.000 1.343 428 I CB -1.358 36.681 38.000 0.064 0.000 1.046 428 I HN 0.008 nan 8.210 nan 0.000 0.405 429 F N 1.512 121.489 119.950 0.044 0.000 2.063 429 F HA -0.338 4.192 4.527 0.005 0.000 0.297 429 F C 2.826 178.655 175.800 0.049 0.000 1.099 429 F CA 1.848 59.870 58.000 0.038 0.000 1.220 429 F CB -0.115 38.896 39.000 0.019 0.000 0.972 429 F HN 0.041 nan 8.300 nan 0.000 0.487 430 R N -1.899 118.776 120.500 0.291 0.000 2.193 430 R HA -0.134 4.209 4.340 0.005 0.000 0.213 430 R C 1.855 178.248 176.300 0.155 0.000 1.055 430 R CA 0.874 57.078 56.100 0.174 0.000 0.995 430 R CB -0.413 29.948 30.300 0.101 0.000 0.893 430 R HN 0.410 nan 8.270 nan 0.000 0.459 431 Y N 0.377 120.713 120.300 0.061 0.000 2.395 431 Y HA -0.053 4.500 4.550 0.005 0.000 0.293 431 Y C 2.114 178.036 175.900 0.037 0.000 1.123 431 Y CA 1.114 59.237 58.100 0.038 0.000 1.227 431 Y CB 0.169 38.646 38.460 0.028 0.000 1.012 431 Y HN -0.106 nan 8.280 nan 0.000 0.552 432 M N -0.347 119.377 119.600 0.207 0.000 2.254 432 M HA -0.193 4.290 4.480 0.005 0.000 0.265 432 M C 1.937 178.275 176.300 0.063 0.000 1.066 432 M CA 1.585 56.959 55.300 0.123 0.000 1.123 432 M CB 0.096 32.749 32.600 0.088 0.000 1.388 432 M HN 0.270 nan 8.290 nan 0.000 0.425 433 Q N -0.777 119.069 119.800 0.078 0.000 2.096 433 Q HA -0.062 4.281 4.340 0.005 0.000 0.197 433 Q C 1.755 177.751 176.000 -0.006 0.000 0.964 433 Q CA 1.043 56.879 55.803 0.055 0.000 0.838 433 Q CB 0.039 28.825 28.738 0.081 0.000 0.906 433 Q HN 0.427 nan 8.270 nan 0.000 0.444 434 R N -0.059 120.411 120.500 -0.050 0.000 2.307 434 R HA 0.021 4.363 4.340 0.005 0.000 0.199 434 R C 1.780 178.002 176.300 -0.130 0.000 1.000 434 R CA 0.976 57.022 56.100 -0.091 0.000 1.023 434 R CB 0.159 30.392 30.300 -0.112 0.000 0.908 434 R HN 0.201 nan 8.270 nan 0.000 0.473 435 T N 0.048 114.516 114.554 -0.142 0.000 2.857 435 T HA -0.095 4.257 4.350 0.005 0.000 0.266 435 T C 1.865 176.531 174.700 -0.057 0.000 1.048 435 T CA 1.209 63.236 62.100 -0.122 0.000 1.139 435 T CB -0.259 68.553 68.868 -0.092 0.000 0.874 435 T HN 0.232 nan 8.240 nan 0.000 0.455 436 V N -1.306 118.588 119.914 -0.034 0.000 0.505 436 V HA -0.444 3.679 4.120 0.005 0.000 0.089 436 V C 0.608 176.698 176.094 -0.008 0.000 2.488 436 V CA 2.125 64.416 62.300 -0.014 0.000 3.667 436 V CB -2.079 29.736 31.823 -0.013 0.000 0.998 436 V HN 0.591 nan 8.190 nan 0.000 1.018 447 A N 4.119 126.586 122.820 -0.588 0.000 2.070 447 A HA -0.230 4.093 4.320 0.005 0.000 0.231 447 A C 0.665 177.959 177.584 -0.483 0.000 0.501 447 A CA 1.462 52.849 52.037 -1.083 0.000 1.119 447 A CB -2.012 16.418 19.000 -0.951 0.000 1.430 447 A HN 0.801 nan 8.150 nan 0.000 0.706 448 I N 1.380 121.793 120.570 -0.261 0.000 2.821 448 I HA -0.005 4.168 4.170 0.005 0.000 0.294 448 I C 0.676 176.713 176.117 -0.134 0.000 1.210 448 I CA 1.158 62.361 61.300 -0.162 0.000 1.430 448 I CB -0.560 37.370 38.000 -0.116 0.000 1.356 448 I HN 0.591 nan 8.210 nan 0.000 0.563 449 N N 5.610 124.239 118.700 -0.119 0.000 3.194 449 N HA 0.347 5.090 4.740 0.005 0.000 0.271 449 N C 0.829 176.267 175.510 -0.120 0.000 1.308 449 N CA -0.080 52.918 53.050 -0.087 0.000 1.042 449 N CB 0.784 39.238 38.487 -0.055 0.000 1.310 449 N HN 0.630 nan 8.380 nan 0.000 0.502 450 A N 2.654 125.376 122.820 -0.164 0.000 1.917 450 A HA -0.237 4.085 4.320 0.005 0.000 0.219 450 A C 2.073 179.544 177.584 -0.188 0.000 1.182 450 A CA 1.667 53.544 52.037 -0.268 0.000 0.633 450 A CB -0.608 18.088 19.000 -0.506 0.000 0.819 450 A HN 0.705 nan 8.150 nan 0.000 0.448 451 K N -0.648 119.689 120.400 -0.104 0.000 2.163 451 K HA -0.271 4.052 4.320 0.005 0.000 0.210 451 K C 1.809 178.372 176.600 -0.062 0.000 1.048 451 K CA 2.207 58.464 56.287 -0.051 0.000 0.928 451 K CB -0.841 31.652 32.500 -0.013 0.000 0.716 451 K HN 0.415 nan 8.250 nan 0.000 0.459 452 T N 2.071 116.574 114.554 -0.085 0.000 2.565 452 T HA -0.223 4.130 4.350 0.005 0.000 0.265 452 T C 1.929 176.566 174.700 -0.105 0.000 1.082 452 T CA 2.226 64.269 62.100 -0.095 0.000 1.173 452 T CB -0.229 68.565 68.868 -0.122 0.000 0.864 452 T HN 0.268 nan 8.240 nan 0.000 0.425 453 I N 0.497 120.986 120.570 -0.134 0.000 2.113 453 I HA -0.203 3.969 4.170 0.005 0.000 0.238 453 I C 2.765 178.851 176.117 -0.053 0.000 1.070 453 I CA 1.408 62.634 61.300 -0.125 0.000 1.332 453 I CB -1.118 36.790 38.000 -0.154 0.000 1.044 453 I HN 0.304 nan 8.210 nan 0.000 0.402 454 T N 0.885 115.410 114.554 -0.049 0.000 2.531 454 T HA -0.277 4.075 4.350 0.005 0.000 0.261 454 T C 1.750 176.465 174.700 0.025 0.000 1.141 454 T CA 2.585 64.688 62.100 0.005 0.000 1.176 454 T CB -0.468 68.403 68.868 0.005 0.000 0.863 454 T HN 0.534 nan 8.240 nan 0.000 0.424 455 S N 0.379 116.088 115.700 0.015 0.000 2.631 455 S HA 0.276 4.749 4.470 0.005 0.000 0.217 455 S C 1.828 176.459 174.600 0.051 0.000 0.958 455 S CA 0.585 58.810 58.200 0.042 0.000 0.920 455 S CB 0.063 63.289 63.200 0.044 0.000 0.776 455 S HN 0.536 nan 8.310 nan 0.000 0.517 456 G N 1.412 110.214 108.800 0.002 0.000 2.576 456 G HA2 0.207 4.170 3.960 0.005 0.000 0.210 456 G HA3 0.207 4.170 3.960 0.005 0.000 0.210 456 G C 1.192 176.067 174.900 -0.041 0.000 1.143 456 G CA -0.039 45.038 45.100 -0.038 0.000 0.819 456 G HN 0.479 nan 8.290 nan 0.000 0.534 457 L N 0.012 121.221 121.223 -0.022 0.000 2.291 457 L HA 0.119 4.461 4.340 0.005 0.000 0.214 457 L C 2.754 179.642 176.870 0.030 0.000 1.120 457 L CA 0.735 55.563 54.840 -0.020 0.000 0.799 457 L CB 0.001 42.094 42.059 0.057 0.000 0.925 457 L HN 0.126 nan 8.230 nan 0.000 0.446 458 K N -1.122 119.319 120.400 0.068 0.000 2.098 458 K HA -0.153 4.170 4.320 0.005 0.000 0.203 458 K C 2.048 178.718 176.600 0.116 0.000 1.051 458 K CA 1.025 57.365 56.287 0.088 0.000 0.957 458 K CB -0.112 32.434 32.500 0.078 0.000 0.738 458 K HN 0.180 nan 8.250 nan 0.000 0.447 459 Y N 1.154 121.451 120.300 -0.005 0.000 2.165 459 Y HA -0.309 4.244 4.550 0.005 0.000 0.286 459 Y C 2.085 177.996 175.900 0.019 0.000 1.155 459 Y CA 1.498 59.599 58.100 0.002 0.000 1.164 459 Y CB 0.022 38.471 38.460 -0.018 0.000 0.978 459 Y HN 0.068 nan 8.280 nan 0.000 0.513 460 A N -0.145 122.848 122.820 0.288 0.000 1.840 460 A HA -0.148 4.175 4.320 0.005 0.000 0.214 460 A C 1.942 179.731 177.584 0.342 0.000 1.198 460 A CA 1.442 53.623 52.037 0.241 0.000 0.608 460 A CB -1.119 17.750 19.000 -0.218 0.000 0.839 460 A HN 0.439 nan 8.150 nan 0.000 0.443 461 L N -0.316 121.063 121.223 0.260 0.000 2.353 461 L HA -0.063 4.279 4.340 0.005 0.000 0.220 461 L C 2.602 179.548 176.870 0.126 0.000 1.133 461 L CA 1.411 56.381 54.840 0.216 0.000 0.798 461 L CB -0.996 41.106 42.059 0.072 0.000 0.922 461 L HN 0.430 nan 8.230 nan 0.000 0.445 462 A N -1.586 121.295 122.820 0.103 0.000 1.835 462 A HA -0.102 4.221 4.320 0.005 0.000 0.213 462 A C 2.182 179.779 177.584 0.022 0.000 1.210 462 A CA 1.960 54.017 52.037 0.034 0.000 0.605 462 A CB -0.810 18.165 19.000 -0.042 0.000 0.860 462 A HN 0.450 nan 8.150 nan 0.000 0.447 463 T N -3.040 111.525 114.554 0.020 0.000 2.837 463 T HA 0.441 4.794 4.350 0.005 0.000 0.242 463 T C 1.476 176.232 174.700 0.093 0.000 1.044 463 T CA 1.286 63.400 62.100 0.025 0.000 1.202 463 T CB -0.386 68.479 68.868 -0.006 0.000 0.905 463 T HN 1.459 nan 8.240 nan 0.000 0.413 464 G N 1.041 109.948 108.800 0.179 0.000 2.870 464 G HA2 -0.115 3.848 3.960 0.005 0.000 0.216 464 G HA3 -0.115 3.848 3.960 0.005 0.000 0.216 464 G C 0.080 175.119 174.900 0.233 0.000 0.973 464 G CA -0.491 44.712 45.100 0.172 0.000 0.807 464 G HN 0.365 nan 8.290 nan 0.000 0.573 465 N N 1.308 120.172 118.700 0.274 0.000 2.878 465 N HA 0.028 4.771 4.740 0.005 0.000 0.282 465 N C 0.276 175.948 175.510 0.271 0.000 1.284 465 N CA -0.346 52.858 53.050 0.257 0.000 1.053 465 N CB -0.265 38.397 38.487 0.291 0.000 1.382 465 N HN 0.568 nan 8.380 nan 0.000 0.529 466 W N 1.117 122.443 121.300 0.043 0.000 2.816 466 W HA -0.085 4.578 4.660 0.005 0.000 0.444 466 W C 0.450 176.969 176.519 0.000 0.000 0.974 466 W CA 0.577 57.932 57.345 0.017 0.000 1.223 466 W CB -0.298 29.162 29.460 0.001 0.000 1.209 466 W HN 0.469 nan 8.180 nan 0.000 0.585 467 G N 2.959 111.610 108.800 -0.249 0.000 2.542 467 G HA2 -0.102 3.861 3.960 0.005 0.000 0.223 467 G HA3 -0.102 3.861 3.960 0.005 0.000 0.223 467 G C -0.185 174.565 174.900 -0.250 0.000 1.041 467 G CA -0.149 44.781 45.100 -0.283 0.000 0.928 467 G HN 0.505 nan 8.290 nan 0.000 0.558 468 E N -1.802 118.208 120.200 -0.317 0.000 3.545 468 E HA -0.347 4.005 4.350 0.005 0.000 0.217 468 E C 1.714 178.014 176.600 -0.500 0.000 1.410 468 E CA 1.608 57.749 56.400 -0.432 0.000 2.126 468 E CB -0.825 28.697 29.700 -0.296 0.000 2.100 468 E HN 0.672 nan 8.360 nan 0.000 0.518 469 Q N 0.915 120.471 119.800 -0.407 0.000 2.224 469 Q HA -0.018 4.325 4.340 0.005 0.000 0.203 469 Q C 1.689 177.588 176.000 -0.168 0.000 0.970 469 Q CA 2.200 57.809 55.803 -0.324 0.000 0.865 469 Q CB -0.123 28.493 28.738 -0.204 0.000 0.922 469 Q HN 0.357 nan 8.270 nan 0.000 0.445 470 K N 0.965 121.288 120.400 -0.128 0.000 2.147 470 K HA -0.192 4.131 4.320 0.005 0.000 0.205 470 K C 0.940 177.519 176.600 -0.035 0.000 1.049 470 K CA 1.555 57.803 56.287 -0.066 0.000 0.936 470 K CB -0.170 32.297 32.500 -0.056 0.000 0.722 470 K HN 0.535 nan 8.250 nan 0.000 0.446 471 K N -2.371 118.008 120.400 -0.035 0.000 6.035 471 K HA -0.346 3.977 4.320 0.005 0.000 0.451 471 K C 1.500 178.115 176.600 0.024 0.000 0.399 471 K CA 1.751 58.047 56.287 0.016 0.000 1.899 471 K CB -2.170 30.354 32.500 0.041 0.000 0.814 471 K HN 0.086 nan 8.250 nan 0.000 0.694 472 A N 1.090 123.918 122.820 0.012 0.000 2.139 472 A HA 0.030 4.353 4.320 0.005 0.000 0.221 472 A C 1.329 178.926 177.584 0.021 0.000 1.159 472 A CA 1.521 53.567 52.037 0.016 0.000 0.662 472 A CB -0.468 18.536 19.000 0.007 0.000 0.796 472 A HN 0.502 nan 8.150 nan 0.000 0.463 473 M N 1.691 121.304 119.600 0.022 0.000 2.720 473 M HA 0.032 4.515 4.480 0.005 0.000 0.328 473 M C 1.402 177.736 176.300 0.056 0.000 1.682 473 M CA 0.596 55.919 55.300 0.037 0.000 1.381 473 M CB -0.018 32.604 32.600 0.037 0.000 1.868 473 M HN 0.429 nan 8.290 nan 0.000 0.459 474 S N 0.434 116.162 115.700 0.047 0.000 2.571 474 S HA -0.117 4.356 4.470 0.005 0.000 0.245 474 S C 1.523 176.157 174.600 0.058 0.000 0.976 474 S CA 0.810 59.038 58.200 0.046 0.000 0.954 474 S CB -0.918 62.302 63.200 0.033 0.000 0.756 474 S HN 0.831 nan 8.310 nan 0.000 0.535 475 S N 1.437 117.185 115.700 0.079 0.000 2.693 475 S HA -0.011 4.461 4.470 0.005 0.000 0.243 475 S C 1.345 176.016 174.600 0.119 0.000 0.973 475 S CA 0.093 58.354 58.200 0.101 0.000 0.969 475 S CB -0.657 62.643 63.200 0.166 0.000 0.771 475 S HN 0.663 nan 8.310 nan 0.000 0.542 476 R N 1.268 121.826 120.500 0.097 0.000 2.261 476 R HA -0.052 4.291 4.340 0.005 0.000 0.236 476 R C 2.431 178.772 176.300 0.067 0.000 1.141 476 R CA 0.854 57.010 56.100 0.094 0.000 1.001 476 R CB -1.211 29.132 30.300 0.071 0.000 0.866 476 R HN 0.531 nan 8.270 nan 0.000 0.468 477 A N 0.901 123.750 122.820 0.048 0.000 1.813 477 A HA -0.321 4.002 4.320 0.005 0.000 0.282 477 A C 1.878 179.464 177.584 0.004 0.000 2.939 477 A CA 2.352 54.399 52.037 0.016 0.000 0.824 477 A CB -1.403 17.594 19.000 -0.005 0.000 0.815 477 A HN 0.709 nan 8.150 nan 0.000 0.565 478 G N -3.146 105.656 108.800 0.003 0.000 2.226 478 G HA2 0.097 4.060 3.960 0.005 0.000 0.176 478 G HA3 0.097 4.060 3.960 0.005 0.000 0.176 478 G C -0.041 174.817 174.900 -0.070 0.000 1.042 478 G CA 0.107 45.203 45.100 -0.007 0.000 0.732 478 G HN 1.476 nan 8.290 nan 0.000 0.494 479 V N 0.032 119.856 119.914 -0.149 0.000 2.872 479 V HA 0.581 4.704 4.120 0.005 0.000 0.307 479 V C 1.414 177.354 176.094 -0.256 0.000 1.072 479 V CA 0.808 62.916 62.300 -0.321 0.000 1.148 479 V CB 1.277 32.705 31.823 -0.659 0.000 0.954 479 V HN 2.192 nan 8.190 nan 0.000 0.490 480 S N 2.563 118.103 115.700 -0.268 0.000 3.598 480 S HA -0.145 4.328 4.470 0.005 0.000 0.602 480 S C -0.431 174.156 174.600 -0.022 0.000 0.614 480 S CA 0.588 58.717 58.200 -0.119 0.000 1.417 480 S CB -0.782 62.394 63.200 -0.040 0.000 0.922 480 S HN 0.910 nan 8.310 nan 0.000 0.924 481 Q N 2.102 121.913 119.800 0.018 0.000 2.378 481 Q HA 0.602 4.944 4.340 0.005 0.000 0.276 481 Q C 0.275 176.355 176.000 0.134 0.000 1.083 481 Q CA -0.992 54.873 55.803 0.103 0.000 0.856 481 Q CB 1.572 30.444 28.738 0.225 0.000 1.383 481 Q HN 0.495 nan 8.270 nan 0.000 0.458 482 V N 2.063 122.040 119.914 0.105 0.000 2.346 482 V HA 0.037 4.160 4.120 0.005 0.000 0.320 482 V C 1.284 177.416 176.094 0.063 0.000 1.663 482 V CA 0.283 62.623 62.300 0.066 0.000 1.667 482 V CB -1.924 29.913 31.823 0.025 0.000 1.465 482 V HN 0.775 nan 8.190 nan 0.000 0.524 483 L N 0.718 122.019 121.223 0.130 0.000 5.459 483 L HA -0.374 3.969 4.340 0.005 0.000 0.053 483 L C 0.591 177.501 176.870 0.066 0.000 2.402 483 L CA 2.313 57.243 54.840 0.150 0.000 1.776 483 L CB -0.192 41.837 42.059 -0.049 0.000 2.645 483 L HN 0.903 nan 8.230 nan 0.000 0.895 484 N N -1.268 117.403 118.700 -0.047 0.000 6.971 484 N HA 0.174 4.917 4.740 0.005 0.000 0.105 484 N C -1.210 174.247 175.510 -0.088 0.000 0.941 484 N CA -0.196 52.782 53.050 -0.119 0.000 1.212 484 N CB 0.333 38.666 38.487 -0.257 0.000 1.350 484 N HN 0.411 nan 8.380 nan 0.000 1.277 485 R N 3.033 123.467 120.500 -0.111 0.000 2.795 485 R HA 0.207 4.550 4.340 0.005 0.000 0.320 485 R C -0.158 175.973 176.300 -0.281 0.000 1.223 485 R CA -0.332 55.694 56.100 -0.122 0.000 1.305 485 R CB 0.159 30.415 30.300 -0.074 0.000 1.318 485 R HN 0.570 nan 8.270 nan 0.000 0.636 486 Y N 0.066 120.238 120.300 -0.214 0.000 2.153 486 Y HA 0.109 4.662 4.550 0.004 0.000 0.289 486 Y C 0.794 176.642 175.900 -0.087 0.000 1.119 486 Y CA 1.252 59.227 58.100 -0.208 0.000 1.116 486 Y CB 0.823 39.192 38.460 -0.151 0.000 1.004 486 Y HN -0.057 nan 8.280 nan 0.000 0.501 487 T N -0.832 113.862 114.554 0.233 0.000 2.907 487 T HA 0.143 4.495 4.350 0.005 0.000 0.292 487 T C -0.158 174.668 174.700 0.210 0.000 1.043 487 T CA -0.588 61.644 62.100 0.220 0.000 1.003 487 T CB 1.098 70.125 68.868 0.265 0.000 1.084 487 T HN 0.233 nan 8.240 nan 0.000 0.483 488 Y N 2.867 123.229 120.300 0.103 0.000 1.956 488 Y HA -0.270 4.283 4.550 0.004 0.000 0.258 488 Y C 2.834 178.792 175.900 0.096 0.000 1.152 488 Y CA 2.993 61.133 58.100 0.068 0.000 1.093 488 Y CB -0.777 37.670 38.460 -0.021 0.000 0.945 488 Y HN 0.697 nan 8.280 nan 0.000 0.488 489 S N -0.498 115.364 115.700 0.269 0.000 2.423 489 S HA -0.284 4.189 4.470 0.005 0.000 0.238 489 S C 2.255 176.867 174.600 0.020 0.000 1.028 489 S CA 2.013 60.315 58.200 0.170 0.000 1.000 489 S CB -1.227 62.168 63.200 0.325 0.000 0.797 489 S HN 0.722 nan 8.310 nan 0.000 0.487 490 S N 1.370 117.092 115.700 0.037 0.000 2.351 490 S HA -0.170 4.303 4.470 0.005 0.000 0.220 490 S C 2.001 176.579 174.600 -0.038 0.000 1.035 490 S CA 2.101 60.305 58.200 0.006 0.000 1.031 490 S CB -1.792 61.430 63.200 0.037 0.000 0.928 490 S HN 0.681 nan 8.310 nan 0.000 0.433 491 T N 3.591 118.092 114.554 -0.089 0.000 2.592 491 T HA -0.151 4.202 4.350 0.005 0.000 0.267 491 T C 1.811 176.425 174.700 -0.144 0.000 1.060 491 T CA 2.028 64.049 62.100 -0.131 0.000 1.167 491 T CB -0.945 67.800 68.868 -0.205 0.000 0.863 491 T HN 0.394 nan 8.240 nan 0.000 0.431 492 L N 0.757 121.836 121.223 -0.240 0.000 1.997 492 L HA -0.192 4.151 4.340 0.005 0.000 0.216 492 L C 2.920 179.748 176.870 -0.070 0.000 1.074 492 L CA 1.622 56.363 54.840 -0.165 0.000 0.763 492 L CB -0.787 41.181 42.059 -0.153 0.000 0.890 492 L HN 0.279 nan 8.230 nan 0.000 0.434 493 S N -1.408 114.266 115.700 -0.043 0.000 2.356 493 S HA -0.276 4.197 4.470 0.005 0.000 0.223 493 S C 2.096 176.713 174.600 0.029 0.000 1.032 493 S CA 1.220 59.414 58.200 -0.009 0.000 1.005 493 S CB -0.435 62.763 63.200 -0.003 0.000 0.867 493 S HN 0.522 nan 8.310 nan 0.000 0.449 494 H N 0.363 119.389 119.070 -0.074 0.000 2.456 494 H HA 0.008 4.567 4.556 0.005 0.000 0.296 494 H C 1.760 177.054 175.328 -0.056 0.000 1.079 494 H CA 1.360 57.368 56.048 -0.066 0.000 1.322 494 H CB -0.045 29.674 29.762 -0.072 0.000 1.388 494 H HN 0.387 nan 8.280 nan 0.000 0.538 495 L N 0.086 121.256 121.223 -0.088 0.000 2.395 495 L HA -0.038 4.305 4.340 0.005 0.000 0.218 495 L C 1.176 177.990 176.870 -0.094 0.000 1.130 495 L CA 0.708 55.479 54.840 -0.115 0.000 0.826 495 L CB 0.031 42.056 42.059 -0.056 0.000 0.941 495 L HN 0.112 nan 8.230 nan 0.000 0.451 496 R N 0.051 120.508 120.500 -0.071 0.000 3.039 496 R HA 0.259 4.602 4.340 0.005 0.000 0.336 496 R C 0.070 176.338 176.300 -0.054 0.000 1.258 496 R CA -0.199 55.871 56.100 -0.049 0.000 1.125 496 R CB 0.365 30.648 30.300 -0.028 0.000 1.427 496 R HN 0.132 nan 8.270 nan 0.000 0.588 497 R N 0.033 120.483 120.500 -0.084 0.000 2.758 497 R HA 0.432 4.775 4.340 0.005 0.000 0.265 497 R C -0.795 175.468 176.300 -0.062 0.000 1.016 497 R CA -0.284 55.774 56.100 -0.070 0.000 1.040 497 R CB 1.722 31.977 30.300 -0.075 0.000 1.152 497 R HN -0.075 nan 8.270 nan 0.000 0.503 498 T N 1.850 116.379 114.554 -0.042 0.000 2.937 498 T HA 0.244 4.597 4.350 0.005 0.000 0.297 498 T C -1.328 173.360 174.700 -0.020 0.000 0.991 498 T CA -0.697 61.389 62.100 -0.023 0.000 0.990 498 T CB 1.131 70.002 68.868 0.005 0.000 0.991 498 T HN 0.449 nan 8.240 nan 0.000 0.440 499 N N 1.782 120.467 118.700 -0.025 0.000 2.399 499 N HA 0.565 5.308 4.740 0.005 0.000 0.295 499 N C -1.220 174.289 175.510 -0.002 0.000 1.048 499 N CA -0.384 52.654 53.050 -0.019 0.000 0.886 499 N CB 1.283 39.748 38.487 -0.037 0.000 1.185 499 N HN 0.501 nan 8.380 nan 0.000 0.487 500 T N 4.084 118.642 114.554 0.007 0.000 2.985 500 T HA 0.396 4.749 4.350 0.005 0.000 0.315 500 T C -2.407 172.301 174.700 0.013 0.000 1.001 500 T CA -0.954 61.158 62.100 0.020 0.000 1.016 500 T CB 1.598 70.489 68.868 0.040 0.000 0.993 500 T HN 0.435 nan 8.240 nan 0.000 0.454 501 P HA 0.358 nan 4.420 nan 0.000 0.273 501 P C 0.704 178.009 177.300 0.008 0.000 1.258 501 P CA -0.331 62.774 63.100 0.009 0.000 0.802 501 P CB 0.660 32.367 31.700 0.012 0.000 1.040 510 K N 0.721 121.106 120.400 -0.024 0.000 2.865 510 K HA 0.369 4.692 4.320 0.005 0.000 0.215 510 K C -2.666 173.938 176.600 0.007 0.000 1.120 510 K CA -0.976 55.308 56.287 -0.005 0.000 1.037 510 K CB 2.424 34.927 32.500 0.005 0.000 1.233 510 K HN 0.248 nan 8.250 nan 0.000 0.577 511 P HA 0.112 nan 4.420 nan 0.000 0.267 511 P C 0.295 177.619 177.300 0.040 0.000 1.289 511 P CA 0.016 63.131 63.100 0.024 0.000 0.866 511 P CB 0.507 32.216 31.700 0.016 0.000 1.309 512 R N -1.184 119.335 120.500 0.031 0.000 2.282 512 R HA 0.195 4.538 4.340 0.005 0.000 0.195 512 R C 0.781 177.103 176.300 0.037 0.000 0.909 512 R CA -0.191 55.924 56.100 0.025 0.000 1.039 512 R CB -0.173 30.131 30.300 0.007 0.000 1.015 512 R HN 0.159 nan 8.270 nan 0.000 0.513 513 Q N 1.331 121.163 119.800 0.052 0.000 2.428 513 Q HA 0.056 4.399 4.340 0.005 0.000 0.276 513 Q C -0.801 175.271 176.000 0.120 0.000 1.059 513 Q CA 0.159 56.002 55.803 0.066 0.000 0.923 513 Q CB 0.600 29.380 28.738 0.070 0.000 1.283 513 Q HN 0.044 nan 8.270 nan 0.000 0.447 514 L N 3.122 124.410 121.223 0.109 0.000 2.260 514 L HA 0.298 4.641 4.340 0.005 0.000 0.289 514 L C -1.260 175.710 176.870 0.167 0.000 1.057 514 L CA -0.013 54.941 54.840 0.189 0.000 0.811 514 L CB 0.442 42.554 42.059 0.089 0.000 1.184 514 L HN 0.658 nan 8.230 nan 0.000 0.429 515 H N 3.873 122.981 119.070 0.065 0.000 2.466 515 H HA 0.391 4.950 4.556 0.005 0.000 0.338 515 H C 0.981 176.193 175.328 -0.194 0.000 1.091 515 H CA -0.247 55.695 56.048 -0.177 0.000 1.207 515 H CB 0.902 30.449 29.762 -0.358 0.000 1.466 515 H HN 0.782 nan 8.280 nan 0.000 0.493 516 N N 1.849 120.102 118.700 -0.745 0.000 2.247 516 N HA -0.342 4.401 4.740 0.005 0.000 0.187 516 N C 1.349 176.779 175.510 -0.135 0.000 0.885 516 N CA 2.889 55.687 53.050 -0.421 0.000 0.910 516 N CB -0.547 37.626 38.487 -0.523 0.000 1.055 516 N HN 0.806 nan 8.380 nan 0.000 0.813 517 T N -1.727 112.786 114.554 -0.068 0.000 3.025 517 T HA -0.111 4.242 4.350 0.005 0.000 0.270 517 T C 1.373 176.163 174.700 0.149 0.000 1.126 517 T CA 1.044 63.180 62.100 0.060 0.000 1.105 517 T CB -0.320 68.531 68.868 -0.029 0.000 0.884 517 T HN 0.289 nan 8.240 nan 0.000 0.522 518 H N -0.511 118.600 119.070 0.069 0.000 2.495 518 H HA 0.104 4.663 4.556 0.005 0.000 0.287 518 H C 0.823 176.154 175.328 0.006 0.000 1.033 518 H CA -0.215 55.778 56.048 -0.092 0.000 1.307 518 H CB -0.433 29.230 29.762 -0.165 0.000 1.401 518 H HN 0.573 nan 8.280 nan 0.000 0.555 519 W N 2.214 123.538 121.300 0.040 0.000 2.712 519 W HA 0.226 4.889 4.660 0.005 0.000 0.345 519 W C 0.523 177.040 176.519 -0.004 0.000 1.424 519 W CA 1.448 58.791 57.345 -0.003 0.000 1.375 519 W CB -0.401 29.043 29.460 -0.027 0.000 1.483 519 W HN 0.459 nan 8.180 nan 0.000 0.561 520 G N 3.717 112.249 108.800 -0.446 0.000 2.238 520 G HA2 -0.312 3.651 3.960 0.005 0.000 0.217 520 G HA3 -0.312 3.651 3.960 0.005 0.000 0.217 520 G C 0.544 175.324 174.900 -0.201 0.000 0.996 520 G CA 0.323 45.178 45.100 -0.410 0.000 0.632 520 G HN 0.540 nan 8.290 nan 0.000 0.503 521 L N -0.152 121.018 121.223 -0.089 0.000 2.590 521 L HA 0.466 4.809 4.340 0.005 0.000 0.181 521 L C 1.317 178.135 176.870 -0.088 0.000 1.134 521 L CA 0.301 55.132 54.840 -0.015 0.000 0.850 521 L CB -0.056 42.123 42.059 0.200 0.000 1.172 521 L HN 0.086 nan 8.230 nan 0.000 0.498 522 V N -0.254 119.537 119.914 -0.204 0.000 2.743 522 V HA 0.115 4.238 4.120 0.005 0.000 0.301 522 V C -0.057 175.894 176.094 -0.238 0.000 1.057 522 V CA -1.135 60.984 62.300 -0.301 0.000 1.006 522 V CB 1.859 33.312 31.823 -0.617 0.000 1.024 522 V HN 0.359 nan 8.190 nan 0.000 0.473 523 C N 7.332 126.513 119.300 -0.198 0.000 2.632 523 C HA 0.274 4.737 4.460 0.005 0.000 0.415 523 C C -0.079 174.816 174.990 -0.159 0.000 1.332 523 C CA -1.001 57.922 59.018 -0.159 0.000 1.874 523 C CB 0.243 27.911 27.740 -0.120 0.000 2.596 523 C HN 0.852 nan 8.230 nan 0.000 0.590 524 P HA -0.031 nan 4.420 nan 0.000 0.219 524 P C 1.004 178.259 177.300 -0.075 0.000 1.150 524 P CA 2.180 65.234 63.100 -0.075 0.000 0.814 524 P CB 0.130 31.818 31.700 -0.020 0.000 0.787 525 A N -0.064 122.710 122.820 -0.075 0.000 1.942 525 A HA 0.033 4.356 4.320 0.005 0.000 0.209 525 A C 1.350 178.876 177.584 -0.097 0.000 1.214 525 A CA 0.015 52.007 52.037 -0.076 0.000 0.686 525 A CB -0.845 18.121 19.000 -0.056 0.000 0.871 525 A HN 0.176 nan 8.150 nan 0.000 0.460 526 E N 0.740 120.883 120.200 -0.095 0.000 2.366 526 E HA 0.363 4.716 4.350 0.005 0.000 0.266 526 E C -0.443 176.097 176.600 -0.100 0.000 1.015 526 E CA 0.562 56.906 56.400 -0.092 0.000 0.906 526 E CB 0.219 29.871 29.700 -0.080 0.000 0.979 526 E HN 0.299 nan 8.360 nan 0.000 0.443 527 T N 4.300 118.796 114.554 -0.097 0.000 3.094 527 T HA 0.255 4.608 4.350 0.005 0.000 0.373 527 T C -2.962 171.686 174.700 -0.087 0.000 1.806 527 T CA -1.225 60.821 62.100 -0.091 0.000 1.107 527 T CB 1.202 70.010 68.868 -0.100 0.000 1.632 527 T HN 0.371 nan 8.240 nan 0.000 0.488 528 P HA 0.465 nan 4.420 nan 0.000 0.281 528 P C -0.857 176.409 177.300 -0.057 0.000 1.249 528 P CA -0.337 62.730 63.100 -0.055 0.000 0.810 528 P CB 0.744 32.420 31.700 -0.040 0.000 1.008 529 E N 0.282 120.457 120.200 -0.043 0.000 2.301 529 E HA 0.464 4.816 4.350 0.005 0.000 0.275 529 E C 0.998 177.586 176.600 -0.018 0.000 1.030 529 E CA -0.287 56.095 56.400 -0.030 0.000 0.852 529 E CB 0.369 30.074 29.700 0.009 0.000 1.060 529 E HN 0.754 nan 8.360 nan 0.000 0.401 530 G N 1.957 110.748 108.800 -0.015 0.000 2.536 530 G HA2 -0.474 3.488 3.960 0.005 0.000 0.280 530 G HA3 -0.474 3.488 3.960 0.005 0.000 0.280 530 G C 0.813 175.704 174.900 -0.015 0.000 1.152 530 G CA 0.575 45.668 45.100 -0.012 0.000 0.970 530 G HN 0.697 nan 8.290 nan 0.000 0.549 531 Q N -1.204 118.587 119.800 -0.014 0.000 2.612 531 Q HA -0.334 4.009 4.340 0.005 0.000 0.249 531 Q C 2.261 178.253 176.000 -0.014 0.000 1.066 531 Q CA 3.486 59.281 55.803 -0.014 0.000 1.013 531 Q CB -0.935 27.794 28.738 -0.015 0.000 0.934 531 Q HN 1.956 nan 8.270 nan 0.000 0.590 532 A N -0.373 122.438 122.820 -0.016 0.000 2.827 532 A HA 0.290 4.613 4.320 0.005 0.000 0.300 532 A C -0.237 177.335 177.584 -0.020 0.000 1.237 532 A CA -0.397 51.631 52.037 -0.015 0.000 0.964 532 A CB 0.119 19.112 19.000 -0.013 0.000 1.143 532 A HN 0.527 nan 8.150 nan 0.000 0.554 533 C N 0.295 119.581 119.300 -0.024 0.000 2.590 533 C HA 0.438 4.901 4.460 0.005 0.000 0.411 533 C C 1.884 176.855 174.990 -0.032 0.000 1.420 533 C CA 1.628 60.626 59.018 -0.033 0.000 1.643 533 C CB -1.390 26.328 27.740 -0.035 0.000 2.528 533 C HN 1.729 nan 8.230 nan 0.000 0.606 534 G N 4.627 113.402 108.800 -0.042 0.000 2.358 534 G HA2 -0.261 3.701 3.960 0.005 0.000 0.224 534 G HA3 -0.261 3.701 3.960 0.005 0.000 0.224 534 G C 0.725 175.606 174.900 -0.031 0.000 1.073 534 G CA 0.465 45.542 45.100 -0.038 0.000 0.635 534 G HN 0.725 nan 8.290 nan 0.000 0.509 535 L N 0.764 121.976 121.223 -0.019 0.000 2.027 535 L HA 0.110 4.453 4.340 0.005 0.000 0.206 535 L C 1.585 178.445 176.870 -0.017 0.000 1.074 535 L CA 1.095 55.931 54.840 -0.007 0.000 0.745 535 L CB -0.742 41.316 42.059 -0.002 0.000 0.898 535 L HN 0.195 nan 8.230 nan 0.000 0.433 536 V N 1.855 121.753 119.914 -0.027 0.000 2.508 536 V HA 0.139 4.262 4.120 0.005 0.000 0.281 536 V C 0.162 176.221 176.094 -0.059 0.000 1.041 536 V CA -0.104 62.176 62.300 -0.032 0.000 1.016 536 V CB 0.813 32.622 31.823 -0.024 0.000 0.984 536 V HN 0.251 nan 8.190 nan 0.000 0.478 537 K N 4.136 124.496 120.400 -0.068 0.000 2.433 537 K HA 0.607 4.930 4.320 0.005 0.000 0.252 537 K C -1.173 175.376 176.600 -0.084 0.000 1.015 537 K CA -0.960 55.261 56.287 -0.110 0.000 0.860 537 K CB 2.162 34.545 32.500 -0.195 0.000 1.359 537 K HN 0.525 nan 8.250 nan 0.000 0.452 538 N N 0.772 119.412 118.700 -0.100 0.000 2.265 538 N HA 0.431 5.174 4.740 0.005 0.000 0.300 538 N C -0.571 174.883 175.510 -0.093 0.000 1.148 538 N CA -0.707 52.298 53.050 -0.075 0.000 0.772 538 N CB 1.905 40.356 38.487 -0.060 0.000 1.434 538 N HN 0.306 nan 8.380 nan 0.000 0.481 539 L N 0.947 122.131 121.223 -0.064 0.000 2.399 539 L HA 0.352 4.695 4.340 0.005 0.000 0.266 539 L C 1.181 178.007 176.870 -0.074 0.000 1.114 539 L CA -0.573 54.227 54.840 -0.067 0.000 0.804 539 L CB 0.687 42.723 42.059 -0.038 0.000 1.146 539 L HN 0.449 nan 8.230 nan 0.000 0.451 540 S N 0.956 116.597 115.700 -0.100 0.000 2.680 540 S HA 0.086 4.559 4.470 0.005 0.000 0.249 540 S C 1.318 175.886 174.600 -0.054 0.000 1.358 540 S CA -0.343 57.794 58.200 -0.105 0.000 0.963 540 S CB 0.362 63.463 63.200 -0.164 0.000 0.984 540 S HN 0.471 nan 8.310 nan 0.000 0.584 541 L N -0.222 120.985 121.223 -0.026 0.000 2.084 541 L HA 0.139 4.482 4.340 0.005 0.000 0.202 541 L C 2.148 179.029 176.870 0.019 0.000 1.074 541 L CA 1.028 55.926 54.840 0.097 0.000 0.757 541 L CB -0.240 41.960 42.059 0.236 0.000 0.918 541 L HN 0.533 nan 8.230 nan 0.000 0.444 542 M N 0.383 119.868 119.600 -0.192 0.000 2.654 542 M HA 0.051 4.534 4.480 0.005 0.000 0.217 542 M C 0.267 176.294 176.300 -0.456 0.000 1.183 542 M CA -0.047 54.958 55.300 -0.491 0.000 0.991 542 M CB -0.090 32.074 32.600 -0.727 0.000 1.749 542 M HN 0.229 nan 8.290 nan 0.000 0.475 543 S N -1.645 113.890 115.700 -0.274 0.000 2.578 543 S HA 0.741 5.213 4.470 0.005 0.000 0.301 543 S C -0.379 174.043 174.600 -0.297 0.000 1.091 543 S CA -1.057 56.948 58.200 -0.326 0.000 1.032 543 S CB 2.005 65.076 63.200 -0.216 0.000 1.064 543 S HN 0.344 nan 8.310 nan 0.000 0.508 544 C N 0.531 119.525 119.300 -0.510 0.000 3.308 544 C HA 0.774 5.237 4.460 0.005 0.000 0.360 544 C C -0.906 173.943 174.990 -0.236 0.000 1.695 544 C CA -0.771 58.017 59.018 -0.383 0.000 1.366 544 C CB 0.486 27.956 27.740 -0.449 0.000 2.121 544 C HN 0.885 nan 8.230 nan 0.000 0.442 545 I N 1.031 121.635 120.570 0.056 0.000 2.608 545 I HA 0.380 4.553 4.170 0.005 0.000 0.295 545 I C 0.271 176.612 176.117 0.373 0.000 1.049 545 I CA 0.198 61.624 61.300 0.210 0.000 1.063 545 I CB 2.045 40.102 38.000 0.096 0.000 1.248 545 I HN 0.761 nan 8.210 nan 0.000 0.424 546 S N 4.658 120.532 115.700 0.290 0.000 2.515 546 S HA 0.100 4.573 4.470 0.005 0.000 0.285 546 S C 0.863 175.505 174.600 0.070 0.000 1.265 546 S CA -0.437 57.830 58.200 0.111 0.000 1.079 546 S CB 0.987 64.182 63.200 -0.008 0.000 0.877 546 S HN 0.549 nan 8.310 nan 0.000 0.493 547 V N 3.840 123.785 119.914 0.052 0.000 2.488 547 V HA 0.324 4.447 4.120 0.005 0.000 0.246 547 V C 1.302 177.380 176.094 -0.026 0.000 1.046 547 V CA 1.686 63.997 62.300 0.017 0.000 1.053 547 V CB -0.747 31.081 31.823 0.008 0.000 0.679 547 V HN 1.614 nan 8.190 nan 0.000 0.458 548 G N 0.601 109.374 108.800 -0.046 0.000 2.768 548 G HA2 -0.104 3.859 3.960 0.005 0.000 0.666 548 G HA3 -0.104 3.859 3.960 0.005 0.000 0.666 548 G C -0.265 174.588 174.900 -0.078 0.000 1.162 548 G CA -0.166 44.904 45.100 -0.049 0.000 1.226 548 G HN 0.472 nan 8.290 nan 0.000 0.535 549 T N 0.724 115.234 114.554 -0.072 0.000 2.801 549 T HA 0.517 4.870 4.350 0.005 0.000 0.324 549 T C 0.292 174.962 174.700 -0.050 0.000 1.088 549 T CA 0.379 62.432 62.100 -0.080 0.000 0.975 549 T CB 0.893 69.713 68.868 -0.080 0.000 1.316 549 T HN 0.626 nan 8.240 nan 0.000 0.533 550 D N -0.040 120.336 120.400 -0.041 0.000 2.362 550 D HA 0.421 5.064 4.640 0.005 0.000 0.247 550 D C -1.699 174.585 176.300 -0.026 0.000 1.050 550 D CA -2.234 51.754 54.000 -0.020 0.000 0.839 550 D CB 1.666 42.465 40.800 -0.003 0.000 1.283 550 D HN 0.055 nan 8.370 nan 0.000 0.477 551 P HA -0.068 nan 4.420 nan 0.000 0.217 551 P C 1.647 178.911 177.300 -0.060 0.000 1.154 551 P CA 1.081 64.158 63.100 -0.037 0.000 0.841 551 P CB -0.080 31.611 31.700 -0.014 0.000 0.790 552 M N 0.886 120.462 119.600 -0.040 0.000 2.471 552 M HA -0.152 4.331 4.480 0.005 0.000 0.260 552 M C -0.514 175.762 176.300 -0.041 0.000 1.065 552 M CA 2.787 58.063 55.300 -0.040 0.000 1.075 552 M CB -3.345 29.247 32.600 -0.014 0.000 1.258 552 M HN -0.058 nan 8.290 nan 0.000 0.457 553 P HA -0.135 nan 4.420 nan 0.000 0.222 553 P C 1.574 178.865 177.300 -0.015 0.000 1.142 553 P CA 1.425 64.516 63.100 -0.015 0.000 0.788 553 P CB -0.363 31.323 31.700 -0.022 0.000 0.767 554 I N -0.375 120.166 120.570 -0.050 0.000 2.270 554 I HA -0.133 4.040 4.170 0.005 0.000 0.239 554 I C 2.537 178.622 176.117 -0.052 0.000 1.080 554 I CA 0.608 61.875 61.300 -0.055 0.000 1.383 554 I CB -1.287 36.653 38.000 -0.100 0.000 1.097 554 I HN -0.130 nan 8.210 nan 0.000 0.420 555 I N 1.241 121.722 120.570 -0.149 0.000 2.203 555 I HA -0.423 3.750 4.170 0.005 0.000 0.237 555 I C 2.608 178.671 176.117 -0.090 0.000 0.993 555 I CA 2.038 63.207 61.300 -0.219 0.000 1.277 555 I CB -2.020 35.847 38.000 -0.222 0.000 0.984 555 I HN 0.234 nan 8.210 nan 0.000 0.402 556 T N 0.789 115.325 114.554 -0.029 0.000 2.635 556 T HA -0.251 4.102 4.350 0.005 0.000 0.267 556 T C 1.754 176.485 174.700 0.052 0.000 1.040 556 T CA 1.893 64.003 62.100 0.016 0.000 1.156 556 T CB -0.593 68.297 68.868 0.037 0.000 0.863 556 T HN 0.358 nan 8.240 nan 0.000 0.430 557 F N 1.410 121.325 119.950 -0.058 0.000 2.202 557 F HA -0.050 4.480 4.527 0.005 0.000 0.301 557 F C 1.771 177.557 175.800 -0.024 0.000 1.082 557 F CA 1.067 59.029 58.000 -0.063 0.000 1.313 557 F CB -0.351 38.532 39.000 -0.195 0.000 1.024 557 F HN 0.095 nan 8.300 nan 0.000 0.495 558 L N -0.226 120.973 121.223 -0.040 0.000 2.044 558 L HA -0.161 4.182 4.340 0.005 0.000 0.205 558 L C 2.763 179.589 176.870 -0.073 0.000 1.075 558 L CA 1.298 56.082 54.840 -0.093 0.000 0.747 558 L CB -1.230 40.788 42.059 -0.067 0.000 0.903 558 L HN 0.229 nan 8.230 nan 0.000 0.435 559 S N -0.813 114.855 115.700 -0.052 0.000 2.442 559 S HA -0.229 4.244 4.470 0.005 0.000 0.236 559 S C 1.541 176.124 174.600 -0.028 0.000 1.007 559 S CA 1.133 59.315 58.200 -0.031 0.000 0.965 559 S CB -0.344 62.843 63.200 -0.022 0.000 0.773 559 S HN 0.495 nan 8.310 nan 0.000 0.504 560 E N -0.798 119.384 120.200 -0.031 0.000 2.423 560 E HA 0.180 4.533 4.350 0.005 0.000 0.198 560 E C -1.306 175.266 176.600 -0.047 0.000 1.038 560 E CA -0.399 55.985 56.400 -0.028 0.000 1.011 560 E CB 0.281 29.995 29.700 0.024 0.000 1.118 560 E HN 0.691 nan 8.360 nan 0.000 0.451 561 W N -0.509 120.595 121.300 -0.327 0.000 1.067 561 W HA 0.290 4.953 4.660 0.005 0.000 0.313 561 W C 0.674 177.133 176.519 -0.099 0.000 0.868 561 W CA 0.135 57.292 57.345 -0.314 0.000 1.561 561 W CB 0.790 29.865 29.460 -0.643 0.000 1.608 561 W HN 0.234 nan 8.180 nan 0.000 0.485 562 G N 1.607 110.449 108.800 0.071 0.000 4.365 562 G HA2 -0.412 3.551 3.960 0.005 0.000 0.214 562 G HA3 -0.412 3.551 3.960 0.005 0.000 0.214 562 G C 0.777 175.800 174.900 0.205 0.000 1.450 562 G CA 0.031 45.239 45.100 0.180 0.000 0.937 562 G HN 0.551 nan 8.290 nan 0.000 0.625 563 M N 2.789 122.564 119.600 0.292 0.000 2.376 563 M HA 0.180 4.663 4.480 0.005 0.000 0.496 563 M C -0.024 176.303 176.300 0.044 0.000 1.526 563 M CA 1.092 56.490 55.300 0.163 0.000 0.829 563 M CB -0.327 32.275 32.600 0.004 0.000 1.999 563 M HN 0.441 nan 8.290 nan 0.000 0.529 564 E N 7.762 127.970 120.200 0.012 0.000 2.290 564 E HA 0.281 4.634 4.350 0.005 0.000 0.277 564 E C -2.064 174.470 176.600 -0.110 0.000 1.035 564 E CA -1.725 54.648 56.400 -0.046 0.000 0.873 564 E CB 0.365 30.037 29.700 -0.048 0.000 1.029 564 E HN 0.535 nan 8.360 nan 0.000 0.419 565 P HA -0.110 nan 4.420 nan 0.000 0.272 565 P C 0.466 177.624 177.300 -0.236 0.000 1.248 565 P CA -0.248 62.776 63.100 -0.126 0.000 0.799 565 P CB 0.793 32.464 31.700 -0.049 0.000 0.997 566 L N 0.809 121.856 121.223 -0.293 0.000 2.072 566 L HA -0.134 4.209 4.340 0.005 0.000 0.205 566 L C 2.320 178.986 176.870 -0.340 0.000 1.079 566 L CA 1.798 56.323 54.840 -0.525 0.000 0.752 566 L CB -1.361 40.370 42.059 -0.547 0.000 0.906 566 L HN 0.336 nan 8.230 nan 0.000 0.436 567 E N -1.062 119.095 120.200 -0.073 0.000 2.209 567 E HA -0.213 4.140 4.350 0.005 0.000 0.196 567 E C 0.320 176.970 176.600 0.083 0.000 0.993 567 E CA 0.997 57.444 56.400 0.078 0.000 0.819 567 E CB -0.722 29.026 29.700 0.080 0.000 0.745 567 E HN 0.452 nan 8.360 nan 0.000 0.477 568 D N 0.214 120.620 120.400 0.010 0.000 3.072 568 D HA 0.064 4.707 4.640 0.005 0.000 0.250 568 D C -1.165 175.177 176.300 0.069 0.000 1.304 568 D CA -0.146 53.875 54.000 0.034 0.000 0.861 568 D CB -0.680 40.123 40.800 0.005 0.000 1.062 568 D HN 0.091 nan 8.370 nan 0.000 0.481 569 Y N 1.040 121.271 120.300 -0.114 0.000 2.345 569 Y HA 0.337 4.890 4.550 0.005 0.000 0.331 569 Y C -0.630 175.296 175.900 0.043 0.000 0.959 569 Y CA -1.691 56.295 58.100 -0.189 0.000 1.204 569 Y CB 0.969 39.028 38.460 -0.668 0.000 1.135 569 Y HN -0.155 nan 8.280 nan 0.000 0.477 570 V N 7.548 127.300 119.914 -0.271 0.000 2.288 570 V HA 0.382 4.505 4.120 0.005 0.000 0.266 570 V C -2.164 173.585 176.094 -0.575 0.000 1.048 570 V CA -1.663 60.471 62.300 -0.278 0.000 0.842 570 V CB 1.016 32.751 31.823 -0.148 0.000 1.064 570 V HN 0.645 nan 8.190 nan 0.000 0.472 571 P HA -0.101 nan 4.420 nan 0.000 0.225 571 P C 1.145 178.417 177.300 -0.047 0.000 1.156 571 P CA 1.263 64.106 63.100 -0.427 0.000 0.787 571 P CB -0.020 31.656 31.700 -0.041 0.000 0.802 572 H N -0.762 118.264 119.070 -0.075 0.000 2.547 572 H HA 0.155 4.714 4.556 0.005 0.000 0.266 572 H C 1.394 176.715 175.328 -0.011 0.000 0.988 572 H CA 0.432 56.473 56.048 -0.011 0.000 1.147 572 H CB 0.030 29.788 29.762 -0.006 0.000 1.365 572 H HN 0.241 nan 8.280 nan 0.000 0.589 573 Q N 0.703 120.213 119.800 -0.483 0.000 2.279 573 Q HA 0.151 4.494 4.340 0.005 0.000 0.261 573 Q C -0.238 175.664 176.000 -0.163 0.000 0.796 573 Q CA -0.045 55.529 55.803 -0.381 0.000 0.971 573 Q CB 1.030 29.456 28.738 -0.521 0.000 1.179 573 Q HN 0.197 nan 8.270 nan 0.000 0.505 574 S N 3.470 119.100 115.700 -0.117 0.000 2.790 574 S HA 0.269 4.742 4.470 0.005 0.000 0.202 574 S C -2.171 172.474 174.600 0.075 0.000 1.383 574 S CA -1.027 57.179 58.200 0.010 0.000 1.026 574 S CB 1.461 64.731 63.200 0.116 0.000 1.253 574 S HN 0.357 nan 8.310 nan 0.000 0.489 575 P HA 0.087 nan 4.420 nan 0.000 0.220 575 P C 0.359 177.713 177.300 0.090 0.000 1.154 575 P CA 0.559 63.714 63.100 0.091 0.000 0.837 575 P CB 0.135 31.878 31.700 0.071 0.000 0.815 576 D N 0.590 121.025 120.400 0.058 0.000 2.348 576 D HA 0.102 4.745 4.640 0.005 0.000 0.248 576 D C 0.523 176.849 176.300 0.043 0.000 1.142 576 D CA 0.269 54.297 54.000 0.046 0.000 0.904 576 D CB 0.004 40.818 40.800 0.024 0.000 0.901 576 D HN 0.164 nan 8.370 nan 0.000 0.523 577 A N 0.903 123.763 122.820 0.067 0.000 2.409 577 A HA 0.256 4.578 4.320 0.005 0.000 0.267 577 A C 0.530 178.145 177.584 0.052 0.000 1.127 577 A CA -0.087 51.984 52.037 0.057 0.000 0.795 577 A CB 0.509 19.573 19.000 0.107 0.000 1.061 577 A HN -0.069 nan 8.150 nan 0.000 0.502 578 T N 3.823 118.409 114.554 0.052 0.000 2.780 578 T HA 0.375 4.728 4.350 0.005 0.000 0.294 578 T C 0.556 175.281 174.700 0.042 0.000 0.949 578 T CA -0.252 61.885 62.100 0.061 0.000 1.074 578 T CB 0.150 69.076 68.868 0.096 0.000 0.910 578 T HN 0.741 nan 8.240 nan 0.000 0.501 579 R N 1.789 122.286 120.500 -0.005 0.000 2.531 579 R HA 0.681 5.024 4.340 0.005 0.000 0.273 579 R C -1.081 175.185 176.300 -0.056 0.000 1.070 579 R CA -0.835 55.242 56.100 -0.038 0.000 1.112 579 R CB 0.556 30.749 30.300 -0.178 0.000 1.049 579 R HN 0.274 nan 8.270 nan 0.000 0.508 580 V N 3.163 123.043 119.914 -0.057 0.000 2.444 580 V HA 0.386 4.509 4.120 0.005 0.000 0.294 580 V C -0.862 175.147 176.094 -0.142 0.000 1.022 580 V CA -0.596 61.680 62.300 -0.040 0.000 0.850 580 V CB 1.055 32.874 31.823 -0.007 0.000 0.992 580 V HN 0.557 nan 8.190 nan 0.000 0.426 581 F N 3.447 123.334 119.950 -0.106 0.000 2.497 581 F HA 0.810 5.340 4.527 0.005 0.000 0.331 581 F C 0.138 175.883 175.800 -0.092 0.000 1.060 581 F CA -0.797 57.137 58.000 -0.109 0.000 0.989 581 F CB 2.026 40.871 39.000 -0.258 0.000 1.245 581 F HN 0.172 nan 8.300 nan 0.000 0.486 582 V N 1.877 121.902 119.914 0.184 0.000 2.737 582 V HA 0.211 4.334 4.120 0.005 0.000 0.298 582 V C -0.726 175.381 176.094 0.022 0.000 1.163 582 V CA -1.216 61.098 62.300 0.022 0.000 0.925 582 V CB 1.663 33.500 31.823 0.023 0.000 1.037 582 V HN 0.801 nan 8.190 nan 0.000 0.433 583 N N 3.660 122.269 118.700 -0.151 0.000 2.681 583 N HA -0.214 4.529 4.740 0.005 0.000 0.250 583 N C 0.978 176.551 175.510 0.105 0.000 1.133 583 N CA 2.330 55.404 53.050 0.040 0.000 0.732 583 N CB -0.916 37.641 38.487 0.117 0.000 1.107 583 N HN 1.743 nan 8.380 nan 0.000 0.559 584 G N -3.415 105.417 108.800 0.053 0.000 2.131 584 G HA2 -0.203 3.759 3.960 0.005 0.000 0.223 584 G HA3 -0.203 3.759 3.960 0.005 0.000 0.223 584 G C -0.208 174.859 174.900 0.279 0.000 0.990 584 G CA 0.059 45.287 45.100 0.213 0.000 0.671 584 G HN 0.509 nan 8.290 nan 0.000 0.521 585 V N -0.036 119.961 119.914 0.138 0.000 2.628 585 V HA 0.685 4.807 4.120 0.005 0.000 0.306 585 V C -0.087 175.851 176.094 -0.260 0.000 1.045 585 V CA -1.051 61.128 62.300 -0.203 0.000 0.905 585 V CB 1.889 33.479 31.823 -0.388 0.000 0.997 585 V HN 0.292 nan 8.190 nan 0.000 0.436 586 W N 4.648 125.559 121.300 -0.648 0.000 2.292 586 W HA 0.420 5.082 4.660 0.005 0.000 0.352 586 W C 0.973 177.131 176.519 -0.602 0.000 0.962 586 W CA -0.901 55.992 57.345 -0.754 0.000 1.496 586 W CB -0.211 28.890 29.460 -0.599 0.000 1.381 586 W HN 0.718 nan 8.180 nan 0.000 0.363 587 H N 3.013 122.006 119.070 -0.128 0.000 2.547 587 H HA 0.180 4.739 4.556 0.005 0.000 0.266 587 H C 1.412 176.586 175.328 -0.257 0.000 0.988 587 H CA 1.264 57.200 56.048 -0.186 0.000 1.147 587 H CB 0.335 30.019 29.762 -0.131 0.000 1.365 587 H HN 0.568 nan 8.280 nan 0.000 0.589 588 G N -0.096 108.530 108.800 -0.290 0.000 2.250 588 G HA2 -0.066 3.897 3.960 0.005 0.000 0.189 588 G HA3 -0.066 3.897 3.960 0.005 0.000 0.189 588 G C -1.268 173.464 174.900 -0.280 0.000 1.298 588 G CA -0.196 44.590 45.100 -0.522 0.000 1.246 588 G HN 0.154 nan 8.290 nan 0.000 0.513 589 V N -0.055 119.696 119.914 -0.271 0.000 3.181 589 V HA 0.898 5.021 4.120 0.005 0.000 0.308 589 V C -0.609 175.487 176.094 0.003 0.000 1.214 589 V CA -0.387 61.799 62.300 -0.191 0.000 1.053 589 V CB 2.184 33.717 31.823 -0.483 0.000 1.069 589 V HN 1.336 nan 8.190 nan 0.000 0.441 590 H N 1.073 120.094 119.070 -0.081 0.000 3.037 590 H HA 0.750 5.309 4.556 0.005 0.000 0.355 590 H C -1.145 174.180 175.328 -0.005 0.000 1.263 590 H CA -0.894 55.135 56.048 -0.031 0.000 1.129 590 H CB 1.787 31.546 29.762 -0.006 0.000 1.861 590 H HN 0.591 nan 8.280 nan 0.000 0.546 591 R N 2.855 122.979 120.500 -0.627 0.000 2.473 591 R HA 0.382 4.725 4.340 0.005 0.000 0.303 591 R C -0.693 175.359 176.300 -0.413 0.000 1.002 591 R CA -0.860 55.027 56.100 -0.355 0.000 0.884 591 R CB 0.819 30.995 30.300 -0.207 0.000 1.173 591 R HN 0.742 nan 8.270 nan 0.000 0.464 592 N N 1.449 120.054 118.700 -0.159 0.000 3.158 592 N HA -0.082 4.661 4.740 0.005 0.000 0.245 592 N C -1.699 173.884 175.510 0.123 0.000 1.123 592 N CA 0.426 53.455 53.050 -0.034 0.000 0.791 592 N CB -0.503 37.949 38.487 -0.058 0.000 1.117 592 N HN 0.524 nan 8.380 nan 0.000 0.545 593 P HA -0.149 nan 4.420 nan 0.000 0.221 593 P C 1.321 178.729 177.300 0.181 0.000 1.141 593 P CA 1.686 64.981 63.100 0.325 0.000 0.794 593 P CB -0.203 31.637 31.700 0.232 0.000 0.764 594 A N -0.040 122.859 122.820 0.132 0.000 2.032 594 A HA -0.218 4.104 4.320 0.005 0.000 0.221 594 A C 2.396 180.045 177.584 0.108 0.000 1.165 594 A CA 1.771 53.867 52.037 0.098 0.000 0.645 594 A CB -0.933 18.111 19.000 0.074 0.000 0.807 594 A HN 0.174 nan 8.150 nan 0.000 0.453 595 R N -1.920 118.668 120.500 0.146 0.000 2.103 595 R HA 0.172 4.515 4.340 0.005 0.000 0.212 595 R C 2.007 178.419 176.300 0.187 0.000 1.107 595 R CA 0.660 56.859 56.100 0.166 0.000 1.025 595 R CB -0.438 29.976 30.300 0.191 0.000 0.929 595 R HN 0.427 nan 8.270 nan 0.000 0.456 596 L N 0.718 122.077 121.223 0.226 0.000 2.151 596 L HA -0.221 4.122 4.340 0.005 0.000 0.215 596 L C 1.953 178.857 176.870 0.058 0.000 1.084 596 L CA 1.834 56.762 54.840 0.146 0.000 0.764 596 L CB -0.233 41.821 42.059 -0.008 0.000 0.891 596 L HN 0.187 nan 8.230 nan 0.000 0.435 597 M N -0.431 119.207 119.600 0.065 0.000 2.115 597 M HA -0.089 4.394 4.480 0.005 0.000 0.261 597 M C 2.200 178.514 176.300 0.023 0.000 1.079 597 M CA 1.923 57.242 55.300 0.032 0.000 1.143 597 M CB -0.482 32.146 32.600 0.047 0.000 1.332 597 M HN 0.394 nan 8.290 nan 0.000 0.421 598 E N -0.875 119.355 120.200 0.049 0.000 2.136 598 E HA -0.221 4.131 4.350 0.005 0.000 0.202 598 E C 1.498 178.106 176.600 0.013 0.000 1.019 598 E CA 2.627 59.053 56.400 0.042 0.000 0.819 598 E CB -0.391 29.349 29.700 0.067 0.000 0.739 598 E HN 0.564 nan 8.360 nan 0.000 0.458 599 T N 0.840 115.400 114.554 0.010 0.000 2.896 599 T HA -0.005 4.348 4.350 0.005 0.000 0.263 599 T C 1.642 176.233 174.700 -0.182 0.000 1.050 599 T CA 0.700 62.758 62.100 -0.070 0.000 1.140 599 T CB -0.059 68.754 68.868 -0.092 0.000 0.877 599 T HN 0.092 nan 8.240 nan 0.000 0.457 600 L N 0.878 122.010 121.223 -0.151 0.000 2.046 600 L HA -0.012 4.331 4.340 0.005 0.000 0.208 600 L C 2.660 179.436 176.870 -0.158 0.000 1.077 600 L CA 1.662 56.382 54.840 -0.200 0.000 0.747 600 L CB -0.748 41.234 42.059 -0.129 0.000 0.896 600 L HN 0.226 nan 8.230 nan 0.000 0.432 601 R N -0.636 119.813 120.500 -0.084 0.000 2.075 601 R HA -0.150 4.193 4.340 0.005 0.000 0.230 601 R C 2.198 178.450 176.300 -0.080 0.000 1.140 601 R CA 2.209 58.275 56.100 -0.056 0.000 0.928 601 R CB -0.685 29.612 30.300 -0.005 0.000 0.834 601 R HN 0.271 nan 8.270 nan 0.000 0.429 602 T N 1.370 115.880 114.554 -0.072 0.000 2.714 602 T HA -0.193 4.160 4.350 0.005 0.000 0.268 602 T C 1.665 176.296 174.700 -0.115 0.000 1.036 602 T CA 1.408 63.465 62.100 -0.072 0.000 1.148 602 T CB -0.184 68.655 68.868 -0.048 0.000 0.856 602 T HN 0.161 nan 8.240 nan 0.000 0.462 603 L N -0.053 121.062 121.223 -0.180 0.000 2.270 603 L HA 0.133 4.476 4.340 0.005 0.000 0.210 603 L C 2.857 179.607 176.870 -0.200 0.000 1.104 603 L CA 0.616 55.323 54.840 -0.223 0.000 0.804 603 L CB -0.440 41.401 42.059 -0.363 0.000 0.937 603 L HN 0.118 nan 8.230 nan 0.000 0.450 604 R N 0.981 121.372 120.500 -0.182 0.000 2.075 604 R HA -0.107 4.236 4.340 0.005 0.000 0.232 604 R C 2.252 178.463 176.300 -0.147 0.000 1.126 604 R CA 1.254 57.257 56.100 -0.163 0.000 0.963 604 R CB -0.009 30.209 30.300 -0.138 0.000 0.858 604 R HN 0.280 nan 8.270 nan 0.000 0.435 605 R N 0.009 120.438 120.500 -0.117 0.000 2.193 605 R HA -0.028 4.315 4.340 0.005 0.000 0.213 605 R C 2.127 178.365 176.300 -0.104 0.000 1.055 605 R CA 0.970 57.011 56.100 -0.098 0.000 0.995 605 R CB 0.012 30.278 30.300 -0.055 0.000 0.893 605 R HN 0.133 nan 8.270 nan 0.000 0.459 606 K N -0.649 119.688 120.400 -0.104 0.000 2.356 606 K HA 0.002 4.325 4.320 0.005 0.000 0.195 606 K C 0.605 177.134 176.600 -0.118 0.000 1.037 606 K CA 0.798 57.027 56.287 -0.098 0.000 1.014 606 K CB 0.625 33.077 32.500 -0.082 0.000 0.815 606 K HN 0.290 nan 8.250 nan 0.000 0.507 607 G N 1.021 109.737 108.800 -0.140 0.000 2.144 607 G HA2 -0.194 3.769 3.960 0.005 0.000 0.218 607 G HA3 -0.194 3.769 3.960 0.005 0.000 0.218 607 G C 0.302 175.116 174.900 -0.143 0.000 0.988 607 G CA 0.332 45.340 45.100 -0.153 0.000 0.659 607 G HN 0.366 nan 8.290 nan 0.000 0.522 608 D N -0.209 120.103 120.400 -0.147 0.000 2.149 608 D HA 0.022 4.664 4.640 0.005 0.000 0.201 608 D C 1.017 177.211 176.300 -0.176 0.000 0.972 608 D CA 0.745 54.656 54.000 -0.149 0.000 0.835 608 D CB 0.345 41.052 40.800 -0.156 0.000 0.966 608 D HN 0.311 nan 8.370 nan 0.000 0.476 609 I N 1.977 122.420 120.570 -0.210 0.000 2.336 609 I HA 0.066 4.239 4.170 0.005 0.000 0.292 609 I C 0.644 176.653 176.117 -0.180 0.000 0.991 609 I CA -1.236 59.936 61.300 -0.212 0.000 1.227 609 I CB 0.526 38.364 38.000 -0.270 0.000 1.366 609 I HN -0.119 nan 8.210 nan 0.000 0.466 610 N N 8.331 126.937 118.700 -0.158 0.000 2.052 610 N HA -0.120 4.623 4.740 0.005 0.000 0.283 610 N C -1.705 173.696 175.510 -0.183 0.000 1.272 610 N CA -0.260 52.696 53.050 -0.156 0.000 0.810 610 N CB 0.986 39.392 38.487 -0.135 0.000 1.042 610 N HN 0.322 nan 8.380 nan 0.000 0.483 611 P HA -0.063 nan 4.420 nan 0.000 0.222 611 P C 0.940 178.076 177.300 -0.274 0.000 1.147 611 P CA 0.843 63.766 63.100 -0.295 0.000 0.790 611 P CB 0.325 31.749 31.700 -0.460 0.000 0.780 612 E N -0.148 119.908 120.200 -0.240 0.000 2.013 612 E HA -0.120 4.233 4.350 0.005 0.000 0.202 612 E C 0.377 176.836 176.600 -0.234 0.000 1.018 612 E CA 0.792 57.036 56.400 -0.259 0.000 0.834 612 E CB -0.745 28.837 29.700 -0.197 0.000 0.770 612 E HN -0.104 nan 8.360 nan 0.000 0.459 613 V N 1.949 121.768 119.914 -0.158 0.000 2.839 613 V HA -0.164 3.959 4.120 0.005 0.000 0.296 613 V C 0.335 176.387 176.094 -0.070 0.000 1.239 613 V CA 0.946 63.187 62.300 -0.098 0.000 1.349 613 V CB 0.314 32.080 31.823 -0.095 0.000 0.852 613 V HN 0.319 nan 8.190 nan 0.000 0.504 614 S N 7.645 123.339 115.700 -0.010 0.000 2.478 614 S HA 0.783 5.255 4.470 0.005 0.000 0.312 614 S C -0.846 173.790 174.600 0.061 0.000 1.094 614 S CA -0.983 57.233 58.200 0.026 0.000 1.081 614 S CB 1.352 64.578 63.200 0.043 0.000 1.007 614 S HN 0.588 nan 8.310 nan 0.000 0.475 615 M N 4.019 123.641 119.600 0.036 0.000 2.125 615 M HA 0.467 4.950 4.480 0.005 0.000 0.321 615 M C -1.489 174.838 176.300 0.046 0.000 0.983 615 M CA -0.520 54.794 55.300 0.023 0.000 0.934 615 M CB 1.450 34.042 32.600 -0.013 0.000 1.542 615 M HN 0.499 nan 8.290 nan 0.000 0.424 616 I N 3.251 123.850 120.570 0.049 0.000 2.412 616 I HA 0.305 4.478 4.170 0.005 0.000 0.279 616 I C 0.006 176.148 176.117 0.042 0.000 1.063 616 I CA -0.285 61.050 61.300 0.059 0.000 1.193 616 I CB 0.810 38.856 38.000 0.076 0.000 1.370 616 I HN 0.541 nan 8.210 nan 0.000 0.479 617 R N 3.889 124.417 120.500 0.047 0.000 2.316 617 R HA 0.240 4.583 4.340 0.005 0.000 0.314 617 R C -0.530 175.797 176.300 0.046 0.000 1.069 617 R CA 0.301 56.428 56.100 0.045 0.000 0.959 617 R CB 0.312 30.642 30.300 0.049 0.000 0.987 617 R HN 0.356 nan 8.270 nan 0.000 0.446 618 D N 6.538 126.963 120.400 0.041 0.000 2.483 618 D HA 0.128 4.771 4.640 0.005 0.000 0.281 618 D C 1.272 177.596 176.300 0.040 0.000 1.174 618 D CA -0.332 53.691 54.000 0.038 0.000 0.938 618 D CB 0.441 41.257 40.800 0.027 0.000 1.002 618 D HN 0.469 nan 8.370 nan 0.000 0.501 619 I N 1.445 122.040 120.570 0.041 0.000 2.103 619 I HA -0.376 3.797 4.170 0.005 0.000 0.241 619 I C 2.020 178.162 176.117 0.041 0.000 1.036 619 I CA 1.644 62.968 61.300 0.041 0.000 1.300 619 I CB -0.620 37.402 38.000 0.036 0.000 1.010 619 I HN 0.318 nan 8.210 nan 0.000 0.406 620 R N 0.089 120.611 120.500 0.036 0.000 2.200 620 R HA -0.082 4.261 4.340 0.005 0.000 0.208 620 R C 1.795 178.118 176.300 0.040 0.000 1.033 620 R CA 0.557 56.678 56.100 0.035 0.000 1.000 620 R CB -0.171 30.145 30.300 0.028 0.000 0.906 620 R HN 0.253 nan 8.270 nan 0.000 0.462 621 E N 1.243 121.467 120.200 0.041 0.000 2.474 621 E HA 0.047 4.400 4.350 0.005 0.000 0.195 621 E C -0.614 176.023 176.600 0.061 0.000 1.039 621 E CA 0.033 56.461 56.400 0.048 0.000 0.881 621 E CB 0.088 29.810 29.700 0.038 0.000 0.970 621 E HN 0.022 nan 8.360 nan 0.000 0.486 622 K N 1.229 121.662 120.400 0.056 0.000 3.393 622 K HA -0.209 4.114 4.320 0.005 0.000 0.272 622 K C -0.930 175.703 176.600 0.054 0.000 1.004 622 K CA 0.920 57.242 56.287 0.058 0.000 0.764 622 K CB -1.264 31.276 32.500 0.067 0.000 1.373 622 K HN 0.273 nan 8.250 nan 0.000 0.458 623 E N 0.243 120.474 120.200 0.051 0.000 2.383 623 E HA 0.534 4.886 4.350 0.005 0.000 0.275 623 E C -1.376 175.256 176.600 0.053 0.000 0.918 623 E CA -1.223 55.210 56.400 0.056 0.000 0.764 623 E CB 1.961 31.689 29.700 0.047 0.000 1.252 623 E HN 0.051 nan 8.360 nan 0.000 0.449 624 L N 1.804 123.068 121.223 0.068 0.000 2.518 624 L HA 0.357 4.700 4.340 0.005 0.000 0.262 624 L C -1.708 175.190 176.870 0.046 0.000 0.982 624 L CA -0.448 54.418 54.840 0.043 0.000 0.873 624 L CB 0.921 42.999 42.059 0.031 0.000 1.198 624 L HN 0.407 nan 8.230 nan 0.000 0.427 625 K N 6.299 126.694 120.400 -0.008 0.000 2.389 625 K HA 0.570 4.893 4.320 0.005 0.000 0.261 625 K C -0.925 175.576 176.600 -0.165 0.000 1.014 625 K CA -0.550 55.675 56.287 -0.103 0.000 0.920 625 K CB 1.462 33.797 32.500 -0.276 0.000 1.149 625 K HN 0.447 nan 8.250 nan 0.000 0.444 626 I N 3.601 124.078 120.570 -0.156 0.000 2.301 626 I HA 0.227 4.399 4.170 0.005 0.000 0.292 626 I C -0.228 175.789 176.117 -0.168 0.000 1.046 626 I CA -0.188 61.043 61.300 -0.114 0.000 1.282 626 I CB 0.008 37.960 38.000 -0.081 0.000 1.409 626 I HN 0.386 nan 8.210 nan 0.000 0.484 627 F N 3.898 123.835 119.950 -0.021 0.000 2.379 627 F HA 0.440 4.969 4.527 0.005 0.000 0.332 627 F C 1.065 176.837 175.800 -0.046 0.000 1.096 627 F CA -0.002 57.982 58.000 -0.027 0.000 1.105 627 F CB 1.586 40.563 39.000 -0.039 0.000 1.189 627 F HN 0.383 nan 8.300 nan 0.000 0.515 628 T N 0.255 114.958 114.554 0.249 0.000 3.567 628 T HA 0.042 4.395 4.350 0.005 0.000 0.314 628 T C -0.794 173.954 174.700 0.080 0.000 0.942 628 T CA -0.476 61.680 62.100 0.094 0.000 0.997 628 T CB -0.386 68.502 68.868 0.033 0.000 1.205 628 T HN 0.376 nan 8.240 nan 0.000 0.518 629 D N 2.202 122.670 120.400 0.113 0.000 2.382 629 D HA 0.476 5.119 4.640 0.005 0.000 0.240 629 D C 0.238 176.534 176.300 -0.007 0.000 1.146 629 D CA 0.001 54.028 54.000 0.044 0.000 0.897 629 D CB 0.812 41.613 40.800 0.001 0.000 1.197 629 D HN 0.340 nan 8.370 nan 0.000 0.432 630 A N 1.897 124.715 122.820 -0.003 0.000 2.650 630 A HA 0.571 4.894 4.320 0.005 0.000 0.320 630 A C 0.815 178.394 177.584 -0.009 0.000 1.466 630 A CA 0.276 52.311 52.037 -0.003 0.000 1.099 630 A CB -0.394 18.611 19.000 0.008 0.000 1.136 630 A HN 0.659 nan 8.150 nan 0.000 0.532 631 G N 1.920 110.708 108.800 -0.019 0.000 3.268 631 G HA2 -0.058 3.905 3.960 0.005 0.000 0.220 631 G HA3 -0.058 3.905 3.960 0.005 0.000 0.220 631 G C 0.122 174.973 174.900 -0.082 0.000 0.942 631 G CA -0.812 44.267 45.100 -0.036 0.000 0.918 631 G HN 0.680 nan 8.290 nan 0.000 0.658 632 R N 0.400 120.854 120.500 -0.077 0.000 2.539 632 R HA 0.552 4.895 4.340 0.005 0.000 0.275 632 R C 0.438 176.765 176.300 0.044 0.000 1.077 632 R CA -0.241 55.802 56.100 -0.095 0.000 1.097 632 R CB 1.388 31.625 30.300 -0.105 0.000 1.018 632 R HN 0.104 nan 8.270 nan 0.000 0.483 633 V N 2.256 122.179 119.914 0.016 0.000 2.837 633 V HA 0.584 4.707 4.120 0.005 0.000 0.310 633 V C -0.450 175.802 176.094 0.264 0.000 1.059 633 V CA -0.778 61.604 62.300 0.137 0.000 1.004 633 V CB 0.744 32.642 31.823 0.125 0.000 1.045 633 V HN 0.891 nan 8.190 nan 0.000 0.465 634 Y N 0.512 120.816 120.300 0.007 0.000 2.741 634 Y HA 0.839 5.392 4.550 0.005 0.000 0.339 634 Y C -0.757 175.079 175.900 -0.107 0.000 1.226 634 Y CA -1.583 56.505 58.100 -0.020 0.000 1.072 634 Y CB 1.369 39.828 38.460 -0.002 0.000 1.331 634 Y HN 0.831 nan 8.280 nan 0.000 0.453 635 R N -0.242 120.172 120.500 -0.144 0.000 2.906 635 R HA 0.711 5.054 4.340 0.005 0.000 0.258 635 R C -2.819 173.281 176.300 -0.334 0.000 1.156 635 R CA -1.860 54.046 56.100 -0.323 0.000 0.996 635 R CB 1.105 31.276 30.300 -0.215 0.000 1.259 635 R HN 0.408 nan 8.270 nan 0.000 0.462 636 P HA -0.278 nan 4.420 nan 0.000 0.244 636 P C -0.104 177.084 177.300 -0.187 0.000 0.880 636 P CA 1.440 64.298 63.100 -0.403 0.000 1.097 636 P CB -0.131 31.336 31.700 -0.388 0.000 0.731 637 L N -5.416 115.737 121.223 -0.115 0.000 2.171 637 L HA 0.554 4.897 4.340 0.005 0.000 0.253 637 L C 0.301 177.093 176.870 -0.129 0.000 1.054 637 L CA -1.640 53.088 54.840 -0.188 0.000 0.927 637 L CB -1.127 40.876 42.059 -0.095 0.000 1.513 637 L HN -0.046 nan 8.230 nan 0.000 0.471 638 F N -0.020 119.960 119.950 0.049 0.000 2.399 638 F HA 0.548 5.078 4.527 0.005 0.000 0.313 638 F C 0.559 176.424 175.800 0.109 0.000 1.202 638 F CA -0.092 57.948 58.000 0.066 0.000 1.192 638 F CB 0.696 39.727 39.000 0.052 0.000 1.256 638 F HN 0.204 nan 8.300 nan 0.000 0.558 639 I N 0.485 121.275 120.570 0.368 0.000 2.740 639 I HA 0.332 4.505 4.170 0.005 0.000 0.303 639 I C -0.457 175.778 176.117 0.196 0.000 1.044 639 I CA -0.720 60.753 61.300 0.289 0.000 1.064 639 I CB 2.205 40.339 38.000 0.224 0.000 1.249 639 I HN 0.228 nan 8.210 nan 0.000 0.433 640 V N 2.328 122.339 119.914 0.163 0.000 3.157 640 V HA 0.133 4.256 4.120 0.005 0.000 0.361 640 V C 0.182 176.331 176.094 0.091 0.000 1.421 640 V CA -0.360 62.005 62.300 0.108 0.000 1.213 640 V CB 0.235 32.123 31.823 0.109 0.000 1.164 640 V HN 0.725 nan 8.190 nan 0.000 0.559 641 E N 2.523 122.774 120.200 0.085 0.000 2.485 641 E HA -0.053 4.300 4.350 0.005 0.000 0.266 641 E C 0.382 177.019 176.600 0.061 0.000 1.090 641 E CA 0.527 56.968 56.400 0.067 0.000 0.987 641 E CB 0.488 30.227 29.700 0.064 0.000 0.974 641 E HN 0.556 nan 8.360 nan 0.000 0.455 642 D N 2.540 122.974 120.400 0.056 0.000 2.994 642 D HA 0.010 4.652 4.640 0.005 0.000 0.240 642 D C -0.858 175.464 176.300 0.037 0.000 1.195 642 D CA -0.153 53.880 54.000 0.054 0.000 0.957 642 D CB -0.126 40.710 40.800 0.061 0.000 1.105 642 D HN 0.172 nan 8.370 nan 0.000 0.477 643 D N 1.164 121.582 120.400 0.030 0.000 2.767 643 D HA 0.128 4.771 4.640 0.005 0.000 0.241 643 D C -0.151 176.152 176.300 0.005 0.000 1.187 643 D CA -0.045 53.968 54.000 0.022 0.000 0.999 643 D CB 0.434 41.251 40.800 0.030 0.000 1.042 643 D HN 0.208 nan 8.370 nan 0.000 0.510 644 E N 0.302 120.499 120.200 -0.006 0.000 2.220 644 E HA 0.102 4.455 4.350 0.005 0.000 0.256 644 E C 0.584 177.170 176.600 -0.023 0.000 0.881 644 E CA -0.349 56.032 56.400 -0.031 0.000 0.766 644 E CB 2.020 31.674 29.700 -0.077 0.000 1.187 644 E HN -0.057 nan 8.360 nan 0.000 0.419 645 S N 2.829 118.519 115.700 -0.017 0.000 2.419 645 S HA -0.022 4.451 4.470 0.005 0.000 0.235 645 S C 0.703 175.295 174.600 -0.014 0.000 1.019 645 S CA 0.952 59.146 58.200 -0.009 0.000 0.982 645 S CB 0.140 63.336 63.200 -0.006 0.000 0.789 645 S HN 0.458 nan 8.310 nan 0.000 0.490 646 L N -0.155 121.049 121.223 -0.031 0.000 2.666 646 L HA 0.478 4.821 4.340 0.005 0.000 0.258 646 L C -0.148 176.676 176.870 -0.077 0.000 0.991 646 L CA -0.054 54.766 54.840 -0.034 0.000 0.916 646 L CB 1.611 43.657 42.059 -0.022 0.000 1.199 646 L HN 0.144 nan 8.230 nan 0.000 0.439 647 G N 2.469 111.202 108.800 -0.112 0.000 2.519 647 G HA2 0.022 3.984 3.960 0.005 0.000 0.229 647 G HA3 0.022 3.984 3.960 0.005 0.000 0.229 647 G C 0.170 174.686 174.900 -0.641 0.000 1.333 647 G CA -0.232 44.682 45.100 -0.310 0.000 0.939 647 G HN 0.914 nan 8.290 nan 0.000 0.501 648 H N -1.337 117.741 119.070 0.014 0.000 1.453 648 H HA -0.274 4.285 4.556 0.005 0.000 0.091 648 H C 1.004 176.346 175.328 0.024 0.000 2.703 648 H CA 1.180 57.238 56.048 0.017 0.000 1.900 648 H CB -0.668 29.104 29.762 0.017 0.000 2.256 648 H HN 0.545 nan 8.280 nan 0.000 0.960 649 K N 1.209 121.764 120.400 0.259 0.000 2.251 649 K HA 0.062 4.385 4.320 0.005 0.000 0.247 649 K C 0.371 177.020 176.600 0.081 0.000 1.098 649 K CA 1.250 57.635 56.287 0.163 0.000 0.800 649 K CB -0.038 32.583 32.500 0.200 0.000 1.086 649 K HN 0.695 nan 8.250 nan 0.000 0.520 650 E N -1.295 118.959 120.200 0.090 0.000 3.086 650 E HA 0.039 4.391 4.350 0.005 0.000 0.339 650 E C -1.838 174.779 176.600 0.028 0.000 1.235 650 E CA -0.250 56.174 56.400 0.040 0.000 1.377 650 E CB -0.237 29.436 29.700 -0.045 0.000 1.071 650 E HN 0.298 nan 8.360 nan 0.000 0.405 651 L N 3.869 125.090 121.223 -0.003 0.000 2.514 651 L HA 0.183 4.526 4.340 0.005 0.000 0.280 651 L C 1.845 178.705 176.870 -0.016 0.000 1.223 651 L CA 0.305 55.130 54.840 -0.026 0.000 0.864 651 L CB 0.255 42.240 42.059 -0.124 0.000 1.118 651 L HN 0.630 nan 8.230 nan 0.000 0.494 652 K N 1.692 122.108 120.400 0.027 0.000 1.973 652 K HA -0.010 4.313 4.320 0.005 0.000 0.210 652 K C 0.227 176.847 176.600 0.033 0.000 1.045 652 K CA 0.652 56.969 56.287 0.050 0.000 0.937 652 K CB 0.038 32.597 32.500 0.097 0.000 0.721 652 K HN 0.413 nan 8.250 nan 0.000 0.438 653 V N 3.144 123.100 119.914 0.071 0.000 2.872 653 V HA -0.131 3.992 4.120 0.005 0.000 0.302 653 V C 0.655 176.658 176.094 -0.153 0.000 1.166 653 V CA 0.517 62.867 62.300 0.083 0.000 1.298 653 V CB -0.000 31.888 31.823 0.108 0.000 0.894 653 V HN 0.325 nan 8.190 nan 0.000 0.509 654 R N 2.763 123.032 120.500 -0.385 0.000 3.029 654 R HA 0.431 4.774 4.340 0.005 0.000 0.239 654 R C 1.059 177.226 176.300 -0.222 0.000 1.351 654 R CA -1.081 54.832 56.100 -0.312 0.000 1.052 654 R CB 0.473 30.562 30.300 -0.351 0.000 1.354 654 R HN 0.560 nan 8.270 nan 0.000 0.499 655 K N 0.689 121.003 120.400 -0.143 0.000 2.280 655 K HA -0.082 4.241 4.320 0.005 0.000 0.202 655 K C 1.645 178.205 176.600 -0.065 0.000 1.047 655 K CA 1.523 57.768 56.287 -0.070 0.000 0.942 655 K CB -0.323 32.150 32.500 -0.046 0.000 0.739 655 K HN 0.708 nan 8.250 nan 0.000 0.457 656 G N 0.872 109.590 108.800 -0.136 0.000 2.511 656 G HA2 -0.271 3.691 3.960 0.005 0.000 0.216 656 G HA3 -0.271 3.691 3.960 0.005 0.000 0.216 656 G C 1.129 176.030 174.900 0.001 0.000 1.218 656 G CA 0.948 45.993 45.100 -0.091 0.000 0.788 656 G HN 0.344 nan 8.290 nan 0.000 0.560 657 H N 0.251 119.294 119.070 -0.046 0.000 2.319 657 H HA -0.068 4.491 4.556 0.005 0.000 0.297 657 H C 2.557 177.917 175.328 0.053 0.000 1.097 657 H CA 1.054 57.076 56.048 -0.043 0.000 1.285 657 H CB -0.882 28.946 29.762 0.111 0.000 1.368 657 H HN 0.273 nan 8.280 nan 0.000 0.495 658 I N 0.947 121.634 120.570 0.196 0.000 2.145 658 I HA -0.316 3.857 4.170 0.005 0.000 0.244 658 I C 2.521 178.728 176.117 0.150 0.000 1.075 658 I CA 1.502 62.910 61.300 0.181 0.000 1.332 658 I CB -0.746 37.327 38.000 0.122 0.000 1.033 658 I HN 0.279 nan 8.210 nan 0.000 0.410 659 A N -0.348 122.525 122.820 0.088 0.000 1.858 659 A HA -0.277 4.046 4.320 0.005 0.000 0.216 659 A C 2.340 179.970 177.584 0.077 0.000 1.190 659 A CA 2.040 54.117 52.037 0.066 0.000 0.617 659 A CB -0.710 18.305 19.000 0.026 0.000 0.827 659 A HN 0.417 nan 8.150 nan 0.000 0.443 660 K N -0.557 119.857 120.400 0.024 0.000 2.286 660 K HA -0.062 4.260 4.320 0.005 0.000 0.203 660 K C 1.560 178.262 176.600 0.170 0.000 1.045 660 K CA 1.097 57.377 56.287 -0.010 0.000 0.935 660 K CB -0.347 31.958 32.500 -0.325 0.000 0.737 660 K HN 0.474 nan 8.250 nan 0.000 0.460 661 L N -0.152 121.231 121.223 0.267 0.000 2.395 661 L HA -0.012 4.331 4.340 0.005 0.000 0.218 661 L C 1.871 178.895 176.870 0.257 0.000 1.130 661 L CA 0.675 55.727 54.840 0.354 0.000 0.826 661 L CB 0.075 42.354 42.059 0.367 0.000 0.941 661 L HN 0.228 nan 8.230 nan 0.000 0.451 662 M N -2.151 117.574 119.600 0.208 0.000 2.308 662 M HA 0.166 4.648 4.480 0.005 0.000 0.269 662 M C 2.103 178.526 176.300 0.205 0.000 1.040 662 M CA 0.137 55.552 55.300 0.192 0.000 1.024 662 M CB 0.314 33.010 32.600 0.160 0.000 1.465 662 M HN 0.157 nan 8.290 nan 0.000 0.517 663 A N 0.842 123.777 122.820 0.192 0.000 1.940 663 A HA -0.150 4.173 4.320 0.005 0.000 0.219 663 A C 2.120 179.834 177.584 0.217 0.000 1.176 663 A CA 2.426 54.596 52.037 0.222 0.000 0.631 663 A CB -0.994 18.105 19.000 0.165 0.000 0.814 663 A HN 0.441 nan 8.150 nan 0.000 0.446 664 T N -0.320 114.348 114.554 0.190 0.000 2.777 664 T HA -0.103 4.250 4.350 0.005 0.000 0.266 664 T C 1.774 176.560 174.700 0.143 0.000 1.040 664 T CA 1.299 63.492 62.100 0.154 0.000 1.141 664 T CB -0.236 68.728 68.868 0.161 0.000 0.868 664 T HN 0.584 nan 8.240 nan 0.000 0.444 665 E N 0.536 120.842 120.200 0.176 0.000 2.023 665 E HA -0.165 4.188 4.350 0.005 0.000 0.196 665 E C 2.018 178.719 176.600 0.169 0.000 1.003 665 E CA 1.401 57.901 56.400 0.167 0.000 0.809 665 E CB -0.350 29.460 29.700 0.184 0.000 0.755 665 E HN 0.642 nan 8.360 nan 0.000 0.449 666 Y N 1.469 121.811 120.300 0.070 0.000 2.384 666 Y HA -0.170 4.382 4.550 0.005 0.000 0.289 666 Y C 1.235 177.163 175.900 0.047 0.000 1.152 666 Y CA 1.189 59.322 58.100 0.054 0.000 1.258 666 Y CB 0.023 38.514 38.460 0.052 0.000 0.979 666 Y HN -0.074 nan 8.280 nan 0.000 0.549 667 Q N 1.898 121.629 119.800 -0.114 0.000 2.916 667 Q HA 0.268 4.611 4.340 0.005 0.000 0.314 667 Q C -1.524 174.437 176.000 -0.065 0.000 1.194 667 Q CA -0.240 55.448 55.803 -0.190 0.000 1.079 667 Q CB 0.086 28.740 28.738 -0.139 0.000 1.322 667 Q HN 0.498 nan 8.270 nan 0.000 0.500 679 Y N 3.892 124.227 120.300 0.057 0.000 2.535 679 Y HA 0.382 4.935 4.550 0.005 0.000 0.349 679 Y C 0.158 176.109 175.900 0.085 0.000 0.992 679 Y CA 0.387 58.520 58.100 0.054 0.000 1.248 679 Y CB 0.728 39.221 38.460 0.055 0.000 1.124 679 Y HN 0.187 nan 8.280 nan 0.000 0.520 680 T N 2.172 116.602 114.554 -0.206 0.000 2.937 680 T HA 0.068 4.421 4.350 0.005 0.000 0.283 680 T C 1.023 175.675 174.700 -0.081 0.000 1.012 680 T CA -0.739 61.328 62.100 -0.056 0.000 0.997 680 T CB 0.617 69.488 68.868 0.005 0.000 1.136 680 T HN 0.861 nan 8.240 nan 0.000 0.551 681 W N 0.974 122.223 121.300 -0.084 0.000 2.301 681 W HA -0.248 4.415 4.660 0.005 0.000 0.325 681 W C 2.071 178.545 176.519 -0.076 0.000 1.250 681 W CA 2.036 59.360 57.345 -0.036 0.000 1.261 681 W CB -0.834 28.644 29.460 0.030 0.000 1.157 681 W HN 0.679 nan 8.180 nan 0.000 0.473 682 S N 0.357 116.031 115.700 -0.043 0.000 2.420 682 S HA -0.243 4.230 4.470 0.005 0.000 0.237 682 S C 1.984 176.406 174.600 -0.297 0.000 1.023 682 S CA 2.014 60.094 58.200 -0.199 0.000 0.991 682 S CB -0.496 62.674 63.200 -0.050 0.000 0.792 682 S HN 0.506 nan 8.310 nan 0.000 0.488 683 S N 1.079 116.583 115.700 -0.326 0.000 2.414 683 S HA 0.108 4.581 4.470 0.005 0.000 0.227 683 S C 1.766 176.069 174.600 -0.495 0.000 1.022 683 S CA 0.425 58.378 58.200 -0.411 0.000 0.958 683 S CB -0.503 62.387 63.200 -0.516 0.000 0.797 683 S HN 0.458 nan 8.310 nan 0.000 0.493 684 L N 0.206 121.095 121.223 -0.556 0.000 2.083 684 L HA -0.011 4.332 4.340 0.005 0.000 0.209 684 L C 2.596 179.221 176.870 -0.409 0.000 1.083 684 L CA 1.008 55.594 54.840 -0.424 0.000 0.752 684 L CB -0.531 41.270 42.059 -0.431 0.000 0.899 684 L HN 0.338 nan 8.230 nan 0.000 0.433 685 L N -0.165 120.732 121.223 -0.543 0.000 2.156 685 L HA -0.096 4.247 4.340 0.005 0.000 0.208 685 L C 2.098 178.780 176.870 -0.313 0.000 1.095 685 L CA 1.613 56.160 54.840 -0.489 0.000 0.770 685 L CB -0.590 41.112 42.059 -0.595 0.000 0.914 685 L HN 0.243 nan 8.230 nan 0.000 0.439 686 N N -0.353 118.188 118.700 -0.265 0.000 2.368 686 N HA -0.071 4.672 4.740 0.005 0.000 0.176 686 N C 1.260 176.688 175.510 -0.137 0.000 1.021 686 N CA 0.758 53.698 53.050 -0.184 0.000 0.888 686 N CB 0.009 38.402 38.487 -0.157 0.000 0.995 686 N HN 0.495 nan 8.380 nan 0.000 0.437 687 E N 0.405 120.523 120.200 -0.136 0.000 2.494 687 E HA 0.131 4.484 4.350 0.005 0.000 0.193 687 E C 0.097 176.660 176.600 -0.062 0.000 1.074 687 E CA -0.244 56.107 56.400 -0.082 0.000 0.867 687 E CB -0.062 29.596 29.700 -0.071 0.000 0.924 687 E HN 0.275 nan 8.360 nan 0.000 0.502 688 G N 1.512 110.258 108.800 -0.089 0.000 2.374 688 G HA2 -0.254 3.709 3.960 0.005 0.000 0.289 688 G HA3 -0.254 3.709 3.960 0.005 0.000 0.289 688 G C 0.313 175.212 174.900 -0.003 0.000 1.004 688 G CA 0.157 45.224 45.100 -0.056 0.000 1.292 688 G HN 0.309 nan 8.290 nan 0.000 0.502 689 L N -1.121 120.095 121.223 -0.013 0.000 2.840 689 L HA 0.337 4.680 4.340 0.005 0.000 0.249 689 L C 0.610 177.549 176.870 0.115 0.000 1.119 689 L CA 0.055 54.947 54.840 0.086 0.000 0.930 689 L CB 0.788 42.924 42.059 0.129 0.000 1.295 689 L HN 0.238 nan 8.230 nan 0.000 0.534 690 V N -0.059 119.843 119.914 -0.021 0.000 2.709 690 V HA 0.372 4.495 4.120 0.005 0.000 0.308 690 V C -0.673 175.412 176.094 -0.016 0.000 1.062 690 V CA -0.690 61.590 62.300 -0.032 0.000 0.901 690 V CB 2.633 34.308 31.823 -0.248 0.000 1.003 690 V HN 0.047 nan 8.190 nan 0.000 0.425 691 E N 1.911 122.136 120.200 0.042 0.000 2.244 691 E HA 0.505 4.858 4.350 0.005 0.000 0.266 691 E C -1.589 175.165 176.600 0.258 0.000 0.914 691 E CA -0.726 55.713 56.400 0.065 0.000 0.794 691 E CB 2.389 32.064 29.700 -0.042 0.000 1.210 691 E HN 0.650 nan 8.360 nan 0.000 0.414 692 Y N 2.244 122.540 120.300 -0.008 0.000 2.313 692 Y HA 0.326 4.879 4.550 0.005 0.000 0.332 692 Y C 0.195 176.114 175.900 0.031 0.000 1.071 692 Y CA -0.795 57.368 58.100 0.106 0.000 1.169 692 Y CB 0.908 39.459 38.460 0.151 0.000 1.192 692 Y HN 0.168 nan 8.280 nan 0.000 0.487 693 I N 4.409 125.096 120.570 0.195 0.000 2.533 693 I HA 0.134 4.307 4.170 0.005 0.000 0.290 693 I C -0.613 175.607 176.117 0.172 0.000 1.056 693 I CA -0.656 60.707 61.300 0.105 0.000 1.057 693 I CB 1.872 39.884 38.000 0.020 0.000 1.240 693 I HN 0.695 nan 8.210 nan 0.000 0.423 694 D N 5.103 125.586 120.400 0.139 0.000 2.385 694 D HA 0.374 5.017 4.640 0.005 0.000 0.254 694 D C 0.656 177.039 176.300 0.139 0.000 1.053 694 D CA -0.463 53.629 54.000 0.152 0.000 0.992 694 D CB 2.391 43.245 40.800 0.089 0.000 1.145 694 D HN 0.507 nan 8.370 nan 0.000 0.523 695 A N 0.783 123.701 122.820 0.163 0.000 2.070 695 A HA -0.192 4.131 4.320 0.005 0.000 0.220 695 A C 1.902 179.626 177.584 0.233 0.000 1.159 695 A CA 1.817 53.993 52.037 0.231 0.000 0.656 695 A CB -0.649 18.543 19.000 0.320 0.000 0.800 695 A HN 0.683 nan 8.150 nan 0.000 0.453 696 E N 0.355 120.617 120.200 0.104 0.000 2.028 696 E HA -0.190 4.163 4.350 0.005 0.000 0.191 696 E C 1.942 178.597 176.600 0.091 0.000 0.988 696 E CA 1.708 58.130 56.400 0.036 0.000 0.799 696 E CB -0.311 29.359 29.700 -0.050 0.000 0.755 696 E HN 0.701 nan 8.360 nan 0.000 0.447 697 E N 0.316 120.578 120.200 0.103 0.000 2.077 697 E HA -0.251 4.102 4.350 0.005 0.000 0.193 697 E C 2.018 178.700 176.600 0.137 0.000 0.989 697 E CA 1.303 57.771 56.400 0.114 0.000 0.800 697 E CB -0.183 29.578 29.700 0.102 0.000 0.746 697 E HN 0.363 nan 8.360 nan 0.000 0.452 698 E N 0.218 120.509 120.200 0.151 0.000 2.136 698 E HA -0.290 4.063 4.350 0.005 0.000 0.202 698 E C 1.913 178.607 176.600 0.157 0.000 1.019 698 E CA 1.494 57.995 56.400 0.168 0.000 0.819 698 E CB 0.003 29.813 29.700 0.183 0.000 0.739 698 E HN 0.267 nan 8.360 nan 0.000 0.458 699 E N -0.217 120.079 120.200 0.160 0.000 2.208 699 E HA -0.195 4.158 4.350 0.005 0.000 0.202 699 E C 1.772 178.437 176.600 0.108 0.000 1.014 699 E CA 1.560 58.045 56.400 0.142 0.000 0.819 699 E CB -0.175 29.607 29.700 0.137 0.000 0.735 699 E HN 0.302 nan 8.360 nan 0.000 0.469 700 S N -0.289 115.477 115.700 0.110 0.000 2.602 700 S HA 0.192 4.665 4.470 0.005 0.000 0.240 700 S C 0.691 175.351 174.600 0.099 0.000 0.992 700 S CA -0.681 57.574 58.200 0.092 0.000 0.971 700 S CB -0.105 63.146 63.200 0.085 0.000 0.855 700 S HN 0.215 nan 8.310 nan 0.000 0.481 701 I N -1.071 119.573 120.570 0.122 0.000 3.170 701 I HA 0.777 4.950 4.170 0.005 0.000 0.312 701 I C -1.801 174.371 176.117 0.091 0.000 1.085 701 I CA -1.583 59.788 61.300 0.119 0.000 0.999 701 I CB 1.909 40.078 38.000 0.282 0.000 1.233 701 I HN 0.188 nan 8.210 nan 0.000 0.467 702 L N 3.709 124.975 121.223 0.071 0.000 2.376 702 L HA 0.615 4.958 4.340 0.005 0.000 0.275 702 L C -1.105 175.919 176.870 0.255 0.000 0.987 702 L CA -0.238 54.687 54.840 0.141 0.000 0.828 702 L CB 1.289 43.407 42.059 0.097 0.000 1.249 702 L HN 0.550 nan 8.230 nan 0.000 0.409 703 I N 3.698 124.419 120.570 0.251 0.000 2.607 703 I HA 0.792 4.965 4.170 0.005 0.000 0.305 703 I C 0.119 176.217 176.117 -0.032 0.000 0.995 703 I CA -0.729 60.659 61.300 0.147 0.000 1.148 703 I CB 1.948 40.022 38.000 0.124 0.000 1.323 703 I HN 0.730 nan 8.210 nan 0.000 0.461 704 A N 4.056 126.561 122.820 -0.526 0.000 2.320 704 A HA 0.641 4.964 4.320 0.005 0.000 0.334 704 A C 0.239 177.650 177.584 -0.288 0.000 1.147 704 A CA -0.550 50.997 52.037 -0.816 0.000 0.820 704 A CB 1.442 19.483 19.000 -1.598 0.000 1.218 704 A HN 0.787 nan 8.150 nan 0.000 0.482 705 M N 0.393 119.880 119.600 -0.190 0.000 2.121 705 M HA 0.094 4.577 4.480 0.005 0.000 0.250 705 M C 0.932 177.183 176.300 -0.081 0.000 1.120 705 M CA 1.582 56.826 55.300 -0.093 0.000 1.141 705 M CB -0.317 32.230 32.600 -0.089 0.000 1.254 705 M HN 0.759 nan 8.290 nan 0.000 0.433 706 Q N 1.262 121.011 119.800 -0.084 0.000 2.296 706 Q HA 0.097 4.439 4.340 0.005 0.000 0.262 706 Q C -1.759 174.193 176.000 -0.079 0.000 0.981 706 Q CA -1.455 54.319 55.803 -0.048 0.000 0.905 706 Q CB 0.838 29.558 28.738 -0.029 0.000 1.186 706 Q HN 0.233 nan 8.270 nan 0.000 0.399 707 P HA -0.230 nan 4.420 nan 0.000 0.217 707 P C 0.347 177.615 177.300 -0.054 0.000 1.151 707 P CA 1.324 64.371 63.100 -0.089 0.000 0.828 707 P CB 0.288 31.919 31.700 -0.116 0.000 0.788 708 E N 0.792 120.979 120.200 -0.022 0.000 2.086 708 E HA -0.162 4.191 4.350 0.005 0.000 0.223 708 E C 1.542 178.154 176.600 0.021 0.000 0.881 708 E CA 0.679 57.082 56.400 0.006 0.000 1.137 708 E CB -1.406 28.308 29.700 0.023 0.000 0.985 708 E HN -0.126 nan 8.360 nan 0.000 0.559 709 D N 0.446 120.858 120.400 0.020 0.000 2.315 709 D HA -0.186 4.456 4.640 0.005 0.000 0.198 709 D C 1.590 177.867 176.300 -0.038 0.000 1.010 709 D CA 1.127 55.136 54.000 0.015 0.000 0.911 709 D CB -0.202 40.590 40.800 -0.014 0.000 0.897 709 D HN 0.230 nan 8.370 nan 0.000 0.455 710 L N -0.058 121.131 121.223 -0.057 0.000 2.645 710 L HA 0.096 4.438 4.340 0.005 0.000 0.234 710 L C 0.126 177.082 176.870 0.143 0.000 1.165 710 L CA 0.355 55.156 54.840 -0.066 0.000 0.944 710 L CB -0.285 41.717 42.059 -0.095 0.000 1.149 710 L HN 0.182 nan 8.230 nan 0.000 0.446 711 E N -2.455 117.860 120.200 0.192 0.000 3.180 711 E HA 0.119 4.472 4.350 0.005 0.000 0.144 711 E C -2.693 174.041 176.600 0.223 0.000 0.960 711 E CA -0.619 55.934 56.400 0.256 0.000 1.536 711 E CB -0.573 29.288 29.700 0.268 0.000 1.022 711 E HN 0.087 nan 8.360 nan 0.000 0.350 712 P HA 0.525 nan 4.420 nan 0.000 0.346 712 P C 0.159 177.538 177.300 0.132 0.000 1.306 712 P CA -0.329 62.878 63.100 0.178 0.000 0.778 712 P CB 0.220 31.993 31.700 0.122 0.000 1.710 713 A N -0.570 122.309 122.820 0.097 0.000 2.364 713 A HA 0.197 4.519 4.320 0.005 0.000 0.258 713 A C 0.301 177.854 177.584 -0.052 0.000 1.131 713 A CA 0.249 52.296 52.037 0.018 0.000 0.800 713 A CB -0.548 18.473 19.000 0.035 0.000 1.086 713 A HN 0.446 nan 8.150 nan 0.000 0.508 714 E N -0.150 119.987 120.200 -0.105 0.000 2.593 714 E HA 0.479 4.832 4.350 0.005 0.000 0.232 714 E C -0.131 176.415 176.600 -0.090 0.000 1.026 714 E CA -0.185 56.116 56.400 -0.166 0.000 0.772 714 E CB 1.082 30.622 29.700 -0.268 0.000 1.310 714 E HN 0.763 nan 8.360 nan 0.000 0.413 723 V N 0.823 120.752 119.914 0.026 0.000 2.398 723 V HA 0.557 4.680 4.120 0.005 0.000 0.286 723 V C -0.204 175.907 176.094 0.029 0.000 1.026 723 V CA -0.852 61.465 62.300 0.029 0.000 0.868 723 V CB 1.705 33.546 31.823 0.030 0.000 0.982 723 V HN 0.146 nan 8.190 nan 0.000 0.443 724 D N 6.529 126.948 120.400 0.032 0.000 2.402 724 D HA 0.134 4.777 4.640 0.005 0.000 0.268 724 D C -1.511 174.808 176.300 0.032 0.000 1.294 724 D CA -1.218 52.801 54.000 0.032 0.000 0.945 724 D CB 1.719 42.541 40.800 0.037 0.000 1.112 724 D HN 0.505 nan 8.370 nan 0.000 0.517 725 P HA 0.055 nan 4.420 nan 0.000 0.242 725 P C 0.430 177.747 177.300 0.029 0.000 1.197 725 P CA 0.298 63.414 63.100 0.026 0.000 0.765 725 P CB 0.419 32.132 31.700 0.023 0.000 0.936 726 A N -0.447 122.393 122.820 0.032 0.000 1.956 726 A HA 0.045 4.367 4.320 0.005 0.000 0.212 726 A C 1.033 178.643 177.584 0.044 0.000 1.188 726 A CA 0.292 52.350 52.037 0.035 0.000 0.675 726 A CB -0.361 18.658 19.000 0.033 0.000 0.845 726 A HN 0.091 nan 8.150 nan 0.000 0.455 727 K N 1.878 122.306 120.400 0.047 0.000 2.485 727 K HA 0.125 4.448 4.320 0.005 0.000 0.277 727 K C 0.162 176.791 176.600 0.048 0.000 0.990 727 K CA -0.182 56.139 56.287 0.056 0.000 0.994 727 K CB 0.480 33.013 32.500 0.055 0.000 0.906 727 K HN 0.594 nan 8.250 nan 0.000 0.488 728 R N 1.544 122.075 120.500 0.051 0.000 2.980 728 R HA 0.097 4.439 4.340 0.005 0.000 0.285 728 R C 0.107 176.425 176.300 0.029 0.000 1.072 728 R CA -0.258 55.862 56.100 0.033 0.000 1.203 728 R CB 0.049 30.361 30.300 0.021 0.000 1.163 728 R HN 0.375 nan 8.270 nan 0.000 0.545 729 I N 1.176 121.758 120.570 0.020 0.000 2.371 729 I HA 0.275 4.448 4.170 0.005 0.000 0.282 729 I C 0.152 176.276 176.117 0.012 0.000 1.031 729 I CA -0.613 60.698 61.300 0.018 0.000 1.180 729 I CB 0.772 38.782 38.000 0.017 0.000 1.336 729 I HN 0.584 nan 8.210 nan 0.000 0.467 730 R N 4.202 124.707 120.500 0.008 0.000 2.265 730 R HA 0.395 4.738 4.340 0.005 0.000 0.314 730 R C 0.912 177.205 176.300 -0.013 0.000 1.053 730 R CA -0.342 55.754 56.100 -0.007 0.000 0.931 730 R CB 1.396 31.687 30.300 -0.015 0.000 1.024 730 R HN 0.445 nan 8.270 nan 0.000 0.457 731 V N 2.012 121.918 119.914 -0.013 0.000 2.266 731 V HA -0.225 3.898 4.120 0.005 0.000 0.234 731 V C 0.629 176.718 176.094 -0.008 0.000 1.008 731 V CA 1.468 63.772 62.300 0.006 0.000 0.999 731 V CB -0.568 31.266 31.823 0.019 0.000 0.650 731 V HN 0.817 nan 8.190 nan 0.000 0.477 732 S N -2.867 112.810 115.700 -0.040 0.000 2.724 732 S HA 0.457 4.930 4.470 0.005 0.000 0.278 732 S C 0.022 174.543 174.600 -0.131 0.000 1.190 732 S CA -0.394 57.739 58.200 -0.112 0.000 0.860 732 S CB 1.156 64.158 63.200 -0.330 0.000 1.206 732 S HN 0.580 nan 8.310 nan 0.000 0.507 733 H N 0.002 118.966 119.070 -0.178 0.000 2.592 733 H HA 0.280 4.839 4.556 0.005 0.000 0.265 733 H C 0.535 175.832 175.328 -0.052 0.000 0.955 733 H CA 0.203 56.223 56.048 -0.047 0.000 1.175 733 H CB -0.200 29.528 29.762 -0.057 0.000 1.433 733 H HN 0.463 nan 8.280 nan 0.000 0.537 734 H N 0.739 119.866 119.070 0.094 0.000 4.065 734 H HA 0.037 4.596 4.556 0.005 0.000 0.246 734 H C 0.278 175.545 175.328 -0.103 0.000 0.891 734 H CA 0.941 56.985 56.048 -0.006 0.000 1.277 734 H CB -1.088 28.669 29.762 -0.007 0.000 1.352 734 H HN 0.492 nan 8.280 nan 0.000 0.823 735 A N -1.326 121.426 122.820 -0.112 0.000 2.602 735 A HA 0.586 4.909 4.320 0.005 0.000 0.290 735 A C 0.479 177.818 177.584 -0.408 0.000 1.114 735 A CA -0.346 51.495 52.037 -0.327 0.000 0.683 735 A CB 1.368 20.026 19.000 -0.570 0.000 1.281 735 A HN 0.129 nan 8.150 nan 0.000 0.416 736 T N 0.298 114.623 114.554 -0.382 0.000 3.594 736 T HA 0.177 4.529 4.350 0.005 0.000 0.315 736 T C 0.387 174.981 174.700 -0.178 0.000 0.912 736 T CA 0.745 62.708 62.100 -0.228 0.000 0.985 736 T CB -0.034 68.755 68.868 -0.131 0.000 1.201 736 T HN 0.801 nan 8.240 nan 0.000 0.569 737 T N -0.399 114.001 114.554 -0.256 0.000 2.986 737 T HA 0.346 4.699 4.350 0.005 0.000 0.264 737 T C 0.627 175.310 174.700 -0.028 0.000 0.964 737 T CA -0.462 61.568 62.100 -0.117 0.000 0.895 737 T CB -0.225 68.583 68.868 -0.101 0.000 1.163 737 T HN 0.373 nan 8.240 nan 0.000 0.517 738 F N 4.120 124.060 119.950 -0.017 0.000 2.084 738 F HA -0.197 4.333 4.527 0.005 0.000 0.439 738 F C 2.214 177.967 175.800 -0.079 0.000 0.889 738 F CA 0.292 58.273 58.000 -0.031 0.000 0.986 738 F CB -0.034 38.971 39.000 0.008 0.000 0.778 738 F HN 0.285 nan 8.300 nan 0.000 0.497 739 T N 0.400 114.953 114.554 -0.001 0.000 2.814 739 T HA -0.013 4.340 4.350 0.005 0.000 0.254 739 T C 0.164 174.674 174.700 -0.316 0.000 1.037 739 T CA 0.808 62.724 62.100 -0.308 0.000 1.143 739 T CB -0.098 68.305 68.868 -0.774 0.000 0.866 739 T HN 0.595 nan 8.240 nan 0.000 0.431 740 H N -0.968 118.189 119.070 0.146 0.000 2.717 740 H HA 0.670 5.229 4.556 0.005 0.000 0.366 740 H C -0.811 174.547 175.328 0.051 0.000 1.132 740 H CA -1.198 54.919 56.048 0.115 0.000 1.180 740 H CB 1.303 31.134 29.762 0.115 0.000 1.678 740 H HN 0.334 nan 8.280 nan 0.000 0.537 741 C N 1.887 121.293 119.300 0.175 0.000 2.347 741 C HA 0.388 4.851 4.460 0.005 0.000 0.366 741 C C 0.506 175.605 174.990 0.182 0.000 1.241 741 C CA -0.077 58.979 59.018 0.064 0.000 2.360 741 C CB 0.510 28.266 27.740 0.027 0.000 2.290 741 C HN 0.930 nan 8.230 nan 0.000 0.587 742 E N 0.937 121.208 120.200 0.118 0.000 2.283 742 E HA 0.332 4.685 4.350 0.005 0.000 0.271 742 E C 0.877 177.554 176.600 0.128 0.000 1.031 742 E CA -0.322 56.136 56.400 0.096 0.000 0.868 742 E CB 0.668 30.414 29.700 0.077 0.000 1.094 742 E HN 0.492 nan 8.360 nan 0.000 0.401 743 I N 1.553 122.065 120.570 -0.098 0.000 2.233 743 I HA -0.045 4.127 4.170 0.005 0.000 0.243 743 I C 0.392 176.494 176.117 -0.024 0.000 1.093 743 I CA 1.251 62.406 61.300 -0.243 0.000 1.380 743 I CB -0.678 36.998 38.000 -0.540 0.000 1.067 743 I HN 0.550 nan 8.210 nan 0.000 0.413 744 H N -0.960 117.971 119.070 -0.232 0.000 3.153 744 H HA 0.215 4.774 4.556 0.005 0.000 0.323 744 H C -2.291 172.953 175.328 -0.139 0.000 1.096 744 H CA -0.823 55.086 56.048 -0.232 0.000 1.385 744 H CB 1.676 31.106 29.762 -0.554 0.000 2.027 744 H HN -0.275 nan 8.280 nan 0.000 0.499 745 P HA -0.104 nan 4.420 nan 0.000 0.217 745 P C 1.246 178.501 177.300 -0.074 0.000 1.151 745 P CA 1.712 64.681 63.100 -0.218 0.000 0.828 745 P CB 0.196 31.696 31.700 -0.333 0.000 0.788 746 S N -1.009 114.769 115.700 0.130 0.000 2.484 746 S HA -0.180 4.292 4.470 0.005 0.000 0.250 746 S C 1.670 176.342 174.600 0.120 0.000 0.995 746 S CA 1.137 59.499 58.200 0.269 0.000 0.967 746 S CB -1.174 62.263 63.200 0.395 0.000 0.752 746 S HN 0.016 nan 8.310 nan 0.000 0.517 747 M N 1.498 121.096 119.600 -0.002 0.000 2.619 747 M HA 0.231 4.714 4.480 0.005 0.000 0.251 747 M C 1.860 178.035 176.300 -0.208 0.000 1.106 747 M CA 0.354 55.603 55.300 -0.085 0.000 1.086 747 M CB -1.267 31.231 32.600 -0.170 0.000 1.465 747 M HN 0.605 nan 8.290 nan 0.000 0.506 748 I N -2.173 118.205 120.570 -0.319 0.000 2.916 748 I HA -0.071 4.102 4.170 0.005 0.000 0.267 748 I C 0.875 176.839 176.117 -0.256 0.000 1.263 748 I CA 0.433 61.453 61.300 -0.466 0.000 1.471 748 I CB -0.463 37.069 38.000 -0.781 0.000 1.089 748 I HN -0.011 nan 8.210 nan 0.000 0.468 749 L N 1.227 122.370 121.223 -0.133 0.000 2.468 749 L HA 0.618 4.961 4.340 0.005 0.000 0.254 749 L C 0.680 177.510 176.870 -0.067 0.000 1.171 749 L CA -0.346 54.447 54.840 -0.079 0.000 0.809 749 L CB 0.733 42.773 42.059 -0.032 0.000 1.155 749 L HN 0.208 nan 8.230 nan 0.000 0.473 750 G N -0.785 107.979 108.800 -0.060 0.000 2.524 750 G HA2 0.441 4.404 3.960 0.005 0.000 0.310 750 G HA3 0.441 4.404 3.960 0.005 0.000 0.310 750 G C 0.553 175.433 174.900 -0.034 0.000 1.279 750 G CA -0.541 44.532 45.100 -0.044 0.000 0.974 750 G HN 0.460 nan 8.290 nan 0.000 0.484 751 V N 1.359 121.264 119.914 -0.015 0.000 2.408 751 V HA -0.466 3.657 4.120 0.005 0.000 0.236 751 V C 3.103 179.170 176.094 -0.045 0.000 1.064 751 V CA 3.832 66.122 62.300 -0.017 0.000 1.095 751 V CB -1.035 30.782 31.823 -0.009 0.000 0.921 751 V HN 1.062 nan 8.190 nan 0.000 0.474 752 A N -1.617 121.173 122.820 -0.049 0.000 1.929 752 A HA 0.162 4.485 4.320 0.005 0.000 0.216 752 A C 2.189 179.717 177.584 -0.092 0.000 1.176 752 A CA 2.031 54.030 52.037 -0.063 0.000 0.628 752 A CB -0.569 18.403 19.000 -0.047 0.000 0.816 752 A HN 0.950 nan 8.150 nan 0.000 0.444 753 A N -0.844 121.927 122.820 -0.082 0.000 2.067 753 A HA 0.094 4.417 4.320 0.005 0.000 0.217 753 A C 2.192 179.713 177.584 -0.106 0.000 1.156 753 A CA 1.409 53.394 52.037 -0.087 0.000 0.683 753 A CB -0.537 18.423 19.000 -0.066 0.000 0.808 753 A HN 0.375 nan 8.150 nan 0.000 0.455 754 S N 0.103 115.744 115.700 -0.099 0.000 2.500 754 S HA -0.046 4.426 4.470 0.005 0.000 0.239 754 S C 1.544 176.028 174.600 -0.193 0.000 0.989 754 S CA 0.619 58.759 58.200 -0.099 0.000 0.951 754 S CB -0.261 62.912 63.200 -0.046 0.000 0.759 754 S HN 0.466 nan 8.310 nan 0.000 0.523 755 I N 1.415 121.831 120.570 -0.257 0.000 2.676 755 I HA 0.073 4.246 4.170 0.005 0.000 0.259 755 I C 0.673 176.580 176.117 -0.350 0.000 1.194 755 I CA 0.571 61.619 61.300 -0.420 0.000 1.473 755 I CB -0.737 36.976 38.000 -0.478 0.000 1.096 755 I HN 0.217 nan 8.210 nan 0.000 0.443 756 I N 4.318 124.742 120.570 -0.243 0.000 2.436 756 I HA 0.072 4.245 4.170 0.005 0.000 0.289 756 I C -1.949 174.059 176.117 -0.181 0.000 1.083 756 I CA -1.430 59.748 61.300 -0.203 0.000 1.372 756 I CB 0.444 38.376 38.000 -0.113 0.000 1.408 756 I HN -0.070 nan 8.210 nan 0.000 0.516 757 P HA 0.113 nan 4.420 nan 0.000 0.281 757 P C -0.406 176.805 177.300 -0.148 0.000 1.252 757 P CA -0.173 62.729 63.100 -0.330 0.000 0.778 757 P CB 0.298 31.802 31.700 -0.326 0.000 0.895 758 F N 2.149 122.116 119.950 0.029 0.000 2.773 758 F HA -0.168 4.362 4.527 0.005 0.000 0.251 758 F C -1.136 174.713 175.800 0.082 0.000 1.020 758 F CA -0.525 57.520 58.000 0.075 0.000 0.924 758 F CB -1.773 37.271 39.000 0.073 0.000 0.919 758 F HN 0.341 nan 8.300 nan 0.000 0.846 759 P HA -0.137 nan 4.420 nan 0.000 0.222 759 P C 1.333 178.684 177.300 0.084 0.000 1.153 759 P CA 1.786 64.943 63.100 0.094 0.000 0.798 759 P CB 0.081 31.782 31.700 0.001 0.000 0.796 760 D N -1.165 119.239 120.400 0.008 0.000 2.309 760 D HA -0.203 4.439 4.640 0.005 0.000 0.212 760 D C 1.114 177.393 176.300 -0.035 0.000 0.968 760 D CA 1.111 55.097 54.000 -0.023 0.000 0.882 760 D CB -1.430 39.263 40.800 -0.179 0.000 0.918 760 D HN 0.315 nan 8.370 nan 0.000 0.503 761 H N -0.305 118.814 119.070 0.081 0.000 2.507 761 H HA 0.331 4.890 4.556 0.005 0.000 0.294 761 H C -0.316 175.034 175.328 0.036 0.000 1.064 761 H CA -0.250 55.820 56.048 0.037 0.000 1.138 761 H CB -0.044 29.700 29.762 -0.029 0.000 1.515 761 H HN 0.222 nan 8.280 nan 0.000 0.547 762 N N 0.945 119.726 118.700 0.136 0.000 2.260 762 N HA 0.041 4.784 4.740 0.005 0.000 0.293 762 N C -0.832 174.730 175.510 0.086 0.000 1.058 762 N CA -0.483 52.633 53.050 0.111 0.000 0.824 762 N CB 2.466 41.044 38.487 0.151 0.000 1.551 762 N HN 0.137 nan 8.380 nan 0.000 0.475 763 Q N 1.516 121.360 119.800 0.073 0.000 2.364 763 Q HA 0.078 4.420 4.340 0.005 0.000 0.267 763 Q C 0.261 176.305 176.000 0.073 0.000 0.999 763 Q CA 0.312 56.154 55.803 0.065 0.000 0.886 763 Q CB 1.072 29.845 28.738 0.057 0.000 1.243 763 Q HN 0.662 nan 8.270 nan 0.000 0.415 764 S N 3.961 119.694 115.700 0.055 0.000 2.345 764 S HA -0.053 4.420 4.470 0.005 0.000 0.220 764 S C -1.177 173.431 174.600 0.013 0.000 1.031 764 S CA 1.259 59.481 58.200 0.037 0.000 0.996 764 S CB -0.525 62.690 63.200 0.025 0.000 0.882 764 S HN 0.699 nan 8.310 nan 0.000 0.445 765 P HA -0.032 nan 4.420 nan 0.000 0.228 765 P C 0.994 178.245 177.300 -0.081 0.000 1.151 765 P CA 0.701 63.752 63.100 -0.080 0.000 0.770 765 P CB -0.028 31.660 31.700 -0.019 0.000 0.786 766 R N 0.138 120.736 120.500 0.163 0.000 2.092 766 R HA -0.003 4.339 4.340 0.005 0.000 0.231 766 R C 1.895 178.307 176.300 0.187 0.000 1.119 766 R CA 0.759 57.056 56.100 0.329 0.000 0.970 766 R CB -1.353 29.090 30.300 0.237 0.000 0.864 766 R HN 0.241 nan 8.270 nan 0.000 0.440 767 N N 0.044 118.790 118.700 0.077 0.000 2.166 767 N HA -0.102 4.641 4.740 0.005 0.000 0.186 767 N C 1.523 177.018 175.510 -0.026 0.000 1.019 767 N CA 1.599 54.671 53.050 0.037 0.000 0.856 767 N CB -0.293 38.206 38.487 0.021 0.000 0.993 767 N HN 0.198 nan 8.380 nan 0.000 0.426 768 T N 0.633 115.117 114.554 -0.117 0.000 2.708 768 T HA -0.097 4.256 4.350 0.005 0.000 0.266 768 T C 1.615 176.188 174.700 -0.212 0.000 1.037 768 T CA 1.066 63.036 62.100 -0.216 0.000 1.146 768 T CB -0.475 68.183 68.868 -0.349 0.000 0.865 768 T HN 0.285 nan 8.240 nan 0.000 0.435 769 Y N 1.616 121.904 120.300 -0.020 0.000 2.030 769 Y HA -0.247 4.306 4.550 0.005 0.000 0.274 769 Y C 2.988 178.867 175.900 -0.035 0.000 1.153 769 Y CA 1.383 59.468 58.100 -0.026 0.000 1.115 769 Y CB -0.793 37.655 38.460 -0.019 0.000 0.969 769 Y HN 0.087 nan 8.280 nan 0.000 0.488 770 Q N 0.625 120.512 119.800 0.144 0.000 2.197 770 Q HA -0.211 4.132 4.340 0.005 0.000 0.211 770 Q C 2.040 178.037 176.000 -0.006 0.000 0.993 770 Q CA 2.392 58.215 55.803 0.033 0.000 0.883 770 Q CB -0.618 28.107 28.738 -0.022 0.000 0.916 770 Q HN 0.403 nan 8.270 nan 0.000 0.418 771 S N -0.763 114.925 115.700 -0.020 0.000 2.436 771 S HA 0.098 4.570 4.470 0.005 0.000 0.228 771 S C 1.694 176.274 174.600 -0.034 0.000 1.014 771 S CA 0.661 58.835 58.200 -0.043 0.000 0.950 771 S CB -0.177 62.985 63.200 -0.062 0.000 0.784 771 S HN 0.584 nan 8.310 nan 0.000 0.504 772 A N 0.747 123.554 122.820 -0.022 0.000 2.072 772 A HA 0.233 4.556 4.320 0.005 0.000 0.216 772 A C 1.953 179.531 177.584 -0.010 0.000 1.156 772 A CA 0.623 52.650 52.037 -0.018 0.000 0.701 772 A CB -0.313 18.681 19.000 -0.009 0.000 0.816 772 A HN 0.439 nan 8.150 nan 0.000 0.458 773 M N -1.266 118.337 119.600 0.006 0.000 2.447 773 M HA 0.073 4.555 4.480 0.005 0.000 0.266 773 M C 2.211 178.513 176.300 0.005 0.000 1.120 773 M CA 0.842 56.142 55.300 0.001 0.000 1.166 773 M CB -0.234 32.374 32.600 0.013 0.000 1.349 773 M HN 0.466 nan 8.290 nan 0.000 0.463 774 G N 1.193 110.002 108.800 0.014 0.000 2.532 774 G HA2 -0.228 3.735 3.960 0.005 0.000 0.222 774 G HA3 -0.228 3.735 3.960 0.005 0.000 0.222 774 G C 1.586 176.526 174.900 0.067 0.000 1.102 774 G CA 0.941 46.073 45.100 0.053 0.000 0.742 774 G HN 0.406 nan 8.290 nan 0.000 0.577 775 K N -0.588 119.819 120.400 0.012 0.000 2.400 775 K HA 0.063 4.386 4.320 0.005 0.000 0.194 775 K C 1.802 178.344 176.600 -0.098 0.000 1.033 775 K CA 0.526 56.804 56.287 -0.016 0.000 1.021 775 K CB 0.320 32.794 32.500 -0.044 0.000 0.808 775 K HN 0.369 nan 8.250 nan 0.000 0.505 776 Q N -0.361 119.357 119.800 -0.137 0.000 2.164 776 Q HA 0.243 4.586 4.340 0.005 0.000 0.226 776 Q C -0.173 175.691 176.000 -0.227 0.000 0.813 776 Q CA -0.332 55.248 55.803 -0.373 0.000 0.978 776 Q CB 1.327 29.892 28.738 -0.288 0.000 1.149 776 Q HN 0.113 nan 8.270 nan 0.000 0.489 777 A N 1.109 123.937 122.820 0.013 0.000 2.483 777 A HA 0.307 4.630 4.320 0.005 0.000 0.238 777 A C -0.288 177.472 177.584 0.293 0.000 1.070 777 A CA 0.176 52.293 52.037 0.133 0.000 0.770 777 A CB 0.220 19.323 19.000 0.172 0.000 1.008 777 A HN 0.359 nan 8.150 nan 0.000 0.497 778 M N 1.724 121.472 119.600 0.245 0.000 2.336 778 M HA 0.574 5.057 4.480 0.005 0.000 0.342 778 M C 0.451 176.830 176.300 0.131 0.000 1.128 778 M CA 0.488 55.924 55.300 0.226 0.000 1.016 778 M CB 1.761 34.466 32.600 0.175 0.000 1.665 778 M HN 0.986 nan 8.290 nan 0.000 0.445 779 G N 1.737 110.571 108.800 0.057 0.000 2.604 779 G HA2 0.366 4.329 3.960 0.005 0.000 0.242 779 G HA3 0.366 4.329 3.960 0.005 0.000 0.242 779 G C -1.667 173.206 174.900 -0.046 0.000 1.208 779 G CA -0.585 44.521 45.100 0.010 0.000 0.912 779 G HN 0.449 nan 8.290 nan 0.000 0.502 780 V N 2.521 122.378 119.914 -0.096 0.000 2.370 780 V HA 0.244 4.367 4.120 0.005 0.000 0.257 780 V C 1.117 177.162 176.094 -0.082 0.000 1.064 780 V CA 0.359 62.560 62.300 -0.166 0.000 0.975 780 V CB -0.391 31.294 31.823 -0.231 0.000 1.067 780 V HN 0.614 nan 8.190 nan 0.000 0.485 781 F N 4.834 124.696 119.950 -0.146 0.000 2.387 781 F HA 0.500 5.029 4.527 0.004 0.000 0.294 781 F C 0.326 176.151 175.800 0.041 0.000 1.093 781 F CA 0.246 58.218 58.000 -0.045 0.000 1.420 781 F CB 0.188 39.123 39.000 -0.108 0.000 1.086 781 F HN 0.243 nan 8.300 nan 0.000 0.531 782 L N -0.286 120.470 121.223 -0.779 0.000 2.582 782 L HA 0.225 4.568 4.340 0.005 0.000 0.257 782 L C 0.824 177.499 176.870 -0.325 0.000 0.974 782 L CA -0.608 53.960 54.840 -0.453 0.000 0.851 782 L CB 2.117 43.919 42.059 -0.429 0.000 1.424 782 L HN -0.184 nan 8.230 nan 0.000 0.412 783 T N -0.636 113.847 114.554 -0.118 0.000 2.788 783 T HA -0.105 4.248 4.350 0.005 0.000 0.268 783 T C 1.157 175.817 174.700 -0.066 0.000 1.044 783 T CA 1.904 63.994 62.100 -0.018 0.000 1.139 783 T CB -0.330 68.617 68.868 0.131 0.000 0.867 783 T HN 0.687 nan 8.240 nan 0.000 0.454 784 N N 1.702 120.331 118.700 -0.120 0.000 2.362 784 N HA -0.010 4.733 4.740 0.005 0.000 0.211 784 N C 1.142 176.518 175.510 -0.224 0.000 1.170 784 N CA -0.177 52.780 53.050 -0.155 0.000 0.828 784 N CB -1.069 37.361 38.487 -0.096 0.000 1.034 784 N HN 0.676 nan 8.380 nan 0.000 0.475 785 Y N -0.674 119.412 120.300 -0.358 0.000 2.224 785 Y HA -0.075 4.478 4.550 0.004 0.000 0.289 785 Y C 1.940 177.676 175.900 -0.273 0.000 1.146 785 Y CA 1.169 59.045 58.100 -0.373 0.000 1.182 785 Y CB -0.967 37.207 38.460 -0.476 0.000 0.983 785 Y HN 0.070 nan 8.280 nan 0.000 0.524 786 N N 0.851 119.030 118.700 -0.868 0.000 2.205 786 N HA -0.158 4.585 4.740 0.005 0.000 0.186 786 N C 1.380 176.739 175.510 -0.252 0.000 1.015 786 N CA 1.888 54.589 53.050 -0.581 0.000 0.862 786 N CB -0.205 37.956 38.487 -0.543 0.000 0.986 786 N HN 0.374 nan 8.380 nan 0.000 0.429 787 V N -0.205 119.590 119.914 -0.198 0.000 2.500 787 V HA 0.071 4.194 4.120 0.005 0.000 0.243 787 V C 1.029 177.102 176.094 -0.035 0.000 1.039 787 V CA 0.850 63.096 62.300 -0.092 0.000 1.053 787 V CB -0.417 31.363 31.823 -0.071 0.000 0.695 787 V HN 0.179 nan 8.190 nan 0.000 0.463 788 R N 0.360 120.847 120.500 -0.022 0.000 2.615 788 R HA 0.438 4.781 4.340 0.005 0.000 0.270 788 R C -0.114 176.213 176.300 0.045 0.000 1.081 788 R CA 0.058 56.181 56.100 0.039 0.000 1.154 788 R CB 0.373 30.723 30.300 0.084 0.000 1.063 788 R HN 0.156 nan 8.270 nan 0.000 0.519 789 M N 2.801 122.440 119.600 0.065 0.000 3.269 789 M HA 0.155 4.637 4.480 0.005 0.000 0.340 789 M C -1.688 174.646 176.300 0.056 0.000 1.662 789 M CA -0.631 54.702 55.300 0.056 0.000 0.547 789 M CB 0.736 33.370 32.600 0.057 0.000 1.449 789 M HN 0.640 nan 8.290 nan 0.000 0.459 790 D N -0.246 120.179 120.400 0.042 0.000 2.198 790 D HA 0.373 5.016 4.640 0.005 0.000 0.247 790 D C -0.054 176.232 176.300 -0.022 0.000 1.010 790 D CA -0.448 53.561 54.000 0.016 0.000 0.880 790 D CB 0.805 41.610 40.800 0.008 0.000 1.209 790 D HN 0.088 nan 8.370 nan 0.000 0.451 791 T N 1.891 116.427 114.554 -0.031 0.000 2.761 791 T HA 0.188 4.541 4.350 0.005 0.000 0.262 791 T C 0.385 175.050 174.700 -0.059 0.000 0.968 791 T CA 0.009 62.072 62.100 -0.061 0.000 1.235 791 T CB -0.861 67.967 68.868 -0.066 0.000 0.925 791 T HN 0.537 nan 8.240 nan 0.000 0.545 792 M N 1.533 121.099 119.600 -0.057 0.000 4.047 792 M HA 0.034 4.517 4.480 0.005 0.000 0.157 792 M C -0.884 175.351 176.300 -0.109 0.000 1.532 792 M CA 0.261 55.560 55.300 -0.003 0.000 1.097 792 M CB -0.814 31.835 32.600 0.082 0.000 1.346 792 M HN 0.964 nan 8.290 nan 0.000 0.190 793 A N 5.056 127.827 122.820 -0.080 0.000 2.547 793 A HA 0.765 5.088 4.320 0.005 0.000 0.298 793 A C -1.504 176.033 177.584 -0.077 0.000 1.062 793 A CA -0.843 51.017 52.037 -0.296 0.000 0.748 793 A CB 1.485 20.304 19.000 -0.301 0.000 1.288 793 A HN 0.767 nan 8.150 nan 0.000 0.396 794 N N 1.027 119.568 118.700 -0.265 0.000 2.249 794 N HA 0.713 5.456 4.740 0.005 0.000 0.296 794 N C -1.621 173.806 175.510 -0.139 0.000 1.051 794 N CA -0.421 52.578 53.050 -0.086 0.000 0.815 794 N CB 2.255 40.638 38.487 -0.173 0.000 1.487 794 N HN 0.466 nan 8.380 nan 0.000 0.475 795 I N 1.308 121.856 120.570 -0.036 0.000 2.686 795 I HA 0.286 4.458 4.170 0.005 0.000 0.295 795 I C -0.495 175.635 176.117 0.022 0.000 1.114 795 I CA -0.646 60.593 61.300 -0.102 0.000 1.038 795 I CB 1.805 39.586 38.000 -0.365 0.000 1.238 795 I HN 0.313 nan 8.210 nan 0.000 0.420 796 L N 4.342 125.589 121.223 0.041 0.000 2.456 796 L HA 0.155 4.498 4.340 0.005 0.000 0.272 796 L C 0.642 177.615 176.870 0.172 0.000 1.189 796 L CA 0.662 55.592 54.840 0.150 0.000 0.846 796 L CB 0.118 42.259 42.059 0.136 0.000 1.111 796 L HN 0.457 nan 8.230 nan 0.000 0.475 797 Y N 3.353 123.681 120.300 0.047 0.000 2.070 797 Y HA -0.190 4.362 4.550 0.004 0.000 0.279 797 Y C 0.542 176.333 175.900 -0.181 0.000 1.134 797 Y CA 1.750 59.823 58.100 -0.045 0.000 1.113 797 Y CB -0.351 38.185 38.460 0.128 0.000 0.981 797 Y HN 0.494 nan 8.280 nan 0.000 0.487 798 Y N 0.333 120.733 120.300 0.167 0.000 2.635 798 Y HA 0.363 4.915 4.550 0.004 0.000 0.373 798 Y C -2.217 173.685 175.900 0.003 0.000 1.000 798 Y CA -3.833 54.300 58.100 0.055 0.000 1.219 798 Y CB -0.878 37.602 38.460 0.033 0.000 1.294 798 Y HN -0.013 nan 8.280 nan 0.000 0.612 799 P HA -0.105 nan 4.420 nan 0.000 0.269 799 P C -0.356 176.972 177.300 0.047 0.000 1.185 799 P CA 0.551 63.679 63.100 0.046 0.000 0.769 799 P CB 0.931 32.619 31.700 -0.021 0.000 0.809 800 Q N 0.035 119.875 119.800 0.068 0.000 2.309 800 Q HA 0.219 4.562 4.340 0.005 0.000 0.273 800 Q C -0.430 175.679 176.000 0.182 0.000 1.040 800 Q CA -1.023 54.841 55.803 0.102 0.000 0.834 800 Q CB 2.332 31.135 28.738 0.108 0.000 1.345 800 Q HN 0.358 nan 8.270 nan 0.000 0.414 801 K N 2.174 122.610 120.400 0.060 0.000 2.414 801 K HA 0.308 4.631 4.320 0.005 0.000 0.272 801 K C -2.334 174.273 176.600 0.012 0.000 0.993 801 K CA -1.008 55.274 56.287 -0.008 0.000 0.964 801 K CB 0.280 32.751 32.500 -0.049 0.000 0.925 801 K HN 0.170 nan 8.250 nan 0.000 0.487 802 P HA -0.013 nan 4.420 nan 0.000 0.275 802 P C 0.369 177.594 177.300 -0.125 0.000 1.266 802 P CA -0.356 62.459 63.100 -0.474 0.000 0.793 802 P CB 0.645 31.770 31.700 -0.959 0.000 1.074 803 L N -0.912 120.289 121.223 -0.037 0.000 2.202 803 L HA 0.160 4.503 4.340 0.005 0.000 0.205 803 L C 1.500 178.328 176.870 -0.071 0.000 1.083 803 L CA 1.029 55.853 54.840 -0.027 0.000 0.790 803 L CB -0.657 41.409 42.059 0.012 0.000 0.942 803 L HN 0.466 nan 8.230 nan 0.000 0.452 804 G N 0.124 108.863 108.800 -0.102 0.000 2.415 804 G HA2 0.413 4.376 3.960 0.005 0.000 0.317 804 G HA3 0.413 4.376 3.960 0.005 0.000 0.317 804 G C -0.148 174.614 174.900 -0.230 0.000 1.152 804 G CA -0.130 44.879 45.100 -0.153 0.000 0.956 804 G HN 0.070 nan 8.290 nan 0.000 0.458 805 T N -0.324 114.096 114.554 -0.224 0.000 2.897 805 T HA 0.700 5.053 4.350 0.005 0.000 0.278 805 T C 0.438 174.967 174.700 -0.284 0.000 0.981 805 T CA -0.480 61.469 62.100 -0.251 0.000 0.973 805 T CB 1.637 70.380 68.868 -0.207 0.000 1.092 805 T HN 0.249 nan 8.240 nan 0.000 0.543 806 T N 1.619 116.003 114.554 -0.284 0.000 2.928 806 T HA 0.382 4.735 4.350 0.005 0.000 0.284 806 T C 1.285 175.803 174.700 -0.304 0.000 1.008 806 T CA -0.932 61.010 62.100 -0.263 0.000 1.057 806 T CB 1.288 70.028 68.868 -0.213 0.000 1.018 806 T HN 0.487 nan 8.240 nan 0.000 0.493 807 R N 1.064 121.340 120.500 -0.374 0.000 2.293 807 R HA 0.013 4.356 4.340 0.005 0.000 0.219 807 R C 1.768 177.715 176.300 -0.588 0.000 1.091 807 R CA 0.677 56.353 56.100 -0.706 0.000 1.004 807 R CB -0.798 28.669 30.300 -1.389 0.000 0.865 807 R HN 0.741 nan 8.270 nan 0.000 0.469 808 A N -0.676 122.008 122.820 -0.227 0.000 2.169 808 A HA 0.100 4.423 4.320 0.005 0.000 0.210 808 A C 1.992 179.536 177.584 -0.067 0.000 1.168 808 A CA -0.113 51.945 52.037 0.036 0.000 0.813 808 A CB -0.038 19.087 19.000 0.207 0.000 0.861 808 A HN 0.137 nan 8.150 nan 0.000 0.481 809 M N -0.451 119.043 119.600 -0.176 0.000 2.108 809 M HA -0.213 4.270 4.480 0.005 0.000 0.261 809 M C 2.002 178.204 176.300 -0.164 0.000 1.066 809 M CA 2.039 57.248 55.300 -0.151 0.000 1.107 809 M CB -0.474 32.027 32.600 -0.166 0.000 1.356 809 M HN 0.556 nan 8.290 nan 0.000 0.406 810 E N 0.904 120.901 120.200 -0.339 0.000 2.172 810 E HA -0.246 4.107 4.350 0.005 0.000 0.213 810 E C 1.220 177.557 176.600 -0.439 0.000 1.051 810 E CA 2.262 58.361 56.400 -0.502 0.000 0.860 810 E CB -0.423 28.728 29.700 -0.916 0.000 0.755 810 E HN 0.715 nan 8.360 nan 0.000 0.462 811 Y N -1.037 119.187 120.300 -0.127 0.000 2.462 811 Y HA 0.273 4.826 4.550 0.005 0.000 0.261 811 Y C 1.323 177.111 175.900 -0.186 0.000 1.146 811 Y CA -0.194 57.765 58.100 -0.236 0.000 1.283 811 Y CB 0.468 38.590 38.460 -0.565 0.000 1.090 811 Y HN -0.002 nan 8.280 nan 0.000 0.526 812 L N 0.327 121.570 121.223 0.033 0.000 2.653 812 L HA 0.095 4.438 4.340 0.005 0.000 0.231 812 L C 0.220 177.216 176.870 0.209 0.000 1.153 812 L CA 0.075 54.991 54.840 0.127 0.000 0.933 812 L CB -0.111 42.011 42.059 0.106 0.000 1.175 812 L HN 0.083 nan 8.230 nan 0.000 0.473 813 K N 0.049 120.505 120.400 0.094 0.000 3.356 813 K HA -0.260 4.063 4.320 0.005 0.000 0.270 813 K C 0.572 177.097 176.600 -0.126 0.000 0.901 813 K CA 0.652 56.934 56.287 -0.008 0.000 0.688 813 K CB -1.959 30.562 32.500 0.035 0.000 1.460 813 K HN 0.266 nan 8.250 nan 0.000 0.458 814 F N 0.577 120.437 119.950 -0.150 0.000 2.343 814 F HA 0.060 4.590 4.527 0.005 0.000 0.286 814 F C 1.923 177.626 175.800 -0.162 0.000 1.057 814 F CA 0.434 58.351 58.000 -0.138 0.000 1.365 814 F CB 0.169 39.117 39.000 -0.088 0.000 1.114 814 F HN 0.080 nan 8.300 nan 0.000 0.545 815 R N 0.462 120.964 120.500 0.003 0.000 2.355 815 R HA -0.138 4.205 4.340 0.005 0.000 0.219 815 R C 1.047 177.253 176.300 -0.155 0.000 1.107 815 R CA 1.207 57.258 56.100 -0.083 0.000 1.021 815 R CB -0.401 29.863 30.300 -0.059 0.000 0.852 815 R HN 0.401 nan 8.270 nan 0.000 0.475 816 E N -0.109 119.956 120.200 -0.225 0.000 2.175 816 E HA 0.088 4.441 4.350 0.005 0.000 0.195 816 E C 0.070 176.388 176.600 -0.470 0.000 0.934 816 E CA 0.472 56.701 56.400 -0.286 0.000 0.870 816 E CB 0.374 29.931 29.700 -0.239 0.000 0.838 816 E HN -0.011 nan 8.360 nan 0.000 0.474 817 L N 2.403 123.255 121.223 -0.618 0.000 2.935 817 L HA 0.318 4.660 4.340 0.005 0.000 0.243 817 L C -2.397 174.127 176.870 -0.576 0.000 1.313 817 L CA -1.613 52.859 54.840 -0.613 0.000 0.969 817 L CB 0.596 42.183 42.059 -0.787 0.000 1.320 817 L HN -0.053 nan 8.230 nan 0.000 0.511 818 P HA 0.160 nan 4.420 nan 0.000 0.269 818 P C -0.638 176.451 177.300 -0.353 0.000 1.215 818 P CA -0.171 62.449 63.100 -0.800 0.000 0.780 818 P CB 1.262 32.729 31.700 -0.389 0.000 0.898 819 A N 1.450 124.157 122.820 -0.188 0.000 2.340 819 A HA 0.730 5.053 4.320 0.005 0.000 0.297 819 A C 0.076 177.795 177.584 0.225 0.000 1.195 819 A CA -0.098 51.993 52.037 0.090 0.000 0.769 819 A CB 0.354 19.454 19.000 0.168 0.000 1.163 819 A HN 0.848 nan 8.150 nan 0.000 0.472 820 G N 1.504 110.370 108.800 0.110 0.000 2.435 820 G HA2 0.304 4.267 3.960 0.005 0.000 0.603 820 G HA3 0.304 4.267 3.960 0.005 0.000 0.603 820 G C -1.240 173.383 174.900 -0.461 0.000 1.496 820 G CA -0.995 43.970 45.100 -0.225 0.000 0.896 820 G HN 0.844 nan 8.290 nan 0.000 0.657 821 Q N 0.222 119.803 119.800 -0.366 0.000 2.301 821 Q HA 0.462 4.805 4.340 0.005 0.000 0.267 821 Q C -0.060 175.758 176.000 -0.302 0.000 1.035 821 Q CA -1.111 54.483 55.803 -0.349 0.000 0.856 821 Q CB 1.703 30.082 28.738 -0.598 0.000 1.337 821 Q HN 0.400 nan 8.270 nan 0.000 0.450 822 N N 1.168 119.816 118.700 -0.086 0.000 3.245 822 N HA 0.194 4.937 4.740 0.005 0.000 0.296 822 N C -1.304 174.165 175.510 -0.069 0.000 1.254 822 N CA 0.004 53.077 53.050 0.039 0.000 1.190 822 N CB 0.255 38.819 38.487 0.128 0.000 1.460 822 N HN 0.563 nan 8.380 nan 0.000 0.538 823 A N 2.031 124.775 122.820 -0.126 0.000 2.409 823 A HA 0.228 4.551 4.320 0.005 0.000 0.262 823 A C 0.701 178.160 177.584 -0.208 0.000 1.113 823 A CA -0.402 51.511 52.037 -0.207 0.000 0.790 823 A CB 0.355 19.201 19.000 -0.257 0.000 1.046 823 A HN 0.371 nan 8.150 nan 0.000 0.496 824 I N 3.020 123.446 120.570 -0.240 0.000 2.662 824 I HA 0.055 4.228 4.170 0.005 0.000 0.285 824 I C 0.196 176.047 176.117 -0.442 0.000 1.161 824 I CA 0.749 61.851 61.300 -0.330 0.000 1.415 824 I CB 0.405 38.236 38.000 -0.282 0.000 1.385 824 I HN 0.309 nan 8.210 nan 0.000 0.552 825 V N 6.669 126.269 119.914 -0.523 0.000 2.656 825 V HA 0.757 4.880 4.120 0.005 0.000 0.307 825 V C -0.179 175.612 176.094 -0.504 0.000 1.051 825 V CA -0.554 61.478 62.300 -0.446 0.000 0.893 825 V CB 2.020 33.677 31.823 -0.277 0.000 0.999 825 V HN 0.857 nan 8.190 nan 0.000 0.426 826 A N 6.990 129.613 122.820 -0.327 0.000 2.311 826 A HA 0.741 5.064 4.320 0.005 0.000 0.306 826 A C -0.602 176.976 177.584 -0.010 0.000 1.189 826 A CA -0.530 51.403 52.037 -0.174 0.000 0.791 826 A CB 0.558 19.501 19.000 -0.095 0.000 1.172 826 A HN 0.772 nan 8.150 nan 0.000 0.481 827 I N 2.470 123.095 120.570 0.092 0.000 2.347 827 I HA 0.504 4.676 4.170 0.005 0.000 0.294 827 I C 0.569 176.748 176.117 0.104 0.000 1.090 827 I CA 0.439 61.807 61.300 0.113 0.000 1.314 827 I CB 0.385 38.475 38.000 0.150 0.000 1.423 827 I HN 0.734 nan 8.210 nan 0.000 0.503 828 A N 5.058 127.933 122.820 0.092 0.000 2.567 828 A HA 0.614 4.937 4.320 0.005 0.000 0.291 828 A C -1.183 176.486 177.584 0.141 0.000 1.048 828 A CA -0.740 51.367 52.037 0.116 0.000 0.661 828 A CB 1.055 20.122 19.000 0.113 0.000 1.288 828 A HN 0.726 nan 8.150 nan 0.000 0.424 829 C N 0.659 120.067 119.300 0.180 0.000 2.258 829 C HA 0.732 5.195 4.460 0.005 0.000 0.321 829 C C 0.212 175.382 174.990 0.300 0.000 1.168 829 C CA -0.994 58.146 59.018 0.203 0.000 1.531 829 C CB -1.767 26.076 27.740 0.173 0.000 2.095 829 C HN 0.683 nan 8.230 nan 0.000 0.449 830 Y N 2.924 123.309 120.300 0.142 0.000 2.677 830 Y HA 0.289 4.841 4.550 0.004 0.000 0.428 830 Y C 2.354 178.381 175.900 0.213 0.000 1.390 830 Y CA 0.393 58.610 58.100 0.195 0.000 1.815 830 Y CB 0.102 38.716 38.460 0.257 0.000 1.738 830 Y HN 0.731 nan 8.280 nan 0.000 0.662 831 S N -0.221 115.584 115.700 0.175 0.000 2.509 831 S HA -0.291 4.182 4.470 0.005 0.000 0.285 831 S C 1.397 176.089 174.600 0.153 0.000 1.185 831 S CA 2.016 60.317 58.200 0.169 0.000 1.152 831 S CB -1.355 62.105 63.200 0.434 0.000 1.088 831 S HN 1.718 nan 8.310 nan 0.000 0.446 832 G N -1.374 107.544 108.800 0.197 0.000 2.161 832 G HA2 -0.108 3.855 3.960 0.005 0.000 0.140 832 G HA3 -0.108 3.855 3.960 0.005 0.000 0.140 832 G C 0.109 174.957 174.900 -0.086 0.000 1.040 832 G CA 0.093 45.210 45.100 0.028 0.000 0.735 832 G HN 0.472 nan 8.290 nan 0.000 0.496 833 Y N 1.142 121.486 120.300 0.074 0.000 2.500 833 Y HA 0.131 4.684 4.550 0.005 0.000 0.270 833 Y C 2.076 177.974 175.900 -0.004 0.000 1.134 833 Y CA 1.025 59.142 58.100 0.027 0.000 1.293 833 Y CB 0.472 38.940 38.460 0.012 0.000 1.063 833 Y HN 0.446 nan 8.280 nan 0.000 0.534 834 N N -0.099 118.668 118.700 0.111 0.000 2.327 834 N HA 0.018 4.761 4.740 0.005 0.000 0.231 834 N C -0.304 175.222 175.510 0.027 0.000 1.130 834 N CA -0.013 53.074 53.050 0.062 0.000 0.845 834 N CB -0.172 38.352 38.487 0.062 0.000 1.073 834 N HN 0.309 nan 8.380 nan 0.000 0.496 835 Q N 0.611 120.406 119.800 -0.008 0.000 2.260 835 Q HA 0.176 4.518 4.340 0.005 0.000 0.238 835 Q C -0.380 175.593 176.000 -0.044 0.000 0.948 835 Q CA -0.494 55.279 55.803 -0.050 0.000 0.895 835 Q CB 0.761 29.440 28.738 -0.099 0.000 1.218 835 Q HN 0.221 nan 8.270 nan 0.000 0.470 836 E N 2.470 122.634 120.200 -0.060 0.000 2.332 836 E HA -0.283 4.070 4.350 0.005 0.000 0.162 836 E C -1.017 175.568 176.600 -0.025 0.000 1.637 836 E CA 0.678 57.052 56.400 -0.044 0.000 0.654 836 E CB -1.215 28.455 29.700 -0.050 0.000 1.072 836 E HN 0.732 nan 8.360 nan 0.000 0.336 837 D N -0.943 119.450 120.400 -0.013 0.000 2.701 837 D HA -0.191 4.452 4.640 0.005 0.000 0.235 837 D C 0.090 176.394 176.300 0.007 0.000 1.155 837 D CA 1.757 55.752 54.000 -0.007 0.000 0.649 837 D CB -1.097 39.687 40.800 -0.028 0.000 1.050 837 D HN 0.554 nan 8.370 nan 0.000 0.425 838 S N -1.233 114.476 115.700 0.015 0.000 2.726 838 S HA 0.871 5.344 4.470 0.005 0.000 0.308 838 S C 0.147 174.767 174.600 0.034 0.000 1.115 838 S CA -1.023 57.195 58.200 0.030 0.000 0.965 838 S CB 2.769 65.987 63.200 0.031 0.000 1.145 838 S HN 0.301 nan 8.310 nan 0.000 0.532 839 M N 0.002 119.619 119.600 0.027 0.000 2.470 839 M HA 0.597 5.080 4.480 0.005 0.000 0.285 839 M C -2.036 174.233 176.300 -0.051 0.000 1.213 839 M CA -0.747 54.547 55.300 -0.010 0.000 0.901 839 M CB 1.403 33.986 32.600 -0.027 0.000 1.718 839 M HN 0.580 nan 8.290 nan 0.000 0.469 840 I N 2.836 123.352 120.570 -0.091 0.000 2.353 840 I HA 0.506 4.679 4.170 0.005 0.000 0.293 840 I C -0.389 175.618 176.117 -0.183 0.000 0.992 840 I CA -0.397 60.798 61.300 -0.175 0.000 1.268 840 I CB 1.865 39.724 38.000 -0.236 0.000 1.387 840 I HN 0.764 nan 8.210 nan 0.000 0.478 841 M N 5.065 124.557 119.600 -0.179 0.000 2.664 841 M HA 0.388 4.871 4.480 0.005 0.000 0.314 841 M C -0.448 175.791 176.300 -0.101 0.000 1.200 841 M CA -0.792 54.416 55.300 -0.152 0.000 0.916 841 M CB 1.811 34.327 32.600 -0.141 0.000 1.717 841 M HN 0.469 nan 8.290 nan 0.000 0.470 842 N N 2.450 121.101 118.700 -0.080 0.000 2.402 842 N HA 0.018 4.761 4.740 0.005 0.000 0.259 842 N C 0.374 175.873 175.510 -0.018 0.000 1.167 842 N CA 0.246 53.276 53.050 -0.034 0.000 0.949 842 N CB 0.873 39.330 38.487 -0.049 0.000 1.212 842 N HN 0.626 nan 8.380 nan 0.000 0.493 843 Q N 2.647 122.455 119.800 0.014 0.000 2.112 843 Q HA -0.166 4.177 4.340 0.005 0.000 0.206 843 Q C 1.138 177.137 176.000 -0.001 0.000 0.987 843 Q CA 1.957 57.769 55.803 0.015 0.000 0.858 843 Q CB -0.385 28.376 28.738 0.040 0.000 0.905 843 Q HN 0.687 nan 8.270 nan 0.000 0.420 844 S N 0.200 115.898 115.700 -0.003 0.000 2.359 844 S HA -0.219 4.254 4.470 0.005 0.000 0.223 844 S C 1.966 176.542 174.600 -0.040 0.000 1.039 844 S CA 1.753 59.940 58.200 -0.021 0.000 1.042 844 S CB -0.841 62.345 63.200 -0.024 0.000 0.915 844 S HN 0.706 nan 8.310 nan 0.000 0.439 845 S N 1.658 117.327 115.700 -0.051 0.000 2.442 845 S HA -0.017 4.456 4.470 0.005 0.000 0.236 845 S C 1.731 176.283 174.600 -0.080 0.000 1.007 845 S CA 0.848 59.000 58.200 -0.080 0.000 0.965 845 S CB -0.743 62.395 63.200 -0.103 0.000 0.773 845 S HN 0.440 nan 8.310 nan 0.000 0.504 846 I N 2.751 123.293 120.570 -0.048 0.000 2.142 846 I HA -0.183 3.990 4.170 0.005 0.000 0.240 846 I C 2.055 178.143 176.117 -0.049 0.000 1.078 846 I CA 1.611 62.893 61.300 -0.030 0.000 1.343 846 I CB -0.485 37.518 38.000 0.004 0.000 1.046 846 I HN 0.186 nan 8.210 nan 0.000 0.405 847 D N 0.783 121.158 120.400 -0.041 0.000 2.149 847 D HA -0.180 4.463 4.640 0.005 0.000 0.198 847 D C 2.080 178.348 176.300 -0.054 0.000 0.990 847 D CA 1.088 55.064 54.000 -0.040 0.000 0.839 847 D CB -0.456 40.328 40.800 -0.028 0.000 0.948 847 D HN 0.300 nan 8.370 nan 0.000 0.460 848 R N -0.386 120.070 120.500 -0.073 0.000 2.339 848 R HA 0.105 4.448 4.340 0.005 0.000 0.199 848 R C 1.268 177.476 176.300 -0.154 0.000 1.018 848 R CA 0.738 56.776 56.100 -0.103 0.000 1.036 848 R CB 0.203 30.437 30.300 -0.111 0.000 0.899 848 R HN 0.344 nan 8.270 nan 0.000 0.473 849 G N 0.725 109.446 108.800 -0.131 0.000 2.278 849 G HA2 -0.235 3.728 3.960 0.005 0.000 0.210 849 G HA3 -0.235 3.728 3.960 0.005 0.000 0.210 849 G C 0.022 174.852 174.900 -0.117 0.000 1.000 849 G CA -0.356 44.663 45.100 -0.136 0.000 0.635 849 G HN 0.249 nan 8.290 nan 0.000 0.495 850 L N 1.621 122.749 121.223 -0.157 0.000 2.667 850 L HA 0.481 4.824 4.340 0.005 0.000 0.278 850 L C 0.940 177.786 176.870 -0.040 0.000 1.217 850 L CA 1.128 55.832 54.840 -0.227 0.000 0.935 850 L CB -0.612 41.279 42.059 -0.280 0.000 1.193 850 L HN 0.639 nan 8.230 nan 0.000 0.493 851 F N 2.522 122.500 119.950 0.046 0.000 3.071 851 F HA -0.279 4.250 4.527 0.004 0.000 0.295 851 F C 0.834 176.671 175.800 0.061 0.000 0.919 851 F CA 0.259 58.327 58.000 0.114 0.000 1.050 851 F CB -0.998 38.157 39.000 0.259 0.000 1.040 851 F HN 0.576 nan 8.300 nan 0.000 0.692 852 R N 0.422 120.998 120.500 0.127 0.000 2.486 852 R HA 0.696 5.039 4.340 0.005 0.000 0.286 852 R C 0.053 176.426 176.300 0.123 0.000 0.999 852 R CA 0.021 56.071 56.100 -0.083 0.000 0.993 852 R CB 1.640 31.535 30.300 -0.676 0.000 1.084 852 R HN 0.215 nan 8.270 nan 0.000 0.487 853 S N 1.717 117.505 115.700 0.148 0.000 2.600 853 S HA 0.594 5.067 4.470 0.005 0.000 0.300 853 S C -0.635 174.200 174.600 0.392 0.000 1.087 853 S CA -1.007 57.362 58.200 0.282 0.000 0.965 853 S CB 1.317 64.612 63.200 0.158 0.000 1.089 853 S HN 0.317 nan 8.310 nan 0.000 0.496 854 L N 1.788 123.220 121.223 0.349 0.000 2.317 854 L HA 0.599 4.942 4.340 0.005 0.000 0.281 854 L C -1.183 175.873 176.870 0.311 0.000 1.024 854 L CA -0.712 54.293 54.840 0.275 0.000 0.810 854 L CB 1.385 43.596 42.059 0.253 0.000 1.240 854 L HN 0.794 nan 8.230 nan 0.000 0.427 855 F N 4.166 124.131 119.950 0.026 0.000 2.434 855 F HA 0.535 5.064 4.527 0.003 0.000 0.367 855 F C -1.115 174.707 175.800 0.036 0.000 1.093 855 F CA -0.923 57.120 58.000 0.071 0.000 1.085 855 F CB 0.372 39.386 39.000 0.025 0.000 1.322 855 F HN 0.076 nan 8.300 nan 0.000 0.452 856 F N 5.065 124.791 119.950 -0.373 0.000 2.384 856 F HA 0.602 5.133 4.527 0.007 0.000 0.338 856 F C 0.468 175.898 175.800 -0.616 0.000 1.103 856 F CA -0.523 57.245 58.000 -0.388 0.000 1.157 856 F CB 0.982 39.909 39.000 -0.122 0.000 1.167 856 F HN 0.383 nan 8.300 nan 0.000 0.529 857 R N 0.700 120.997 120.500 -0.337 0.000 2.725 857 R HA 0.599 4.942 4.340 0.005 0.000 0.277 857 R C -1.508 174.770 176.300 -0.036 0.000 0.987 857 R CA -0.627 55.314 56.100 -0.265 0.000 0.901 857 R CB 2.187 32.275 30.300 -0.355 0.000 1.207 857 R HN 0.716 nan 8.270 nan 0.000 0.463 858 S N 2.526 118.185 115.700 -0.068 0.000 2.478 858 S HA 0.474 4.947 4.470 0.005 0.000 0.312 858 S C -1.219 173.335 174.600 -0.076 0.000 1.094 858 S CA -0.555 57.655 58.200 0.017 0.000 1.081 858 S CB 0.740 63.945 63.200 0.008 0.000 1.007 858 S HN 0.343 nan 8.310 nan 0.000 0.475 859 Y N 1.737 122.007 120.300 -0.049 0.000 2.458 859 Y HA 0.722 5.277 4.550 0.007 0.000 0.322 859 Y C 0.455 176.317 175.900 -0.063 0.000 1.259 859 Y CA -1.278 56.795 58.100 -0.045 0.000 1.302 859 Y CB 0.796 39.225 38.460 -0.052 0.000 1.314 859 Y HN 0.385 nan 8.280 nan 0.000 0.509 860 M N 1.420 121.082 119.600 0.103 0.000 2.414 860 M HA 0.296 4.779 4.480 0.005 0.000 0.287 860 M C -2.372 173.951 176.300 0.038 0.000 1.181 860 M CA -0.241 55.062 55.300 0.005 0.000 0.933 860 M CB 2.577 35.190 32.600 0.022 0.000 1.732 860 M HN 0.872 nan 8.290 nan 0.000 0.486 861 D N 1.392 121.788 120.400 -0.005 0.000 2.639 861 D HA 0.570 5.213 4.640 0.005 0.000 0.271 861 D C -1.755 174.681 176.300 0.225 0.000 1.254 861 D CA -0.012 54.069 54.000 0.133 0.000 0.810 861 D CB 2.472 43.395 40.800 0.205 0.000 1.351 861 D HN 0.678 nan 8.370 nan 0.000 0.427 862 Q N -0.248 119.708 119.800 0.260 0.000 2.685 862 Q HA 0.327 4.670 4.340 0.005 0.000 0.301 862 Q C -1.426 174.588 176.000 0.023 0.000 0.924 862 Q CA -0.702 55.234 55.803 0.222 0.000 0.755 862 Q CB 2.474 31.351 28.738 0.231 0.000 1.470 862 Q HN 0.198 nan 8.270 nan 0.000 0.434 863 E N 2.019 122.194 120.200 -0.042 0.000 2.145 863 E HA 0.204 4.557 4.350 0.005 0.000 0.262 863 E C -0.573 175.997 176.600 -0.050 0.000 0.883 863 E CA -0.389 55.927 56.400 -0.141 0.000 0.748 863 E CB 1.787 31.348 29.700 -0.232 0.000 1.140 863 E HN 0.648 nan 8.360 nan 0.000 0.417 864 K N 3.855 124.236 120.400 -0.031 0.000 2.363 864 K HA -0.400 3.922 4.320 0.005 0.000 0.105 864 K C 0.671 177.278 176.600 0.012 0.000 1.284 864 K CA 2.411 58.700 56.287 0.003 0.000 0.668 864 K CB -0.287 32.216 32.500 0.006 0.000 0.473 864 K HN 0.644 nan 8.250 nan 0.000 1.047 865 K N -2.407 118.009 120.400 0.026 0.000 2.999 865 K HA -0.020 4.303 4.320 0.005 0.000 0.295 865 K C -0.256 176.378 176.600 0.057 0.000 2.894 865 K CA -0.005 56.287 56.287 0.007 0.000 1.567 865 K CB -0.033 32.460 32.500 -0.012 0.000 3.115 865 K HN 0.543 nan 8.250 nan 0.000 0.312 866 Y N 1.946 122.252 120.300 0.011 0.000 2.539 866 Y HA 0.459 5.012 4.550 0.005 0.000 0.352 866 Y C 0.257 176.162 175.900 0.008 0.000 1.004 866 Y CA 0.137 58.244 58.100 0.011 0.000 1.278 866 Y CB 1.082 39.550 38.460 0.014 0.000 1.136 866 Y HN 0.561 nan 8.280 nan 0.000 0.528 867 G N 3.973 112.910 108.800 0.229 0.000 2.752 867 G HA2 0.340 4.303 3.960 0.005 0.000 0.298 867 G HA3 0.340 4.303 3.960 0.005 0.000 0.298 867 G C -0.721 174.226 174.900 0.079 0.000 1.434 867 G CA -0.686 44.476 45.100 0.103 0.000 1.004 867 G HN 0.653 nan 8.290 nan 0.000 0.560 868 M N 0.971 120.595 119.600 0.041 0.000 2.292 868 M HA 0.195 4.678 4.480 0.005 0.000 0.286 868 M C 1.493 177.806 176.300 0.021 0.000 1.002 868 M CA 0.514 55.834 55.300 0.032 0.000 1.029 868 M CB 1.016 33.626 32.600 0.017 0.000 1.537 868 M HN 0.561 nan 8.290 nan 0.000 0.543 869 S N -1.259 114.452 115.700 0.018 0.000 2.820 869 S HA 0.441 4.914 4.470 0.005 0.000 0.265 869 S C 0.208 174.815 174.600 0.012 0.000 1.043 869 S CA -0.512 57.696 58.200 0.013 0.000 1.245 869 S CB 0.514 63.719 63.200 0.008 0.000 1.187 869 S HN 0.221 nan 8.310 nan 0.000 0.673 870 I N 2.522 123.102 120.570 0.016 0.000 2.503 870 I HA 0.410 4.583 4.170 0.005 0.000 0.282 870 I C -1.289 174.836 176.117 0.014 0.000 1.059 870 I CA 0.116 61.424 61.300 0.013 0.000 1.081 870 I CB 2.127 40.136 38.000 0.014 0.000 1.210 870 I HN 0.005 nan 8.210 nan 0.000 0.450 871 T N 3.721 118.276 114.554 0.003 0.000 2.881 871 T HA 0.365 4.718 4.350 0.005 0.000 0.290 871 T C -0.314 174.366 174.700 -0.034 0.000 1.000 871 T CA -0.729 61.365 62.100 -0.010 0.000 0.978 871 T CB 2.035 70.899 68.868 -0.006 0.000 0.997 871 T HN 0.386 nan 8.240 nan 0.000 0.443 872 E N 1.276 121.439 120.200 -0.061 0.000 2.425 872 E HA 0.447 4.800 4.350 0.005 0.000 0.258 872 E C -0.342 176.165 176.600 -0.156 0.000 1.151 872 E CA 0.172 56.508 56.400 -0.106 0.000 0.958 872 E CB 0.554 30.167 29.700 -0.146 0.000 0.968 872 E HN 0.633 nan 8.360 nan 0.000 0.451 873 T N 1.115 115.561 114.554 -0.179 0.000 2.982 873 T HA 0.314 4.667 4.350 0.005 0.000 0.321 873 T C -1.068 173.562 174.700 -0.117 0.000 1.229 873 T CA -0.678 61.326 62.100 -0.160 0.000 1.044 873 T CB 0.430 69.272 68.868 -0.043 0.000 1.184 873 T HN 0.259 nan 8.240 nan 0.000 0.477 874 F N 2.740 122.709 119.950 0.031 0.000 2.404 874 F HA 0.515 5.045 4.527 0.005 0.000 0.358 874 F C 0.909 176.724 175.800 0.025 0.000 1.120 874 F CA -0.462 57.556 58.000 0.030 0.000 1.144 874 F CB 0.774 39.789 39.000 0.026 0.000 1.133 874 F HN 0.640 nan 8.300 nan 0.000 0.495 875 E N 1.896 122.242 120.200 0.242 0.000 2.388 875 E HA 0.153 4.506 4.350 0.005 0.000 0.281 875 E C -1.483 175.179 176.600 0.103 0.000 1.046 875 E CA -1.298 55.180 56.400 0.130 0.000 0.825 875 E CB 1.322 31.073 29.700 0.085 0.000 1.243 875 E HN 0.305 nan 8.360 nan 0.000 0.438 876 K N 3.033 123.473 120.400 0.067 0.000 2.110 876 K HA 0.167 4.489 4.320 0.005 0.000 0.260 876 K C -1.851 174.742 176.600 -0.012 0.000 1.126 876 K CA -1.251 55.069 56.287 0.056 0.000 1.005 876 K CB 0.072 32.601 32.500 0.048 0.000 1.336 876 K HN 0.387 nan 8.250 nan 0.000 0.369 877 P HA 0.055 nan 4.420 nan 0.000 0.293 877 P C -1.395 175.789 177.300 -0.194 0.000 1.298 877 P CA -0.168 62.865 63.100 -0.110 0.000 0.757 877 P CB 0.466 32.100 31.700 -0.109 0.000 1.262 878 Q N -2.794 116.908 119.800 -0.163 0.000 2.844 878 Q HA 0.254 4.597 4.340 0.005 0.000 0.230 878 Q C -0.131 175.810 176.000 -0.098 0.000 1.005 878 Q CA -1.196 54.514 55.803 -0.154 0.000 1.020 878 Q CB 0.708 29.379 28.738 -0.112 0.000 1.920 878 Q HN 0.323 nan 8.270 nan 0.000 0.488 879 R N 0.998 121.443 120.500 -0.091 0.000 3.391 879 R HA -0.302 4.040 4.340 0.005 0.000 0.621 879 R C -0.007 176.266 176.300 -0.045 0.000 0.241 879 R CA 2.026 58.091 56.100 -0.058 0.000 1.909 879 R CB -2.784 27.490 30.300 -0.044 0.000 0.804 879 R HN 1.623 nan 8.270 nan 0.000 0.642 880 T N 0.370 114.904 114.554 -0.032 0.000 4.478 880 T HA -0.146 4.206 4.350 0.005 0.000 0.326 880 T C 0.332 175.022 174.700 -0.016 0.000 0.792 880 T CA 1.030 63.117 62.100 -0.022 0.000 2.004 880 T CB -1.404 67.451 68.868 -0.021 0.000 1.915 880 T HN 0.680 nan 8.240 nan 0.000 0.958 881 N N -2.206 116.484 118.700 -0.016 0.000 2.928 881 N HA -0.162 4.581 4.740 0.005 0.000 0.186 881 N C 1.156 176.660 175.510 -0.010 0.000 1.280 881 N CA 1.970 55.014 53.050 -0.011 0.000 1.285 881 N CB -1.714 36.768 38.487 -0.007 0.000 0.961 881 N HN 0.563 nan 8.380 nan 0.000 0.549 882 T N 1.671 116.218 114.554 -0.011 0.000 2.976 882 T HA 0.201 4.554 4.350 0.005 0.000 0.257 882 T C 0.835 175.529 174.700 -0.009 0.000 1.051 882 T CA 0.748 62.843 62.100 -0.007 0.000 1.141 882 T CB -0.127 68.739 68.868 -0.004 0.000 0.881 882 T HN 0.399 nan 8.240 nan 0.000 0.461 883 L N 1.260 122.472 121.223 -0.018 0.000 4.146 883 L HA -0.212 4.130 4.340 0.005 0.000 0.476 883 L C -0.055 176.807 176.870 -0.014 0.000 1.127 883 L CA 0.457 55.283 54.840 -0.023 0.000 0.669 883 L CB -1.740 40.304 42.059 -0.025 0.000 1.517 883 L HN 0.117 nan 8.230 nan 0.000 0.782 884 R N 1.991 122.489 120.500 -0.004 0.000 2.443 884 R HA 0.595 4.938 4.340 0.005 0.000 0.287 884 R C -0.322 175.999 176.300 0.034 0.000 1.425 884 R CA -0.418 55.689 56.100 0.012 0.000 1.300 884 R CB 0.924 31.237 30.300 0.021 0.000 1.129 884 R HN 0.323 nan 8.270 nan 0.000 0.577 885 M N 1.117 120.738 119.600 0.035 0.000 2.664 885 M HA 0.475 4.958 4.480 0.005 0.000 0.314 885 M C -0.057 176.342 176.300 0.165 0.000 1.200 885 M CA -1.353 54.007 55.300 0.101 0.000 0.916 885 M CB 1.548 34.152 32.600 0.007 0.000 1.717 885 M HN -0.076 nan 8.290 nan 0.000 0.470 886 K N 0.917 121.509 120.400 0.320 0.000 2.276 886 K HA 0.118 4.441 4.320 0.005 0.000 0.259 886 K C 1.316 178.051 176.600 0.225 0.000 1.001 886 K CA 0.247 56.680 56.287 0.242 0.000 0.927 886 K CB 0.185 32.757 32.500 0.121 0.000 0.969 886 K HN 0.511 nan 8.250 nan 0.000 0.490 887 H N 0.230 119.338 119.070 0.064 0.000 2.352 887 H HA -0.093 4.464 4.556 0.002 0.000 0.299 887 H C 1.124 176.480 175.328 0.046 0.000 1.097 887 H CA 1.124 57.202 56.048 0.050 0.000 1.311 887 H CB 0.176 29.951 29.762 0.023 0.000 1.377 887 H HN 0.669 nan 8.280 nan 0.000 0.504 888 G N 0.219 109.090 108.800 0.118 0.000 2.486 888 G HA2 0.078 4.041 3.960 0.005 0.000 0.272 888 G HA3 0.078 4.041 3.960 0.005 0.000 0.272 888 G C -0.316 174.596 174.900 0.020 0.000 1.426 888 G CA -0.377 44.734 45.100 0.019 0.000 1.058 888 G HN 0.131 nan 8.290 nan 0.000 0.531 889 T N 0.024 114.556 114.554 -0.036 0.000 2.771 889 T HA 0.292 4.645 4.350 0.005 0.000 0.291 889 T C 0.149 174.816 174.700 -0.055 0.000 0.954 889 T CA -0.010 62.099 62.100 0.015 0.000 1.045 889 T CB 1.217 70.085 68.868 0.001 0.000 0.917 889 T HN 0.372 nan 8.240 nan 0.000 0.484 890 Y N 0.894 121.192 120.300 -0.003 0.000 2.436 890 Y HA 0.040 4.590 4.550 0.000 0.000 0.288 890 Y C 2.189 178.079 175.900 -0.016 0.000 1.112 890 Y CA 0.171 58.266 58.100 -0.009 0.000 1.220 890 Y CB 0.119 38.578 38.460 -0.002 0.000 1.073 890 Y HN 0.605 nan 8.280 nan 0.000 0.552 891 D N 0.507 120.985 120.400 0.130 0.000 2.362 891 D HA -0.191 4.452 4.640 0.005 0.000 0.215 891 D C 1.468 177.788 176.300 0.032 0.000 0.978 891 D CA 1.107 55.149 54.000 0.070 0.000 0.921 891 D CB -0.060 40.769 40.800 0.048 0.000 0.895 891 D HN 0.310 nan 8.370 nan 0.000 0.494 892 K N -0.213 120.194 120.400 0.011 0.000 2.439 892 K HA 0.073 4.396 4.320 0.005 0.000 0.197 892 K C 0.813 177.402 176.600 -0.018 0.000 1.041 892 K CA 0.142 56.418 56.287 -0.017 0.000 0.970 892 K CB 0.210 32.682 32.500 -0.047 0.000 0.773 892 K HN 0.124 nan 8.250 nan 0.000 0.479 893 L N 0.940 122.167 121.223 0.006 0.000 2.418 893 L HA 0.082 4.425 4.340 0.005 0.000 0.265 893 L C 0.639 177.514 176.870 0.009 0.000 1.143 893 L CA -0.589 54.253 54.840 0.004 0.000 0.809 893 L CB 0.859 42.942 42.059 0.040 0.000 1.124 893 L HN 0.105 nan 8.230 nan 0.000 0.456 894 D N 0.173 120.571 120.400 -0.004 0.000 2.432 894 D HA 0.020 4.662 4.640 0.005 0.000 0.270 894 D C 0.505 176.810 176.300 0.009 0.000 1.256 894 D CA 0.155 54.154 54.000 -0.001 0.000 1.022 894 D CB 0.363 41.157 40.800 -0.011 0.000 0.916 894 D HN 0.518 nan 8.370 nan 0.000 0.253 895 D N -0.839 119.566 120.400 0.007 0.000 2.461 895 D HA -0.044 4.599 4.640 0.005 0.000 0.266 895 D C 1.055 177.370 176.300 0.026 0.000 1.085 895 D CA 0.257 54.268 54.000 0.017 0.000 0.887 895 D CB 0.611 41.420 40.800 0.015 0.000 1.309 895 D HN 0.167 nan 8.370 nan 0.000 0.498 896 D N -0.183 120.225 120.400 0.013 0.000 2.310 896 D HA 0.043 4.686 4.640 0.005 0.000 0.212 896 D C 1.542 177.847 176.300 0.008 0.000 0.965 896 D CA 1.386 55.397 54.000 0.018 0.000 0.879 896 D CB -0.098 40.699 40.800 -0.005 0.000 0.921 896 D HN 0.278 nan 8.370 nan 0.000 0.510 897 G N -0.839 107.954 108.800 -0.011 0.000 2.201 897 G HA2 -0.186 3.776 3.960 0.005 0.000 0.212 897 G HA3 -0.186 3.776 3.960 0.005 0.000 0.212 897 G C 0.025 174.856 174.900 -0.115 0.000 0.994 897 G CA 0.107 45.192 45.100 -0.024 0.000 0.644 897 G HN 0.358 nan 8.290 nan 0.000 0.508 898 L N 1.001 122.142 121.223 -0.137 0.000 2.332 898 L HA 0.724 5.067 4.340 0.005 0.000 0.269 898 L C 1.010 177.819 176.870 -0.103 0.000 1.016 898 L CA -1.446 53.298 54.840 -0.159 0.000 0.809 898 L CB 1.184 43.131 42.059 -0.186 0.000 1.280 898 L HN 0.074 nan 8.230 nan 0.000 0.447 899 I N 0.504 121.007 120.570 -0.112 0.000 2.823 899 I HA 0.390 4.563 4.170 0.005 0.000 0.290 899 I C 0.605 176.675 176.117 -0.078 0.000 1.091 899 I CA -0.170 61.077 61.300 -0.089 0.000 1.365 899 I CB 0.671 38.608 38.000 -0.105 0.000 1.427 899 I HN 0.610 nan 8.210 nan 0.000 0.583 900 A N 4.600 127.384 122.820 -0.060 0.000 2.302 900 A HA 0.507 4.830 4.320 0.005 0.000 0.285 900 A C -1.710 175.842 177.584 -0.054 0.000 1.105 900 A CA -1.344 50.663 52.037 -0.051 0.000 0.816 900 A CB 0.026 19.004 19.000 -0.037 0.000 1.067 900 A HN 0.598 nan 8.150 nan 0.000 0.489 901 P HA -0.197 nan 4.420 nan 0.000 0.214 901 P C 1.769 179.044 177.300 -0.042 0.000 1.169 901 P CA 2.327 65.401 63.100 -0.043 0.000 0.908 901 P CB 0.000 31.681 31.700 -0.032 0.000 0.791 902 G N -0.340 108.440 108.800 -0.034 0.000 2.545 902 G HA2 -0.236 3.727 3.960 0.005 0.000 0.222 902 G HA3 -0.236 3.727 3.960 0.005 0.000 0.222 902 G C 0.445 175.324 174.900 -0.036 0.000 1.126 902 G CA 0.735 45.816 45.100 -0.031 0.000 0.754 902 G HN 0.238 nan 8.290 nan 0.000 0.583 903 V N 0.674 120.563 119.914 -0.042 0.000 2.740 903 V HA 0.206 4.329 4.120 0.005 0.000 0.303 903 V C 0.867 176.931 176.094 -0.050 0.000 1.054 903 V CA -0.353 61.920 62.300 -0.043 0.000 1.106 903 V CB 0.981 32.775 31.823 -0.048 0.000 0.957 903 V HN 0.271 nan 8.190 nan 0.000 0.486 904 R N 2.182 122.657 120.500 -0.042 0.000 2.441 904 R HA 0.635 4.978 4.340 0.005 0.000 0.284 904 R C -0.693 175.577 176.300 -0.051 0.000 1.070 904 R CA -0.322 55.753 56.100 -0.043 0.000 1.047 904 R CB 1.449 31.731 30.300 -0.030 0.000 1.016 904 R HN 0.726 nan 8.270 nan 0.000 0.477 905 V N -0.893 118.987 119.914 -0.057 0.000 3.040 905 V HA 0.841 4.964 4.120 0.005 0.000 0.312 905 V C -0.595 175.470 176.094 -0.049 0.000 1.115 905 V CA -0.878 61.381 62.300 -0.068 0.000 0.998 905 V CB 2.071 33.831 31.823 -0.106 0.000 1.042 905 V HN 0.986 nan 8.190 nan 0.000 0.433 906 S N -0.424 115.248 115.700 -0.048 0.000 2.688 906 S HA 0.814 5.287 4.470 0.005 0.000 0.269 906 S C 0.198 174.779 174.600 -0.031 0.000 1.060 906 S CA 0.196 58.379 58.200 -0.028 0.000 0.844 906 S CB 0.563 63.755 63.200 -0.012 0.000 1.095 906 S HN 2.749 nan 8.310 nan 0.000 0.466 907 G N 1.412 110.201 108.800 -0.018 0.000 2.566 907 G HA2 -0.257 3.706 3.960 0.005 0.000 0.280 907 G HA3 -0.257 3.706 3.960 0.005 0.000 0.280 907 G C -0.143 174.735 174.900 -0.036 0.000 1.225 907 G CA 0.535 45.622 45.100 -0.021 0.000 0.966 907 G HN 1.090 nan 8.290 nan 0.000 0.560 908 E N 1.487 121.661 120.200 -0.043 0.000 2.304 908 E HA 0.254 4.607 4.350 0.005 0.000 0.212 908 E C -0.636 175.901 176.600 -0.105 0.000 1.185 908 E CA -0.167 56.196 56.400 -0.063 0.000 1.326 908 E CB 0.008 29.683 29.700 -0.043 0.000 1.283 908 E HN 0.369 nan 8.360 nan 0.000 0.440 909 D N 1.208 121.542 120.400 -0.110 0.000 2.434 909 D HA -0.016 4.627 4.640 0.005 0.000 0.252 909 D C -0.033 176.139 176.300 -0.214 0.000 1.185 909 D CA 0.168 54.081 54.000 -0.145 0.000 0.886 909 D CB 0.876 41.604 40.800 -0.120 0.000 1.148 909 D HN -0.097 nan 8.370 nan 0.000 0.483 910 V N 3.830 123.556 119.914 -0.314 0.000 2.740 910 V HA 0.053 4.176 4.120 0.005 0.000 0.303 910 V C 1.565 177.512 176.094 -0.245 0.000 1.054 910 V CA 0.263 62.336 62.300 -0.379 0.000 1.106 910 V CB 1.187 32.533 31.823 -0.794 0.000 0.957 910 V HN 0.575 nan 8.190 nan 0.000 0.486 911 I N 3.275 123.713 120.570 -0.220 0.000 4.624 911 I HA 0.374 4.547 4.170 0.005 0.000 0.327 911 I C -0.142 175.865 176.117 -0.184 0.000 1.295 911 I CA 0.468 61.634 61.300 -0.223 0.000 1.267 911 I CB 0.821 38.613 38.000 -0.347 0.000 1.249 911 I HN 0.434 nan 8.210 nan 0.000 0.440 912 I N 0.451 120.939 120.570 -0.137 0.000 2.611 912 I HA 0.322 4.495 4.170 0.005 0.000 0.287 912 I C -0.200 175.919 176.117 0.005 0.000 1.184 912 I CA -0.461 60.767 61.300 -0.119 0.000 1.054 912 I CB 1.815 39.736 38.000 -0.132 0.000 1.257 912 I HN -0.101 nan 8.210 nan 0.000 0.435 913 G N 5.048 113.891 108.800 0.072 0.000 2.412 913 G HA2 0.848 4.811 3.960 0.005 0.000 0.318 913 G HA3 0.848 4.811 3.960 0.005 0.000 0.318 913 G C -1.127 173.956 174.900 0.304 0.000 1.146 913 G CA -0.386 44.842 45.100 0.215 0.000 0.882 913 G HN 0.666 nan 8.290 nan 0.000 0.501 914 K N -1.070 119.500 120.400 0.283 0.000 2.610 914 K HA 0.617 4.940 4.320 0.005 0.000 0.278 914 K C -1.265 175.410 176.600 0.125 0.000 0.964 914 K CA -0.935 55.508 56.287 0.259 0.000 0.859 914 K CB 1.491 34.161 32.500 0.283 0.000 1.434 914 K HN 0.611 nan 8.250 nan 0.000 0.410 915 T N -1.367 113.222 114.554 0.060 0.000 2.841 915 T HA 0.305 4.658 4.350 0.005 0.000 0.283 915 T C -0.567 174.135 174.700 0.003 0.000 1.000 915 T CA -0.737 61.383 62.100 0.032 0.000 0.977 915 T CB 1.638 70.519 68.868 0.022 0.000 0.979 915 T HN 0.546 nan 8.240 nan 0.000 0.446 916 T N 4.893 119.454 114.554 0.012 0.000 2.910 916 T HA 0.428 4.781 4.350 0.005 0.000 0.323 916 T C -2.609 172.094 174.700 0.006 0.000 1.091 916 T CA -1.970 60.133 62.100 0.004 0.000 0.960 916 T CB -0.100 68.776 68.868 0.012 0.000 1.024 916 T HN 0.455 nan 8.240 nan 0.000 0.509 917 P HA 0.313 nan 4.420 nan 0.000 0.279 917 P C -0.738 176.565 177.300 0.005 0.000 1.318 917 P CA -0.435 62.666 63.100 0.002 0.000 0.819 917 P CB 0.268 31.968 31.700 -0.000 0.000 0.927 918 I N 2.088 122.662 120.570 0.006 0.000 2.474 918 I HA 0.296 4.469 4.170 0.005 0.000 0.294 918 I C 0.845 176.966 176.117 0.006 0.000 1.005 918 I CA -0.403 60.901 61.300 0.007 0.000 1.113 918 I CB 2.003 40.009 38.000 0.010 0.000 1.289 918 I HN 0.280 nan 8.210 nan 0.000 0.436 934 K N 2.301 122.699 120.400 -0.003 0.000 2.347 934 K HA 0.483 4.806 4.320 0.005 0.000 0.262 934 K C -0.616 175.985 176.600 0.002 0.000 1.052 934 K CA -0.334 55.952 56.287 -0.000 0.000 0.946 934 K CB 1.242 33.740 32.500 -0.003 0.000 1.220 934 K HN 0.204 nan 8.250 nan 0.000 0.450 935 R N 1.710 122.215 120.500 0.009 0.000 2.490 935 R HA 0.026 4.369 4.340 0.005 0.000 0.280 935 R C -0.163 176.154 176.300 0.030 0.000 1.077 935 R CA -0.254 55.856 56.100 0.017 0.000 1.065 935 R CB 0.532 30.843 30.300 0.020 0.000 1.003 935 R HN 0.603 nan 8.270 nan 0.000 0.470 936 D N 0.561 120.986 120.400 0.041 0.000 2.304 936 D HA 0.266 4.908 4.640 0.005 0.000 0.247 936 D C -0.300 176.053 176.300 0.088 0.000 1.089 936 D CA -0.204 53.840 54.000 0.073 0.000 0.910 936 D CB 1.076 41.934 40.800 0.097 0.000 1.199 936 D HN 0.532 nan 8.370 nan 0.000 0.426 937 A N 2.098 124.984 122.820 0.110 0.000 2.543 937 A HA 0.291 4.614 4.320 0.005 0.000 0.279 937 A C 0.234 177.897 177.584 0.131 0.000 0.917 937 A CA -0.277 51.824 52.037 0.106 0.000 1.036 937 A CB -0.532 18.517 19.000 0.082 0.000 1.227 937 A HN 0.522 nan 8.150 nan 0.000 0.503 938 S N -0.245 115.551 115.700 0.160 0.000 2.600 938 S HA 0.532 5.005 4.470 0.005 0.000 0.265 938 S C 0.097 174.742 174.600 0.075 0.000 1.325 938 S CA 0.059 58.345 58.200 0.144 0.000 1.002 938 S CB 0.756 64.075 63.200 0.198 0.000 0.921 938 S HN 0.252 nan 8.310 nan 0.000 0.554 939 T N 3.257 117.830 114.554 0.032 0.000 2.842 939 T HA 0.500 4.853 4.350 0.005 0.000 0.308 939 T C -2.777 171.890 174.700 -0.055 0.000 1.041 939 T CA -1.102 61.012 62.100 0.022 0.000 0.964 939 T CB 1.150 70.060 68.868 0.070 0.000 0.972 939 T HN 0.467 nan 8.240 nan 0.000 0.460 940 P HA 0.120 nan 4.420 nan 0.000 0.271 940 P C 0.207 177.463 177.300 -0.074 0.000 1.218 940 P CA -0.852 62.190 63.100 -0.097 0.000 0.780 940 P CB 0.535 32.197 31.700 -0.063 0.000 0.901 941 L N 3.440 124.562 121.223 -0.169 0.000 2.506 941 L HA 0.029 4.372 4.340 0.005 0.000 0.281 941 L C 0.775 177.679 176.870 0.057 0.000 1.228 941 L CA 0.319 55.057 54.840 -0.171 0.000 0.850 941 L CB 0.062 42.007 42.059 -0.189 0.000 1.110 941 L HN 0.477 nan 8.230 nan 0.000 0.496 942 R N 2.384 123.024 120.500 0.234 0.000 2.644 942 R HA -0.112 4.231 4.340 0.005 0.000 0.265 942 R C 1.515 177.855 176.300 0.067 0.000 0.985 942 R CA 0.760 56.956 56.100 0.159 0.000 1.097 942 R CB 0.011 30.411 30.300 0.165 0.000 0.931 942 R HN 0.818 nan 8.270 nan 0.000 0.419 943 S N 0.580 116.298 115.700 0.030 0.000 2.474 943 S HA -0.102 4.371 4.470 0.005 0.000 0.235 943 S C 1.042 175.645 174.600 0.005 0.000 0.997 943 S CA 1.473 59.672 58.200 -0.001 0.000 0.949 943 S CB 0.107 63.292 63.200 -0.025 0.000 0.766 943 S HN 0.676 nan 8.310 nan 0.000 0.517 944 T N -0.273 114.293 114.554 0.020 0.000 3.010 944 T HA 0.341 4.693 4.350 0.005 0.000 0.257 944 T C 0.420 175.142 174.700 0.038 0.000 1.020 944 T CA -0.330 61.782 62.100 0.021 0.000 0.938 944 T CB 0.406 69.281 68.868 0.011 0.000 1.049 944 T HN 0.438 nan 8.240 nan 0.000 0.522 945 E N 2.313 122.551 120.200 0.064 0.000 2.330 945 E HA 0.483 4.836 4.350 0.005 0.000 0.256 945 E C -0.375 176.262 176.600 0.062 0.000 1.146 945 E CA -0.777 55.679 56.400 0.094 0.000 0.945 945 E CB 0.599 30.402 29.700 0.172 0.000 1.182 945 E HN 0.377 nan 8.360 nan 0.000 0.480 946 N N -0.332 118.412 118.700 0.074 0.000 3.134 946 N HA 0.379 5.122 4.740 0.005 0.000 0.235 946 N C -0.846 174.686 175.510 0.036 0.000 1.092 946 N CA -0.164 52.908 53.050 0.036 0.000 1.038 946 N CB 1.196 39.698 38.487 0.026 0.000 1.684 946 N HN 0.654 nan 8.380 nan 0.000 0.551 947 G N 0.447 109.246 108.800 -0.002 0.000 2.344 947 G HA2 0.355 4.318 3.960 0.005 0.000 0.282 947 G HA3 0.355 4.318 3.960 0.005 0.000 0.282 947 G C -1.994 172.875 174.900 -0.050 0.000 1.281 947 G CA -0.737 44.350 45.100 -0.022 0.000 0.877 947 G HN 0.571 nan 8.290 nan 0.000 0.494 948 I N 0.766 121.293 120.570 -0.072 0.000 2.433 948 I HA 0.450 4.623 4.170 0.005 0.000 0.292 948 I C 0.435 176.495 176.117 -0.095 0.000 1.001 948 I CA -1.066 60.188 61.300 -0.076 0.000 1.119 948 I CB 2.039 39.997 38.000 -0.070 0.000 1.289 948 I HN 0.320 nan 8.210 nan 0.000 0.438 949 V N 5.193 125.056 119.914 -0.084 0.000 2.673 949 V HA -0.038 4.085 4.120 0.005 0.000 0.303 949 V C 0.719 176.776 176.094 -0.063 0.000 1.046 949 V CA 0.392 62.643 62.300 -0.081 0.000 1.126 949 V CB 0.793 32.566 31.823 -0.084 0.000 0.934 949 V HN 0.884 nan 8.190 nan 0.000 0.487 950 D N 2.092 122.467 120.400 -0.042 0.000 3.012 950 D HA 0.103 4.746 4.640 0.005 0.000 0.284 950 D C 0.502 176.808 176.300 0.009 0.000 1.259 950 D CA 0.383 54.378 54.000 -0.008 0.000 1.036 950 D CB 0.998 41.824 40.800 0.044 0.000 1.167 950 D HN 0.657 nan 8.370 nan 0.000 0.429 951 Q N -0.199 119.614 119.800 0.022 0.000 2.433 951 Q HA 0.569 4.912 4.340 0.005 0.000 0.279 951 Q C -1.578 174.414 176.000 -0.013 0.000 1.105 951 Q CA -0.793 55.016 55.803 0.009 0.000 0.815 951 Q CB 3.300 32.054 28.738 0.028 0.000 1.403 951 Q HN -0.067 nan 8.270 nan 0.000 0.435 952 V N 2.571 122.468 119.914 -0.028 0.000 2.524 952 V HA 0.377 4.500 4.120 0.005 0.000 0.297 952 V C -1.141 174.922 176.094 -0.052 0.000 1.035 952 V CA -0.685 61.583 62.300 -0.053 0.000 0.867 952 V CB 1.532 33.310 31.823 -0.076 0.000 1.004 952 V HN 0.637 nan 8.190 nan 0.000 0.426 953 L N 5.860 127.045 121.223 -0.064 0.000 2.289 953 L HA 0.708 5.051 4.340 0.005 0.000 0.285 953 L C -0.480 176.347 176.870 -0.073 0.000 1.049 953 L CA 0.025 54.837 54.840 -0.048 0.000 0.804 953 L CB 1.573 43.611 42.059 -0.035 0.000 1.195 953 L HN 0.530 nan 8.230 nan 0.000 0.428 954 V N 3.991 123.897 119.914 -0.015 0.000 2.380 954 V HA 0.628 4.750 4.120 0.005 0.000 0.286 954 V C -0.117 176.037 176.094 0.100 0.000 1.015 954 V CA -0.389 61.919 62.300 0.014 0.000 0.834 954 V CB 1.054 32.881 31.823 0.007 0.000 1.009 954 V HN 0.892 nan 8.190 nan 0.000 0.428 955 T N 1.813 116.489 114.554 0.203 0.000 2.669 955 T HA 0.586 4.939 4.350 0.005 0.000 0.283 955 T C -0.413 174.472 174.700 0.309 0.000 1.019 955 T CA -0.551 61.711 62.100 0.270 0.000 1.039 955 T CB 2.238 71.309 68.868 0.339 0.000 1.374 955 T HN 0.610 nan 8.240 nan 0.000 0.523 956 T N 0.552 115.226 114.554 0.199 0.000 2.912 956 T HA 0.574 4.926 4.350 0.005 0.000 0.288 956 T C -0.781 173.905 174.700 -0.024 0.000 1.030 956 T CA -0.711 61.462 62.100 0.121 0.000 1.020 956 T CB 1.121 70.034 68.868 0.076 0.000 1.056 956 T HN 0.602 nan 8.240 nan 0.000 0.480 957 N N 1.988 120.633 118.700 -0.091 0.000 2.492 957 N HA 0.286 5.029 4.740 0.005 0.000 0.289 957 N C 1.359 176.811 175.510 -0.096 0.000 1.133 957 N CA -0.461 52.470 53.050 -0.199 0.000 0.961 957 N CB 1.123 39.457 38.487 -0.255 0.000 1.186 957 N HN 0.711 nan 8.380 nan 0.000 0.493 958 Q N 0.267 120.011 119.800 -0.094 0.000 2.167 958 Q HA -0.303 4.040 4.340 0.005 0.000 0.218 958 Q C 0.099 176.073 176.000 -0.044 0.000 1.033 958 Q CA 2.050 57.822 55.803 -0.053 0.000 0.918 958 Q CB -0.143 28.567 28.738 -0.047 0.000 1.019 958 Q HN 0.671 nan 8.270 nan 0.000 0.417 959 D N -1.436 118.928 120.400 -0.061 0.000 2.355 959 D HA 0.027 4.670 4.640 0.005 0.000 0.253 959 D C 0.702 176.976 176.300 -0.042 0.000 1.187 959 D CA 0.943 54.904 54.000 -0.065 0.000 0.900 959 D CB -0.246 40.493 40.800 -0.101 0.000 0.915 959 D HN 0.555 nan 8.370 nan 0.000 0.516 960 G N 0.557 109.344 108.800 -0.021 0.000 2.162 960 G HA2 -0.312 3.651 3.960 0.005 0.000 0.260 960 G HA3 -0.312 3.651 3.960 0.005 0.000 0.260 960 G C 0.460 175.370 174.900 0.016 0.000 0.976 960 G CA 0.013 45.114 45.100 0.002 0.000 0.655 960 G HN 0.370 nan 8.290 nan 0.000 0.533 961 L N 0.301 121.531 121.223 0.011 0.000 2.426 961 L HA 0.329 4.672 4.340 0.005 0.000 0.271 961 L C 1.110 178.046 176.870 0.110 0.000 1.169 961 L CA -0.091 54.774 54.840 0.042 0.000 0.836 961 L CB 0.778 42.856 42.059 0.032 0.000 1.112 961 L HN 0.092 nan 8.230 nan 0.000 0.465 962 K N 3.145 123.619 120.400 0.123 0.000 2.297 962 K HA 0.363 4.686 4.320 0.005 0.000 0.286 962 K C -1.184 175.624 176.600 0.347 0.000 1.053 962 K CA -0.284 56.130 56.287 0.212 0.000 0.940 962 K CB 0.644 33.238 32.500 0.156 0.000 1.019 962 K HN 0.386 nan 8.250 nan 0.000 0.475 963 F N 3.752 123.827 119.950 0.208 0.000 2.591 963 F HA 0.509 5.040 4.527 0.006 0.000 0.309 963 F C -1.834 174.070 175.800 0.173 0.000 1.098 963 F CA -0.695 57.417 58.000 0.187 0.000 0.937 963 F CB 1.375 40.439 39.000 0.106 0.000 1.250 963 F HN 0.179 nan 8.300 nan 0.000 0.447 964 V N 4.482 124.040 119.914 -0.594 0.000 2.971 964 V HA 0.504 4.627 4.120 0.005 0.000 0.309 964 V C -1.130 174.630 176.094 -0.557 0.000 1.130 964 V CA -1.068 60.950 62.300 -0.470 0.000 0.964 964 V CB 2.464 34.104 31.823 -0.305 0.000 1.029 964 V HN 0.727 nan 8.190 nan 0.000 0.427 965 K N 2.427 122.616 120.400 -0.352 0.000 2.895 965 K HA 0.464 4.787 4.320 0.005 0.000 0.191 965 K C -1.193 175.352 176.600 -0.092 0.000 1.117 965 K CA -0.269 55.894 56.287 -0.206 0.000 0.988 965 K CB 1.784 34.178 32.500 -0.176 0.000 1.181 965 K HN 0.466 nan 8.250 nan 0.000 0.598 966 V N 2.433 122.307 119.914 -0.066 0.000 2.555 966 V HA 0.221 4.344 4.120 0.005 0.000 0.286 966 V C 0.498 176.615 176.094 0.039 0.000 1.044 966 V CA -0.147 62.124 62.300 -0.048 0.000 1.026 966 V CB 0.919 32.673 31.823 -0.115 0.000 0.981 966 V HN 0.503 nan 8.190 nan 0.000 0.480 967 R N 3.396 123.911 120.500 0.025 0.000 2.540 967 R HA 0.773 5.116 4.340 0.005 0.000 0.287 967 R C -1.437 174.873 176.300 0.017 0.000 0.980 967 R CA -0.451 55.690 56.100 0.068 0.000 0.966 967 R CB 1.786 32.143 30.300 0.094 0.000 1.106 967 R HN 0.562 nan 8.270 nan 0.000 0.480 968 V N 3.392 123.313 119.914 0.011 0.000 2.789 968 V HA 0.567 4.689 4.120 0.005 0.000 0.311 968 V C -0.592 175.389 176.094 -0.190 0.000 1.073 968 V CA -0.983 61.271 62.300 -0.076 0.000 0.921 968 V CB 1.773 33.569 31.823 -0.045 0.000 1.009 968 V HN 0.731 nan 8.190 nan 0.000 0.426 969 R N 1.616 121.971 120.500 -0.241 0.000 2.534 969 R HA 0.749 5.092 4.340 0.005 0.000 0.301 969 R C -1.096 175.065 176.300 -0.232 0.000 0.961 969 R CA -0.183 55.671 56.100 -0.409 0.000 0.871 969 R CB 2.226 32.162 30.300 -0.607 0.000 1.170 969 R HN 0.903 nan 8.270 nan 0.000 0.446 970 T N 1.235 115.694 114.554 -0.158 0.000 2.932 970 T HA 0.326 4.679 4.350 0.005 0.000 0.289 970 T C -0.452 174.268 174.700 0.034 0.000 1.039 970 T CA -0.505 61.599 62.100 0.006 0.000 1.024 970 T CB 1.887 70.849 68.868 0.158 0.000 1.090 970 T HN 0.379 nan 8.240 nan 0.000 0.496 971 T N 2.243 116.841 114.554 0.074 0.000 2.795 971 T HA 0.393 4.746 4.350 0.005 0.000 0.282 971 T C -0.318 174.434 174.700 0.087 0.000 0.980 971 T CA -0.504 61.676 62.100 0.135 0.000 1.012 971 T CB 0.428 69.403 68.868 0.179 0.000 0.936 971 T HN 0.329 nan 8.240 nan 0.000 0.457 972 K N 4.374 124.824 120.400 0.084 0.000 2.389 972 K HA 0.443 4.766 4.320 0.005 0.000 0.261 972 K C -0.423 176.172 176.600 -0.008 0.000 1.014 972 K CA -0.458 55.846 56.287 0.030 0.000 0.920 972 K CB 0.730 33.236 32.500 0.010 0.000 1.149 972 K HN 0.557 nan 8.250 nan 0.000 0.444 973 I N 4.083 124.640 120.570 -0.021 0.000 2.472 973 I HA 0.223 4.396 4.170 0.005 0.000 0.290 973 I C -1.804 174.315 176.117 0.004 0.000 1.016 973 I CA -2.479 58.804 61.300 -0.028 0.000 1.348 973 I CB 0.649 38.627 38.000 -0.036 0.000 1.417 973 I HN 0.358 nan 8.210 nan 0.000 0.521 974 P HA -0.011 nan 4.420 nan 0.000 0.263 974 P C -0.592 176.758 177.300 0.083 0.000 1.345 974 P CA 0.170 63.331 63.100 0.102 0.000 1.119 974 P CB 0.350 32.216 31.700 0.278 0.000 1.363 975 Q N 2.318 122.138 119.800 0.034 0.000 2.272 975 Q HA 0.195 4.538 4.340 0.005 0.000 0.192 975 Q C 1.200 177.222 176.000 0.037 0.000 1.059 975 Q CA -0.678 55.140 55.803 0.025 0.000 1.084 975 Q CB 0.713 29.452 28.738 0.002 0.000 1.139 975 Q HN 0.171 nan 8.270 nan 0.000 0.593 976 I N 0.169 120.754 120.570 0.024 0.000 2.099 976 I HA -0.158 4.015 4.170 0.005 0.000 0.239 976 I C 1.513 177.652 176.117 0.037 0.000 1.066 976 I CA 2.342 63.659 61.300 0.028 0.000 1.324 976 I CB -0.292 37.718 38.000 0.016 0.000 1.037 976 I HN 0.800 nan 8.210 nan 0.000 0.401 977 G N -0.282 108.529 108.800 0.017 0.000 3.284 977 G HA2 0.024 3.987 3.960 0.005 0.000 0.236 977 G HA3 0.024 3.987 3.960 0.005 0.000 0.236 977 G C -0.121 174.773 174.900 -0.010 0.000 1.158 977 G CA -0.261 44.847 45.100 0.013 0.000 0.774 977 G HN 0.259 nan 8.290 nan 0.000 0.545 978 D N 1.054 121.434 120.400 -0.035 0.000 2.425 978 D HA 0.129 4.772 4.640 0.005 0.000 0.247 978 D C 0.585 176.762 176.300 -0.205 0.000 1.147 978 D CA 0.188 54.096 54.000 -0.153 0.000 0.879 978 D CB 1.426 42.062 40.800 -0.274 0.000 1.179 978 D HN 0.049 nan 8.370 nan 0.000 0.456 979 K N 2.196 122.480 120.400 -0.195 0.000 2.447 979 K HA 0.106 4.429 4.320 0.005 0.000 0.281 979 K C -0.899 175.519 176.600 -0.303 0.000 1.031 979 K CA 0.427 56.625 56.287 -0.148 0.000 1.019 979 K CB 0.076 32.530 32.500 -0.076 0.000 0.918 979 K HN 0.256 nan 8.250 nan 0.000 0.476 980 F N 2.468 122.376 119.950 -0.070 0.000 3.084 980 F HA 0.791 5.320 4.527 0.005 0.000 0.232 980 F C 0.142 175.907 175.800 -0.059 0.000 1.511 980 F CA 0.115 58.054 58.000 -0.102 0.000 0.942 980 F CB 0.997 39.935 39.000 -0.103 0.000 1.935 980 F HN 0.656 nan 8.300 nan 0.000 0.403 981 A N -0.340 122.647 122.820 0.279 0.000 2.581 981 A HA 0.410 4.732 4.320 0.005 0.000 0.321 981 A C -0.696 176.712 177.584 -0.293 0.000 0.850 981 A CA -0.304 51.753 52.037 0.033 0.000 0.549 981 A CB -0.960 18.036 19.000 -0.006 0.000 1.495 981 A HN 0.881 nan 8.150 nan 0.000 0.458 982 S N -0.106 115.286 115.700 -0.513 0.000 4.093 982 S HA 0.757 5.230 4.470 0.005 0.000 0.213 982 S C 0.636 175.061 174.600 -0.291 0.000 1.039 982 S CA 0.183 57.898 58.200 -0.807 0.000 1.687 982 S CB 0.582 63.310 63.200 -0.787 0.000 0.882 982 S HN 1.062 nan 8.310 nan 0.000 0.701 983 R N 0.435 120.794 120.500 -0.235 0.000 2.690 983 R HA 0.366 4.709 4.340 0.005 0.000 0.419 983 R C -1.186 174.516 176.300 -0.998 0.000 1.090 983 R CA -0.013 55.802 56.100 -0.475 0.000 1.064 983 R CB 0.103 30.141 30.300 -0.437 0.000 1.391 983 R HN 0.757 nan 8.270 nan 0.000 0.586 984 H N -2.334 116.764 119.070 0.046 0.000 3.385 984 H HA 0.223 4.782 4.556 0.005 0.000 0.205 984 H C 0.645 176.009 175.328 0.059 0.000 1.317 984 H CA -0.135 55.957 56.048 0.074 0.000 1.289 984 H CB 0.911 30.742 29.762 0.114 0.000 2.427 984 H HN 0.217 nan 8.280 nan 0.000 0.522 985 G N 0.885 109.749 108.800 0.107 0.000 2.166 985 G HA2 -0.377 3.586 3.960 0.005 0.000 0.260 985 G HA3 -0.377 3.586 3.960 0.005 0.000 0.260 985 G C 0.781 175.651 174.900 -0.051 0.000 0.986 985 G CA 0.226 45.351 45.100 0.042 0.000 0.683 985 G HN 0.367 nan 8.290 nan 0.000 0.527 986 Q N 0.842 120.637 119.800 -0.009 0.000 2.639 986 Q HA 0.155 4.498 4.340 0.005 0.000 0.301 986 Q C 1.263 177.241 176.000 -0.036 0.000 1.029 986 Q CA 0.251 56.025 55.803 -0.047 0.000 0.936 986 Q CB -0.392 28.302 28.738 -0.075 0.000 1.354 986 Q HN 0.843 nan 8.270 nan 0.000 0.417 987 K N -1.076 119.294 120.400 -0.050 0.000 2.451 987 K HA 0.392 4.714 4.320 0.005 0.000 0.280 987 K C 0.127 176.731 176.600 0.006 0.000 1.020 987 K CA 0.174 56.448 56.287 -0.022 0.000 1.008 987 K CB 0.622 33.087 32.500 -0.059 0.000 0.917 987 K HN 0.154 nan 8.250 nan 0.000 0.478 988 G N 1.293 110.133 108.800 0.068 0.000 2.698 988 G HA2 0.415 4.378 3.960 0.005 0.000 0.293 988 G HA3 0.415 4.378 3.960 0.005 0.000 0.293 988 G C -1.265 173.708 174.900 0.121 0.000 1.437 988 G CA -0.768 44.379 45.100 0.078 0.000 0.852 988 G HN 0.727 nan 8.290 nan 0.000 0.499 989 T N -0.796 113.810 114.554 0.087 0.000 2.855 989 T HA 0.646 4.999 4.350 0.005 0.000 0.281 989 T C 0.557 175.326 174.700 0.114 0.000 1.007 989 T CA -0.688 61.474 62.100 0.104 0.000 1.009 989 T CB 0.890 69.780 68.868 0.038 0.000 0.983 989 T HN 0.539 nan 8.240 nan 0.000 0.455 990 I N 2.783 123.454 120.570 0.170 0.000 2.845 990 I HA 0.183 4.356 4.170 0.005 0.000 0.296 990 I C 1.515 177.664 176.117 0.054 0.000 1.216 990 I CA 0.417 61.775 61.300 0.096 0.000 1.438 990 I CB 0.255 38.327 38.000 0.120 0.000 1.342 990 I HN 1.015 nan 8.210 nan 0.000 0.577 991 G N 6.017 114.833 108.800 0.026 0.000 2.739 991 G HA2 0.326 4.289 3.960 0.005 0.000 0.200 991 G HA3 0.326 4.289 3.960 0.005 0.000 0.200 991 G C 0.005 174.918 174.900 0.023 0.000 1.069 991 G CA 0.324 45.460 45.100 0.059 0.000 0.768 991 G HN 0.444 nan 8.290 nan 0.000 0.565 992 I N 0.251 120.764 120.570 -0.095 0.000 3.279 992 I HA 0.532 4.705 4.170 0.005 0.000 0.315 992 I C -1.167 174.812 176.117 -0.231 0.000 1.225 992 I CA -0.750 60.418 61.300 -0.220 0.000 0.947 992 I CB 2.507 40.223 38.000 -0.473 0.000 1.293 992 I HN 0.006 nan 8.210 nan 0.000 0.468 993 T N 0.653 115.107 114.554 -0.166 0.000 2.892 993 T HA 0.568 4.921 4.350 0.005 0.000 0.311 993 T C -0.903 173.866 174.700 0.114 0.000 1.033 993 T CA -0.408 61.650 62.100 -0.071 0.000 0.991 993 T CB -0.077 68.788 68.868 -0.006 0.000 0.981 993 T HN 0.340 nan 8.240 nan 0.000 0.457 994 Y N 1.510 121.807 120.300 -0.005 0.000 2.352 994 Y HA 0.496 5.048 4.550 0.004 0.000 0.326 994 Y C 1.359 177.259 175.900 0.000 0.000 1.166 994 Y CA -1.716 56.392 58.100 0.014 0.000 1.182 994 Y CB 1.500 39.997 38.460 0.061 0.000 1.216 994 Y HN 0.362 nan 8.280 nan 0.000 0.474 995 R N 0.948 121.549 120.500 0.168 0.000 2.615 995 R HA 0.114 4.457 4.340 0.005 0.000 0.270 995 R C 1.414 177.746 176.300 0.053 0.000 1.081 995 R CA -0.320 55.823 56.100 0.071 0.000 1.154 995 R CB 0.654 30.972 30.300 0.031 0.000 1.063 995 R HN 0.715 nan 8.270 nan 0.000 0.519 996 R N 1.514 122.022 120.500 0.013 0.000 2.133 996 R HA -0.262 4.081 4.340 0.005 0.000 0.247 996 R C 0.876 177.157 176.300 -0.032 0.000 1.151 996 R CA 2.228 58.323 56.100 -0.009 0.000 0.971 996 R CB 0.050 30.328 30.300 -0.037 0.000 0.866 996 R HN 0.652 nan 8.270 nan 0.000 0.447 997 E N 0.911 121.082 120.200 -0.048 0.000 1.997 997 E HA -0.212 4.141 4.350 0.005 0.000 0.201 997 E C 1.660 178.222 176.600 -0.063 0.000 1.011 997 E CA 1.921 58.273 56.400 -0.079 0.000 0.847 997 E CB -0.436 29.226 29.700 -0.064 0.000 0.787 997 E HN 0.439 nan 8.360 nan 0.000 0.472 998 D N 0.360 120.716 120.400 -0.074 0.000 2.280 998 D HA -0.185 4.458 4.640 0.005 0.000 0.206 998 D C 0.659 176.918 176.300 -0.067 0.000 0.988 998 D CA 0.634 54.507 54.000 -0.212 0.000 0.886 998 D CB -0.252 40.401 40.800 -0.245 0.000 0.914 998 D HN 0.139 nan 8.370 nan 0.000 0.473 999 M N 1.728 121.373 119.600 0.076 0.000 2.252 999 M HA 0.077 4.560 4.480 0.005 0.000 0.333 999 M C -2.124 174.253 176.300 0.130 0.000 1.111 999 M CA -1.151 54.213 55.300 0.107 0.000 1.140 999 M CB 0.648 33.301 32.600 0.087 0.000 1.538 999 M HN -0.189 nan 8.290 nan 0.000 0.448 1000 P HA 0.351 nan 4.420 nan 0.000 0.275 1000 P C -1.424 176.018 177.300 0.237 0.000 1.266 1000 P CA -0.134 62.971 63.100 0.008 0.000 0.793 1000 P CB 0.402 31.921 31.700 -0.302 0.000 1.074 1001 F N -4.421 115.557 119.950 0.046 0.000 2.703 1001 F HA 0.502 5.032 4.527 0.005 0.000 0.308 1001 F C -0.690 175.126 175.800 0.027 0.000 1.126 1001 F CA -1.006 57.014 58.000 0.033 0.000 0.959 1001 F CB 0.631 39.640 39.000 0.014 0.000 1.297 1001 F HN 0.188 nan 8.300 nan 0.000 0.441 1002 T N 0.568 115.153 114.554 0.051 0.000 2.816 1002 T HA 0.541 4.894 4.350 0.005 0.000 0.282 1002 T C 1.145 175.918 174.700 0.122 0.000 0.993 1002 T CA 0.278 62.344 62.100 -0.056 0.000 0.994 1002 T CB 1.310 70.031 68.868 -0.246 0.000 1.025 1002 T HN 0.982 nan 8.240 nan 0.000 0.529 1003 A N 1.496 124.383 122.820 0.112 0.000 2.119 1003 A HA 0.061 4.383 4.320 0.005 0.000 0.217 1003 A C 1.990 179.605 177.584 0.052 0.000 1.153 1003 A CA 1.188 53.264 52.037 0.065 0.000 0.692 1003 A CB -0.496 18.600 19.000 0.161 0.000 0.799 1003 A HN 0.944 nan 8.150 nan 0.000 0.458 1004 E N -1.585 118.654 120.200 0.065 0.000 2.208 1004 E HA 0.123 4.476 4.350 0.005 0.000 0.193 1004 E C 1.372 178.001 176.600 0.048 0.000 0.988 1004 E CA 0.644 57.076 56.400 0.053 0.000 0.828 1004 E CB -0.054 29.692 29.700 0.077 0.000 0.763 1004 E HN 0.717 nan 8.360 nan 0.000 0.478 1005 G N 0.065 108.915 108.800 0.085 0.000 2.260 1005 G HA2 -0.164 3.799 3.960 0.005 0.000 0.179 1005 G HA3 -0.164 3.799 3.960 0.005 0.000 0.179 1005 G C 0.181 175.126 174.900 0.074 0.000 1.002 1005 G CA -0.368 44.765 45.100 0.056 0.000 0.677 1005 G HN 0.039 nan 8.290 nan 0.000 0.486 1006 I N 1.513 122.146 120.570 0.105 0.000 2.752 1006 I HA 0.392 4.565 4.170 0.005 0.000 0.287 1006 I C 0.968 177.213 176.117 0.214 0.000 1.188 1006 I CA -0.130 61.255 61.300 0.142 0.000 1.427 1006 I CB 0.994 39.092 38.000 0.164 0.000 1.365 1006 I HN -0.043 nan 8.210 nan 0.000 0.585 1007 V N 7.795 127.832 119.914 0.205 0.000 3.019 1007 V HA 0.596 4.718 4.120 0.005 0.000 0.317 1007 V C -2.220 174.004 176.094 0.218 0.000 1.094 1007 V CA -1.724 60.706 62.300 0.216 0.000 1.000 1007 V CB 2.682 34.561 31.823 0.093 0.000 1.060 1007 V HN 0.682 nan 8.190 nan 0.000 0.443 1008 P HA 0.412 nan 4.420 nan 0.000 0.290 1008 P C -0.459 176.762 177.300 -0.132 0.000 1.283 1008 P CA -0.413 62.612 63.100 -0.125 0.000 0.869 1008 P CB 1.231 32.786 31.700 -0.241 0.000 1.100 1009 D N 0.726 121.006 120.400 -0.200 0.000 2.183 1009 D HA 0.022 4.665 4.640 0.005 0.000 0.203 1009 D C 0.742 176.919 176.300 -0.205 0.000 0.969 1009 D CA 1.474 55.363 54.000 -0.185 0.000 0.842 1009 D CB 0.158 40.827 40.800 -0.217 0.000 0.957 1009 D HN 0.369 nan 8.370 nan 0.000 0.484 1010 L N -2.139 118.927 121.223 -0.261 0.000 2.592 1010 L HA 0.444 4.787 4.340 0.005 0.000 0.258 1010 L C -1.501 175.215 176.870 -0.256 0.000 0.926 1010 L CA -0.818 53.858 54.840 -0.272 0.000 0.885 1010 L CB 1.860 43.694 42.059 -0.376 0.000 1.380 1010 L HN -0.312 nan 8.230 nan 0.000 0.415 1011 I N 4.345 124.808 120.570 -0.178 0.000 2.353 1011 I HA 0.497 4.670 4.170 0.005 0.000 0.293 1011 I C 0.085 176.163 176.117 -0.066 0.000 0.992 1011 I CA -0.671 60.563 61.300 -0.110 0.000 1.268 1011 I CB 1.399 39.361 38.000 -0.064 0.000 1.387 1011 I HN 0.558 nan 8.210 nan 0.000 0.478 1012 I N 3.317 123.876 120.570 -0.018 0.000 2.676 1012 I HA 0.420 4.593 4.170 0.005 0.000 0.309 1012 I C -0.194 175.956 176.117 0.056 0.000 0.990 1012 I CA -0.886 60.436 61.300 0.036 0.000 1.168 1012 I CB 1.370 39.422 38.000 0.087 0.000 1.343 1012 I HN 0.498 nan 8.210 nan 0.000 0.482 1013 N N 5.170 123.908 118.700 0.064 0.000 2.426 1013 N HA 0.289 5.032 4.740 0.005 0.000 0.275 1013 N C -2.016 173.553 175.510 0.099 0.000 1.019 1013 N CA -2.511 50.597 53.050 0.097 0.000 0.941 1013 N CB 1.346 39.887 38.487 0.090 0.000 1.123 1013 N HN 0.353 nan 8.380 nan 0.000 0.486 1014 P HA -0.010 nan 4.420 nan 0.000 0.258 1014 P C 0.195 177.462 177.300 -0.056 0.000 1.319 1014 P CA 0.645 63.752 63.100 0.011 0.000 0.785 1014 P CB -0.094 31.605 31.700 -0.001 0.000 1.252 1015 H N -0.363 118.697 119.070 -0.017 0.000 2.562 1015 H HA 0.265 4.824 4.556 0.005 0.000 0.267 1015 H C 1.205 176.509 175.328 -0.040 0.000 0.959 1015 H CA 0.397 56.431 56.048 -0.023 0.000 1.204 1015 H CB 0.497 30.251 29.762 -0.014 0.000 1.430 1015 H HN 0.153 nan 8.280 nan 0.000 0.545 1016 A N 0.822 123.667 122.820 0.042 0.000 2.579 1016 A HA 0.155 4.478 4.320 0.005 0.000 0.273 1016 A C 1.250 178.788 177.584 -0.077 0.000 1.363 1016 A CA 0.020 52.046 52.037 -0.019 0.000 0.953 1016 A CB -0.343 18.637 19.000 -0.034 0.000 1.034 1016 A HN 0.118 nan 8.150 nan 0.000 0.536 1017 I N -0.301 120.221 120.570 -0.080 0.000 3.366 1017 I HA 0.101 4.274 4.170 0.005 0.000 0.267 1017 I C -0.985 175.079 176.117 -0.088 0.000 1.149 1017 I CA 0.296 61.530 61.300 -0.111 0.000 1.436 1017 I CB -1.379 36.544 38.000 -0.128 0.000 1.379 1017 I HN 0.122 nan 8.210 nan 0.000 0.460 1018 P HA 0.045 nan 4.420 nan 0.000 0.230 1018 P C 1.602 178.879 177.300 -0.038 0.000 1.168 1018 P CA 0.942 64.005 63.100 -0.061 0.000 0.793 1018 P CB 0.090 31.748 31.700 -0.069 0.000 0.851 1019 S N 0.197 115.878 115.700 -0.031 0.000 2.470 1019 S HA 0.021 4.494 4.470 0.005 0.000 0.222 1019 S C 1.678 176.271 174.600 -0.013 0.000 1.024 1019 S CA -0.148 58.042 58.200 -0.016 0.000 0.931 1019 S CB -0.598 62.598 63.200 -0.008 0.000 0.791 1019 S HN 0.096 nan 8.310 nan 0.000 0.513 1020 R N 0.790 121.277 120.500 -0.022 0.000 2.362 1020 R HA 0.408 4.751 4.340 0.005 0.000 0.227 1020 R C 0.305 176.603 176.300 -0.005 0.000 0.905 1020 R CA 0.015 56.108 56.100 -0.011 0.000 1.067 1020 R CB -0.772 29.508 30.300 -0.033 0.000 1.078 1020 R HN 0.347 nan 8.270 nan 0.000 0.516 1021 M N 2.036 121.625 119.600 -0.019 0.000 2.140 1021 M HA -0.175 4.308 4.480 0.005 0.000 0.196 1021 M C -0.005 176.287 176.300 -0.013 0.000 0.275 1021 M CA 1.203 56.492 55.300 -0.019 0.000 0.375 1021 M CB -1.525 31.073 32.600 -0.003 0.000 1.075 1021 M HN 0.184 nan 8.290 nan 0.000 0.944 1022 T N -0.670 113.866 114.554 -0.030 0.000 2.782 1022 T HA 0.428 4.781 4.350 0.005 0.000 0.298 1022 T C 0.870 175.534 174.700 -0.059 0.000 0.944 1022 T CA -0.579 61.506 62.100 -0.026 0.000 1.001 1022 T CB 0.624 69.479 68.868 -0.021 0.000 0.932 1022 T HN 0.227 nan 8.240 nan 0.000 0.524 1023 V N 5.337 125.228 119.914 -0.039 0.000 2.685 1023 V HA 0.106 4.229 4.120 0.005 0.000 0.244 1023 V C 2.823 178.873 176.094 -0.074 0.000 1.054 1023 V CA 1.369 63.638 62.300 -0.053 0.000 1.076 1023 V CB -1.019 30.789 31.823 -0.024 0.000 0.725 1023 V HN 0.972 nan 8.190 nan 0.000 0.467 1024 A N 0.272 123.055 122.820 -0.061 0.000 1.882 1024 A HA -0.420 3.903 4.320 0.005 0.000 0.220 1024 A C 2.186 179.663 177.584 -0.177 0.000 1.253 1024 A CA 2.725 54.727 52.037 -0.057 0.000 0.664 1024 A CB -1.327 17.665 19.000 -0.013 0.000 0.838 1024 A HN 0.690 nan 8.150 nan 0.000 0.460 1025 H N 0.228 118.909 119.070 -0.648 0.000 2.330 1025 H HA -0.198 4.361 4.556 0.005 0.000 0.290 1025 H C 1.953 177.246 175.328 -0.060 0.000 1.111 1025 H CA 2.391 58.200 56.048 -0.398 0.000 1.226 1025 H CB -0.397 29.201 29.762 -0.273 0.000 1.355 1025 H HN 0.470 nan 8.280 nan 0.000 0.485 1026 L N 0.003 121.292 121.223 0.109 0.000 2.046 1026 L HA -0.201 4.142 4.340 0.005 0.000 0.208 1026 L C 2.924 179.847 176.870 0.089 0.000 1.077 1026 L CA 1.194 56.065 54.840 0.051 0.000 0.747 1026 L CB -0.505 41.459 42.059 -0.158 0.000 0.896 1026 L HN 0.245 nan 8.230 nan 0.000 0.432 1027 I N 0.411 120.974 120.570 -0.012 0.000 2.054 1027 I HA -0.331 3.842 4.170 0.005 0.000 0.231 1027 I C 2.628 178.823 176.117 0.131 0.000 1.052 1027 I CA 1.763 63.035 61.300 -0.046 0.000 1.320 1027 I CB -0.691 37.082 38.000 -0.378 0.000 1.063 1027 I HN 0.359 nan 8.210 nan 0.000 0.393 1028 E N 0.839 121.205 120.200 0.278 0.000 2.233 1028 E HA -0.388 3.965 4.350 0.005 0.000 0.210 1028 E C 2.230 178.904 176.600 0.123 0.000 1.046 1028 E CA 2.248 58.800 56.400 0.253 0.000 0.844 1028 E CB -0.807 28.994 29.700 0.168 0.000 0.741 1028 E HN 0.608 nan 8.360 nan 0.000 0.465 1029 C N -0.355 119.003 119.300 0.097 0.000 2.436 1029 C HA -0.098 4.365 4.460 0.005 0.000 0.277 1029 C C 2.607 177.607 174.990 0.016 0.000 1.241 1029 C CA 0.955 60.007 59.018 0.058 0.000 1.721 1029 C CB -1.213 26.632 27.740 0.175 0.000 2.043 1029 C HN 0.670 nan 8.230 nan 0.000 0.472 1030 L N 0.772 122.049 121.223 0.089 0.000 1.955 1030 L HA -0.082 4.261 4.340 0.005 0.000 0.213 1030 L C 2.383 179.260 176.870 0.011 0.000 1.072 1030 L CA 2.241 57.102 54.840 0.036 0.000 0.755 1030 L CB -1.127 40.997 42.059 0.108 0.000 0.888 1030 L HN 0.443 nan 8.230 nan 0.000 0.432 1031 L N -0.988 120.268 121.223 0.055 0.000 2.034 1031 L HA -0.308 4.035 4.340 0.005 0.000 0.217 1031 L C 2.483 179.364 176.870 0.019 0.000 1.077 1031 L CA 2.391 57.269 54.840 0.062 0.000 0.769 1031 L CB -1.100 41.061 42.059 0.171 0.000 0.890 1031 L HN 0.365 nan 8.230 nan 0.000 0.435 1032 S N -0.741 114.969 115.700 0.016 0.000 2.355 1032 S HA -0.219 4.254 4.470 0.005 0.000 0.222 1032 S C 1.872 176.450 174.600 -0.036 0.000 1.031 1032 S CA 1.413 59.608 58.200 -0.007 0.000 0.993 1032 S CB -0.343 62.859 63.200 0.004 0.000 0.859 1032 S HN 0.501 nan 8.310 nan 0.000 0.453 1033 K N 1.166 121.526 120.400 -0.067 0.000 2.015 1033 K HA -0.186 4.137 4.320 0.005 0.000 0.220 1033 K C 1.959 178.516 176.600 -0.072 0.000 1.055 1033 K CA 1.927 58.154 56.287 -0.100 0.000 0.951 1033 K CB -0.595 31.802 32.500 -0.172 0.000 0.725 1033 K HN 0.145 nan 8.250 nan 0.000 0.449 1034 V N 1.129 120.998 119.914 -0.076 0.000 2.278 1034 V HA -0.325 3.797 4.120 0.005 0.000 0.251 1034 V C 2.399 178.440 176.094 -0.089 0.000 1.062 1034 V CA 2.244 64.477 62.300 -0.112 0.000 1.038 1034 V CB -0.811 30.939 31.823 -0.121 0.000 0.646 1034 V HN 0.607 nan 8.190 nan 0.000 0.447 1035 A N -0.766 122.023 122.820 -0.051 0.000 2.121 1035 A HA 0.044 4.367 4.320 0.005 0.000 0.218 1035 A C 2.296 179.875 177.584 -0.009 0.000 1.154 1035 A CA 1.646 53.664 52.037 -0.030 0.000 0.679 1035 A CB -0.494 18.491 19.000 -0.025 0.000 0.795 1035 A HN 0.603 nan 8.150 nan 0.000 0.458 1036 A N -0.658 122.157 122.820 -0.007 0.000 1.970 1036 A HA 0.200 4.523 4.320 0.005 0.000 0.216 1036 A C 2.019 179.631 177.584 0.047 0.000 1.170 1036 A CA 1.246 53.290 52.037 0.011 0.000 0.645 1036 A CB -0.269 18.730 19.000 -0.001 0.000 0.816 1036 A HN 0.453 nan 8.150 nan 0.000 0.447 1037 L N -0.705 120.562 121.223 0.074 0.000 2.265 1037 L HA -0.013 4.330 4.340 0.005 0.000 0.195 1037 L C 2.806 179.806 176.870 0.217 0.000 1.083 1037 L CA 1.123 56.073 54.840 0.183 0.000 0.798 1037 L CB -0.439 41.821 42.059 0.335 0.000 0.989 1037 L HN 0.433 nan 8.230 nan 0.000 0.472 1038 S N 0.331 116.114 115.700 0.139 0.000 2.469 1038 S HA -0.043 4.430 4.470 0.005 0.000 0.238 1038 S C 1.616 176.261 174.600 0.075 0.000 0.998 1038 S CA 0.631 58.904 58.200 0.120 0.000 0.957 1038 S CB -0.604 62.579 63.200 -0.028 0.000 0.764 1038 S HN 0.588 nan 8.310 nan 0.000 0.514 1039 G N 1.478 110.308 108.800 0.051 0.000 2.221 1039 G HA2 -0.225 3.738 3.960 0.005 0.000 0.265 1039 G HA3 -0.225 3.738 3.960 0.005 0.000 0.265 1039 G C -0.195 174.714 174.900 0.014 0.000 1.041 1039 G CA 0.246 45.365 45.100 0.032 0.000 0.807 1039 G HN 0.619 nan 8.290 nan 0.000 0.502 1040 N N -0.433 118.268 118.700 0.003 0.000 2.619 1040 N HA 0.496 5.238 4.740 0.005 0.000 0.294 1040 N C -0.107 175.389 175.510 -0.023 0.000 1.279 1040 N CA -0.794 52.250 53.050 -0.009 0.000 0.867 1040 N CB 0.936 39.418 38.487 -0.008 0.000 1.329 1040 N HN 0.395 nan 8.380 nan 0.000 0.557 1041 E N -0.520 119.660 120.200 -0.034 0.000 2.354 1041 E HA 0.379 4.732 4.350 0.005 0.000 0.269 1041 E C -0.006 176.563 176.600 -0.052 0.000 1.036 1041 E CA -0.503 55.866 56.400 -0.052 0.000 0.876 1041 E CB 0.547 30.204 29.700 -0.071 0.000 1.009 1041 E HN 0.599 nan 8.360 nan 0.000 0.416 1042 G N 2.814 111.576 108.800 -0.063 0.000 2.339 1042 G HA2 0.087 4.050 3.960 0.005 0.000 0.287 1042 G HA3 0.087 4.050 3.960 0.005 0.000 0.287 1042 G C -0.638 174.203 174.900 -0.098 0.000 1.163 1042 G CA -0.419 44.647 45.100 -0.057 0.000 0.872 1042 G HN 0.554 nan 8.290 nan 0.000 0.464 1043 D N 1.944 122.305 120.400 -0.065 0.000 2.557 1043 D HA 0.365 5.008 4.640 0.005 0.000 0.236 1043 D C 1.015 177.234 176.300 -0.135 0.000 1.154 1043 D CA -0.553 53.392 54.000 -0.092 0.000 0.985 1043 D CB 0.431 41.213 40.800 -0.030 0.000 1.010 1043 D HN 0.321 nan 8.370 nan 0.000 0.516 1044 A N 2.180 124.786 122.820 -0.357 0.000 2.734 1044 A HA 0.264 4.587 4.320 0.005 0.000 0.279 1044 A C 0.737 177.969 177.584 -0.586 0.000 1.386 1044 A CA -0.473 51.034 52.037 -0.883 0.000 0.987 1044 A CB -0.274 18.085 19.000 -1.067 0.000 1.041 1044 A HN 0.337 nan 8.150 nan 0.000 0.569 1045 S N 1.814 117.367 115.700 -0.245 0.000 2.572 1045 S HA 0.237 4.710 4.470 0.005 0.000 0.279 1045 S C -1.558 173.026 174.600 -0.027 0.000 1.341 1045 S CA -0.744 57.395 58.200 -0.100 0.000 1.043 1045 S CB 0.726 63.937 63.200 0.018 0.000 0.887 1045 S HN 0.353 nan 8.310 nan 0.000 0.516 1046 P HA -0.045 nan 4.420 nan 0.000 0.210 1046 P C -0.097 177.102 177.300 -0.168 0.000 1.141 1046 P CA 0.499 63.425 63.100 -0.291 0.000 0.757 1046 P CB -0.065 31.169 31.700 -0.775 0.000 0.567 1047 F N 0.344 120.382 119.950 0.147 0.000 2.495 1047 F HA 0.174 4.704 4.527 0.005 0.000 0.339 1047 F C 1.083 176.977 175.800 0.157 0.000 1.226 1047 F CA 0.099 58.166 58.000 0.111 0.000 0.998 1047 F CB -1.710 37.306 39.000 0.027 0.000 1.180 1047 F HN 0.019 nan 8.300 nan 0.000 0.611 1048 T N -1.871 112.859 114.554 0.293 0.000 2.843 1048 T HA 0.295 4.648 4.350 0.005 0.000 0.302 1048 T C -0.695 174.139 174.700 0.222 0.000 1.232 1048 T CA -1.216 61.044 62.100 0.266 0.000 1.009 1048 T CB 1.917 70.944 68.868 0.264 0.000 1.254 1048 T HN 0.108 nan 8.240 nan 0.000 0.504 1049 D N 1.314 121.825 120.400 0.184 0.000 2.619 1049 D HA 0.425 5.067 4.640 0.005 0.000 0.224 1049 D C -0.629 175.751 176.300 0.133 0.000 1.133 1049 D CA 0.161 54.248 54.000 0.145 0.000 1.017 1049 D CB -0.338 40.532 40.800 0.118 0.000 1.077 1049 D HN 0.454 nan 8.370 nan 0.000 0.503 1050 I N 0.829 121.488 120.570 0.149 0.000 2.499 1050 I HA 0.200 4.373 4.170 0.005 0.000 0.288 1050 I C -0.237 175.905 176.117 0.041 0.000 1.048 1050 I CA -0.336 61.030 61.300 0.110 0.000 1.062 1050 I CB 2.094 40.199 38.000 0.174 0.000 1.238 1050 I HN -0.089 nan 8.210 nan 0.000 0.426 1051 T N 4.587 119.142 114.554 0.000 0.000 2.908 1051 T HA 0.261 4.613 4.350 0.005 0.000 0.290 1051 T C 1.112 175.762 174.700 -0.084 0.000 1.034 1051 T CA -0.648 61.434 62.100 -0.031 0.000 1.010 1051 T CB 2.381 71.257 68.868 0.013 0.000 1.068 1051 T HN 0.219 nan 8.240 nan 0.000 0.481 1052 V N 1.368 121.215 119.914 -0.112 0.000 2.287 1052 V HA -0.180 3.943 4.120 0.005 0.000 0.248 1052 V C 2.614 178.696 176.094 -0.020 0.000 1.053 1052 V CA 1.769 64.017 62.300 -0.086 0.000 1.027 1052 V CB -0.579 31.198 31.823 -0.076 0.000 0.646 1052 V HN 0.812 nan 8.190 nan 0.000 0.447 1053 E N 0.750 120.949 120.200 -0.002 0.000 2.013 1053 E HA -0.238 4.114 4.350 0.005 0.000 0.202 1053 E C 2.410 179.022 176.600 0.020 0.000 1.018 1053 E CA 1.786 58.197 56.400 0.018 0.000 0.834 1053 E CB -1.217 28.496 29.700 0.022 0.000 0.770 1053 E HN 0.574 nan 8.360 nan 0.000 0.459 1054 G N 1.770 110.581 108.800 0.019 0.000 2.545 1054 G HA2 -0.274 3.689 3.960 0.005 0.000 0.222 1054 G HA3 -0.274 3.689 3.960 0.005 0.000 0.222 1054 G C 1.563 176.475 174.900 0.020 0.000 1.126 1054 G CA 1.078 46.192 45.100 0.024 0.000 0.754 1054 G HN 0.140 nan 8.290 nan 0.000 0.583 1055 I N 1.054 121.629 120.570 0.009 0.000 2.333 1055 I HA -0.045 4.128 4.170 0.005 0.000 0.246 1055 I C 2.906 179.034 176.117 0.019 0.000 1.106 1055 I CA 1.113 62.417 61.300 0.008 0.000 1.411 1055 I CB -1.054 36.944 38.000 -0.003 0.000 1.082 1055 I HN 0.121 nan 8.210 nan 0.000 0.420 1056 S N 1.142 116.861 115.700 0.032 0.000 2.368 1056 S HA -0.193 4.280 4.470 0.005 0.000 0.225 1056 S C 1.891 176.526 174.600 0.060 0.000 1.030 1056 S CA 1.317 59.550 58.200 0.055 0.000 0.999 1056 S CB -0.186 63.053 63.200 0.064 0.000 0.844 1056 S HN 0.432 nan 8.310 nan 0.000 0.459 1057 K N 1.323 121.753 120.400 0.049 0.000 2.063 1057 K HA -0.010 4.313 4.320 0.005 0.000 0.208 1057 K C 1.992 178.628 176.600 0.059 0.000 1.048 1057 K CA 1.069 57.387 56.287 0.052 0.000 0.928 1057 K CB -0.426 32.100 32.500 0.043 0.000 0.713 1057 K HN 0.267 nan 8.250 nan 0.000 0.442 1058 L N 0.645 121.895 121.223 0.044 0.000 2.046 1058 L HA -0.170 4.172 4.340 0.005 0.000 0.208 1058 L C 2.437 179.335 176.870 0.047 0.000 1.077 1058 L CA 0.779 55.639 54.840 0.033 0.000 0.747 1058 L CB -0.543 41.508 42.059 -0.014 0.000 0.896 1058 L HN 0.223 nan 8.230 nan 0.000 0.432 1059 L N 0.192 121.446 121.223 0.052 0.000 2.201 1059 L HA -0.161 4.182 4.340 0.005 0.000 0.212 1059 L C 2.581 179.571 176.870 0.200 0.000 1.105 1059 L CA 1.509 56.414 54.840 0.108 0.000 0.775 1059 L CB -0.571 41.538 42.059 0.084 0.000 0.913 1059 L HN 0.076 nan 8.230 nan 0.000 0.440 1060 R N 0.280 120.868 120.500 0.147 0.000 2.057 1060 R HA -0.114 4.229 4.340 0.005 0.000 0.229 1060 R C 2.208 178.581 176.300 0.122 0.000 1.136 1060 R CA 1.774 57.953 56.100 0.131 0.000 0.952 1060 R CB -0.674 29.681 30.300 0.091 0.000 0.848 1060 R HN 0.466 nan 8.270 nan 0.000 0.430 1061 E N -0.728 119.545 120.200 0.122 0.000 2.394 1061 E HA -0.227 4.126 4.350 0.005 0.000 0.202 1061 E C 0.811 177.489 176.600 0.130 0.000 1.029 1061 E CA 0.998 57.466 56.400 0.112 0.000 0.855 1061 E CB -0.090 29.688 29.700 0.130 0.000 0.770 1061 E HN 0.485 nan 8.360 nan 0.000 0.527 1062 H N -1.927 117.173 119.070 0.051 0.000 2.549 1062 H HA 0.131 4.689 4.556 0.005 0.000 0.279 1062 H C 1.035 176.369 175.328 0.011 0.000 1.018 1062 H CA 0.536 56.622 56.048 0.064 0.000 1.175 1062 H CB 0.996 30.833 29.762 0.125 0.000 1.485 1062 H HN 0.342 nan 8.280 nan 0.000 0.543 1063 G N 0.440 109.231 108.800 -0.014 0.000 2.175 1063 G HA2 -0.264 3.699 3.960 0.005 0.000 0.244 1063 G HA3 -0.264 3.699 3.960 0.005 0.000 0.244 1063 G C -0.478 174.158 174.900 -0.439 0.000 0.982 1063 G CA 0.194 45.148 45.100 -0.244 0.000 0.641 1063 G HN 0.349 nan 8.290 nan 0.000 0.527 1064 Y N -0.166 120.171 120.300 0.062 0.000 2.659 1064 Y HA 0.667 5.220 4.550 0.005 0.000 0.333 1064 Y C 0.415 176.353 175.900 0.063 0.000 1.064 1064 Y CA -0.825 57.307 58.100 0.053 0.000 1.141 1064 Y CB 0.763 39.252 38.460 0.050 0.000 1.316 1064 Y HN 0.261 nan 8.280 nan 0.000 0.509 1065 Q N -0.303 119.654 119.800 0.262 0.000 2.293 1065 Q HA 0.302 4.644 4.340 0.005 0.000 0.251 1065 Q C 0.492 176.611 176.000 0.197 0.000 0.930 1065 Q CA -0.059 55.853 55.803 0.182 0.000 0.893 1065 Q CB 1.538 30.365 28.738 0.147 0.000 1.215 1065 Q HN 0.656 nan 8.270 nan 0.000 0.425 1066 S N 2.804 118.598 115.700 0.157 0.000 2.653 1066 S HA 0.024 4.496 4.470 0.005 0.000 0.233 1066 S C 0.361 175.060 174.600 0.166 0.000 0.970 1066 S CA 0.005 58.290 58.200 0.143 0.000 0.947 1066 S CB -0.053 63.209 63.200 0.104 0.000 0.771 1066 S HN 0.649 nan 8.310 nan 0.000 0.538 1067 R N -0.330 120.317 120.500 0.246 0.000 2.566 1067 R HA 0.341 4.684 4.340 0.005 0.000 0.388 1067 R C 1.334 177.880 176.300 0.410 0.000 0.989 1067 R CA 0.389 56.686 56.100 0.329 0.000 1.164 1067 R CB -0.042 30.493 30.300 0.392 0.000 1.459 1067 R HN 0.521 nan 8.270 nan 0.000 0.553 1068 G N 0.924 109.855 108.800 0.218 0.000 2.176 1068 G HA2 -0.272 3.691 3.960 0.005 0.000 0.232 1068 G HA3 -0.272 3.691 3.960 0.005 0.000 0.232 1068 G C -0.052 174.741 174.900 -0.178 0.000 0.986 1068 G CA -0.378 44.645 45.100 -0.129 0.000 0.643 1068 G HN 0.193 nan 8.290 nan 0.000 0.522 1069 F N 1.559 121.564 119.950 0.092 0.000 2.429 1069 F HA 0.604 5.134 4.527 0.005 0.000 0.348 1069 F C 0.919 176.728 175.800 0.015 0.000 1.109 1069 F CA 0.043 58.092 58.000 0.081 0.000 1.232 1069 F CB 0.913 39.974 39.000 0.102 0.000 1.157 1069 F HN 0.060 nan 8.300 nan 0.000 0.564 1070 E N 1.285 121.575 120.200 0.149 0.000 2.278 1070 E HA 0.295 4.648 4.350 0.005 0.000 0.272 1070 E C -1.368 175.223 176.600 -0.015 0.000 0.890 1070 E CA -0.873 55.538 56.400 0.018 0.000 0.770 1070 E CB 2.485 32.064 29.700 -0.202 0.000 1.212 1070 E HN 0.215 nan 8.360 nan 0.000 0.415 1071 V N 4.720 124.624 119.914 -0.017 0.000 2.452 1071 V HA -0.040 4.083 4.120 0.005 0.000 0.286 1071 V C 0.411 176.406 176.094 -0.165 0.000 0.995 1071 V CA 0.897 63.136 62.300 -0.103 0.000 1.116 1071 V CB -0.447 31.306 31.823 -0.118 0.000 0.954 1071 V HN 0.631 nan 8.190 nan 0.000 0.473 1072 M N 4.996 124.462 119.600 -0.223 0.000 2.644 1072 M HA 0.548 5.031 4.480 0.005 0.000 0.316 1072 M C -1.242 174.827 176.300 -0.385 0.000 1.200 1072 M CA -0.563 54.603 55.300 -0.224 0.000 0.944 1072 M CB 2.307 34.821 32.600 -0.143 0.000 1.691 1072 M HN 0.503 nan 8.290 nan 0.000 0.471 1073 Y N 0.526 120.486 120.300 -0.567 0.000 2.361 1073 Y HA 0.286 4.839 4.550 0.005 0.000 0.337 1073 Y C 0.379 176.015 175.900 -0.441 0.000 0.965 1073 Y CA -1.323 56.421 58.100 -0.594 0.000 1.091 1073 Y CB 0.772 38.669 38.460 -0.938 0.000 1.182 1073 Y HN 0.615 nan 8.280 nan 0.000 0.450 1074 N N 1.162 119.904 118.700 0.070 0.000 2.374 1074 N HA 0.001 4.744 4.740 0.005 0.000 0.241 1074 N C 0.769 176.479 175.510 0.334 0.000 1.262 1074 N CA 1.113 54.330 53.050 0.278 0.000 0.880 1074 N CB 1.307 39.951 38.487 0.261 0.000 1.105 1074 N HN 1.001 nan 8.380 nan 0.000 0.438 1075 G N 0.878 109.882 108.800 0.341 0.000 3.228 1075 G HA2 0.011 3.974 3.960 0.005 0.000 0.245 1075 G HA3 0.011 3.974 3.960 0.005 0.000 0.245 1075 G C 0.867 175.788 174.900 0.035 0.000 1.051 1075 G CA -0.154 45.121 45.100 0.292 0.000 0.809 1075 G HN 0.690 nan 8.290 nan 0.000 0.531 1076 H N -0.009 119.161 119.070 0.167 0.000 2.428 1076 H HA 0.059 4.617 4.556 0.004 0.000 0.296 1076 H C 1.936 177.308 175.328 0.073 0.000 1.062 1076 H CA 1.628 57.714 56.048 0.064 0.000 1.350 1076 H CB 0.457 30.218 29.762 -0.002 0.000 1.403 1076 H HN 0.288 nan 8.280 nan 0.000 0.533 1077 T N -2.322 112.364 114.554 0.220 0.000 3.048 1077 T HA 0.267 4.620 4.350 0.005 0.000 0.254 1077 T C 1.442 176.242 174.700 0.168 0.000 0.942 1077 T CA 0.833 63.035 62.100 0.169 0.000 0.931 1077 T CB 0.337 69.296 68.868 0.151 0.000 1.220 1077 T HN 0.547 nan 8.240 nan 0.000 0.503 1078 G N 2.042 110.980 108.800 0.230 0.000 2.205 1078 G HA2 -0.247 3.716 3.960 0.005 0.000 0.261 1078 G HA3 -0.247 3.716 3.960 0.005 0.000 0.261 1078 G C 0.153 175.199 174.900 0.244 0.000 0.980 1078 G CA 0.587 45.848 45.100 0.267 0.000 0.632 1078 G HN 0.580 nan 8.290 nan 0.000 0.533 1079 K N 1.323 121.826 120.400 0.171 0.000 2.368 1079 K HA 0.388 4.711 4.320 0.005 0.000 0.282 1079 K C 0.854 177.494 176.600 0.067 0.000 1.035 1079 K CA -0.445 55.914 56.287 0.120 0.000 0.973 1079 K CB 0.276 32.820 32.500 0.073 0.000 0.957 1079 K HN 0.210 nan 8.250 nan 0.000 0.474 1080 K N 3.337 123.722 120.400 -0.026 0.000 2.543 1080 K HA -0.118 4.205 4.320 0.005 0.000 0.279 1080 K C -0.208 176.270 176.600 -0.203 0.000 1.001 1080 K CA 0.347 56.432 56.287 -0.335 0.000 1.088 1080 K CB 0.231 32.526 32.500 -0.341 0.000 0.863 1080 K HN 0.529 nan 8.250 nan 0.000 0.488 1081 L N 5.520 126.593 121.223 -0.250 0.000 2.385 1081 L HA -0.032 4.311 4.340 0.005 0.000 0.281 1081 L C 1.765 178.576 176.870 -0.097 0.000 1.106 1081 L CA -0.289 54.489 54.840 -0.104 0.000 0.856 1081 L CB 0.633 42.664 42.059 -0.045 0.000 1.186 1081 L HN 0.784 nan 8.230 nan 0.000 0.453 1082 M N 2.487 122.059 119.600 -0.048 0.000 2.195 1082 M HA -0.186 4.297 4.480 0.005 0.000 0.254 1082 M C 0.737 177.024 176.300 -0.021 0.000 1.083 1082 M CA 1.365 56.646 55.300 -0.032 0.000 1.069 1082 M CB -0.643 31.953 32.600 -0.006 0.000 1.364 1082 M HN 0.652 nan 8.290 nan 0.000 0.403 1083 A N -0.105 122.718 122.820 0.006 0.000 2.355 1083 A HA 0.576 4.899 4.320 0.005 0.000 0.324 1083 A C -0.459 177.164 177.584 0.066 0.000 1.117 1083 A CA -0.757 51.303 52.037 0.037 0.000 0.785 1083 A CB 0.928 19.971 19.000 0.071 0.000 1.254 1083 A HN 0.318 nan 8.150 nan 0.000 0.453 1084 Q N 0.404 120.272 119.800 0.114 0.000 2.306 1084 Q HA 0.623 4.966 4.340 0.005 0.000 0.241 1084 Q C -0.616 175.612 176.000 0.380 0.000 0.948 1084 Q CA 0.415 56.344 55.803 0.210 0.000 0.886 1084 Q CB 0.913 29.779 28.738 0.213 0.000 1.227 1084 Q HN 0.605 nan 8.270 nan 0.000 0.457 1085 I N 1.147 121.884 120.570 0.277 0.000 2.530 1085 I HA 0.340 4.513 4.170 0.005 0.000 0.297 1085 I C -0.752 175.396 176.117 0.052 0.000 1.011 1085 I CA -1.038 60.369 61.300 0.179 0.000 1.107 1085 I CB 1.241 39.319 38.000 0.130 0.000 1.285 1085 I HN 0.490 nan 8.210 nan 0.000 0.436 1086 F N 6.306 126.103 119.950 -0.256 0.000 2.412 1086 F HA 0.480 5.010 4.527 0.005 0.000 0.348 1086 F C -0.824 174.973 175.800 -0.004 0.000 1.102 1086 F CA -0.102 57.706 58.000 -0.321 0.000 1.196 1086 F CB 0.609 39.342 39.000 -0.444 0.000 1.144 1086 F HN 0.288 nan 8.300 nan 0.000 0.541 1087 F N 4.771 124.302 119.950 -0.698 0.000 2.925 1087 F HA 0.525 5.055 4.527 0.005 0.000 0.347 1087 F C -0.834 174.664 175.800 -0.504 0.000 1.187 1087 F CA -0.288 57.470 58.000 -0.404 0.000 1.189 1087 F CB 0.760 39.607 39.000 -0.255 0.000 1.479 1087 F HN 0.721 nan 8.300 nan 0.000 0.645 1088 G N 4.522 113.056 108.800 -0.444 0.000 2.576 1088 G HA2 0.578 4.541 3.960 0.005 0.000 0.290 1088 G HA3 0.578 4.541 3.960 0.005 0.000 0.290 1088 G C -3.499 171.238 174.900 -0.272 0.000 1.442 1088 G CA -1.303 43.610 45.100 -0.312 0.000 0.792 1088 G HN 0.212 nan 8.290 nan 0.000 0.491 1089 P HA 0.344 nan 4.420 nan 0.000 0.268 1089 P C -0.675 176.597 177.300 -0.046 0.000 1.205 1089 P CA 0.239 63.276 63.100 -0.105 0.000 0.771 1089 P CB 0.995 32.662 31.700 -0.056 0.000 0.858 1090 T N 1.362 115.926 114.554 0.015 0.000 3.842 1090 T HA 0.083 4.436 4.350 0.005 0.000 0.336 1090 T C -0.796 174.079 174.700 0.292 0.000 0.900 1090 T CA -0.443 61.725 62.100 0.114 0.000 1.022 1090 T CB -0.466 68.450 68.868 0.079 0.000 1.068 1090 T HN 0.203 nan 8.240 nan 0.000 0.464 1091 Y N 3.321 123.701 120.300 0.133 0.000 2.802 1091 Y HA 0.263 4.816 4.550 0.005 0.000 0.333 1091 Y C -0.711 175.343 175.900 0.257 0.000 1.244 1091 Y CA 0.575 58.780 58.100 0.176 0.000 1.558 1091 Y CB 0.077 38.596 38.460 0.099 0.000 1.233 1091 Y HN 0.609 nan 8.280 nan 0.000 0.547 1092 Y N 3.750 124.001 120.300 -0.082 0.000 2.499 1092 Y HA 0.373 4.926 4.550 0.005 0.000 0.347 1092 Y C -0.599 175.321 175.900 0.034 0.000 0.987 1092 Y CA -1.104 57.019 58.100 0.040 0.000 1.044 1092 Y CB 1.796 40.322 38.460 0.111 0.000 1.245 1092 Y HN 0.455 nan 8.280 nan 0.000 0.461 1093 Q N 2.708 122.584 119.800 0.126 0.000 2.274 1093 Q HA 0.494 4.837 4.340 0.005 0.000 0.260 1093 Q C -0.817 175.214 176.000 0.052 0.000 0.974 1093 Q CA -1.178 54.685 55.803 0.101 0.000 0.876 1093 Q CB 2.497 31.288 28.738 0.089 0.000 1.297 1093 Q HN 0.518 nan 8.270 nan 0.000 0.446 1094 R N 3.254 123.742 120.500 -0.021 0.000 2.296 1094 R HA 0.285 4.627 4.340 0.005 0.000 0.327 1094 R C -0.673 175.526 176.300 -0.168 0.000 1.137 1094 R CA -0.168 55.794 56.100 -0.229 0.000 1.020 1094 R CB 0.031 30.196 30.300 -0.225 0.000 1.110 1094 R HN 0.606 nan 8.270 nan 0.000 0.499 1095 L N 3.407 124.508 121.223 -0.203 0.000 2.476 1095 L HA 0.295 4.638 4.340 0.005 0.000 0.255 1095 L C 1.127 177.889 176.870 -0.181 0.000 1.218 1095 L CA -0.544 54.217 54.840 -0.131 0.000 0.819 1095 L CB 0.281 42.299 42.059 -0.069 0.000 1.119 1095 L HN 0.637 nan 8.230 nan 0.000 0.485 1096 R N -0.143 120.204 120.500 -0.255 0.000 2.828 1096 R HA 0.118 4.461 4.340 0.005 0.000 0.270 1096 R C -0.184 175.905 176.300 -0.353 0.000 1.244 1096 R CA -0.029 55.831 56.100 -0.399 0.000 1.143 1096 R CB 0.114 29.944 30.300 -0.784 0.000 1.128 1096 R HN 0.728 nan 8.270 nan 0.000 0.587 1097 H N -2.412 116.551 119.070 -0.178 0.000 3.007 1097 H HA -0.103 4.456 4.556 0.005 0.000 0.267 1097 H C -0.639 174.590 175.328 -0.166 0.000 1.266 1097 H CA 0.582 56.532 56.048 -0.163 0.000 1.116 1097 H CB -2.346 27.324 29.762 -0.153 0.000 1.282 1097 H HN 0.523 nan 8.280 nan 0.000 0.372 1098 M N 0.105 119.631 119.600 -0.125 0.000 2.246 1098 M HA -0.016 4.467 4.480 0.005 0.000 0.327 1098 M C 2.145 178.395 176.300 -0.082 0.000 1.090 1098 M CA 0.374 55.596 55.300 -0.128 0.000 1.087 1098 M CB 0.505 33.012 32.600 -0.155 0.000 1.587 1098 M HN 0.021 nan 8.290 nan 0.000 0.444 1099 V N 0.496 120.371 119.914 -0.065 0.000 2.255 1099 V HA -0.261 3.862 4.120 0.005 0.000 0.247 1099 V C 1.471 177.543 176.094 -0.036 0.000 1.051 1099 V CA 1.993 64.270 62.300 -0.039 0.000 1.018 1099 V CB -0.710 31.097 31.823 -0.027 0.000 0.641 1099 V HN 0.850 nan 8.190 nan 0.000 0.445 1100 D N 0.018 120.391 120.400 -0.045 0.000 2.403 1100 D HA -0.110 4.533 4.640 0.005 0.000 0.227 1100 D C 1.455 177.729 176.300 -0.045 0.000 0.995 1100 D CA 0.768 54.746 54.000 -0.036 0.000 0.928 1100 D CB -0.238 40.541 40.800 -0.035 0.000 0.887 1100 D HN 0.497 nan 8.370 nan 0.000 0.529 1101 D N -0.850 119.511 120.400 -0.065 0.000 2.354 1101 D HA 0.024 4.667 4.640 0.005 0.000 0.209 1101 D C 1.758 178.037 176.300 -0.036 0.000 1.015 1101 D CA 0.340 54.296 54.000 -0.073 0.000 0.867 1101 D CB 0.474 41.201 40.800 -0.122 0.000 0.933 1101 D HN 0.217 nan 8.370 nan 0.000 0.520 1102 K N 0.163 120.554 120.400 -0.015 0.000 2.286 1102 K HA 0.119 4.442 4.320 0.005 0.000 0.203 1102 K C 0.607 177.235 176.600 0.047 0.000 1.078 1102 K CA -0.193 56.100 56.287 0.010 0.000 0.957 1102 K CB 0.762 33.266 32.500 0.006 0.000 1.018 1102 K HN -0.007 nan 8.250 nan 0.000 0.484 1103 I N 4.048 124.640 120.570 0.037 0.000 3.085 1103 I HA -0.134 4.039 4.170 0.005 0.000 0.302 1103 I C 0.135 176.321 176.117 0.116 0.000 1.234 1103 I CA 0.912 62.245 61.300 0.054 0.000 1.396 1103 I CB -1.834 36.183 38.000 0.028 0.000 1.385 1103 I HN 0.207 nan 8.210 nan 0.000 0.533 1104 H N 5.276 124.341 119.070 -0.009 0.000 2.806 1104 H HA 0.835 5.393 4.556 0.004 0.000 0.367 1104 H C -1.430 173.895 175.328 -0.005 0.000 1.136 1104 H CA -0.732 55.311 56.048 -0.008 0.000 1.178 1104 H CB 1.892 31.649 29.762 -0.008 0.000 1.718 1104 H HN 0.735 nan 8.280 nan 0.000 0.540 1105 A N 4.501 127.105 122.820 -0.360 0.000 2.539 1105 A HA 0.739 5.061 4.320 0.005 0.000 0.296 1105 A C -1.242 176.112 177.584 -0.383 0.000 1.073 1105 A CA -0.851 50.923 52.037 -0.437 0.000 0.700 1105 A CB 1.691 20.596 19.000 -0.158 0.000 1.296 1105 A HN 0.819 nan 8.150 nan 0.000 0.405 1106 R N 0.667 120.989 120.500 -0.296 0.000 2.673 1106 R HA 0.730 5.073 4.340 0.005 0.000 0.281 1106 R C -1.225 175.034 176.300 -0.069 0.000 0.991 1106 R CA -0.044 55.999 56.100 -0.095 0.000 0.896 1106 R CB 2.001 32.289 30.300 -0.020 0.000 1.201 1106 R HN 1.355 nan 8.270 nan 0.000 0.457 1107 A N 4.619 127.419 122.820 -0.032 0.000 3.216 1107 A HA 0.432 4.755 4.320 0.005 0.000 0.321 1107 A C -0.613 176.960 177.584 -0.018 0.000 1.042 1107 A CA -0.450 51.569 52.037 -0.030 0.000 0.838 1107 A CB 0.254 19.238 19.000 -0.026 0.000 1.136 1107 A HN 0.938 nan 8.150 nan 0.000 0.483 1108 R N -0.405 120.084 120.500 -0.018 0.000 1.050 1108 R HA -0.021 4.322 4.340 0.005 0.000 0.427 1108 R C 0.014 176.313 176.300 -0.002 0.000 1.355 1108 R CA 0.831 56.924 56.100 -0.013 0.000 1.110 1108 R CB -0.983 29.309 30.300 -0.014 0.000 3.300 1108 R HN 1.839 nan 8.270 nan 0.000 0.509 1109 G N 3.596 112.396 108.800 -0.001 0.000 2.694 1109 G HA2 0.617 4.580 3.960 0.005 0.000 0.246 1109 G HA3 0.617 4.580 3.960 0.005 0.000 0.246 1109 G C -2.907 171.991 174.900 -0.003 0.000 1.205 1109 G CA -0.392 44.710 45.100 0.004 0.000 0.891 1109 G HN 0.522 nan 8.290 nan 0.000 0.515 1110 P HA 0.471 nan 4.420 nan 0.000 0.279 1110 P C -0.722 176.568 177.300 -0.017 0.000 1.239 1110 P CA -0.126 62.968 63.100 -0.009 0.000 0.789 1110 P CB 1.162 32.858 31.700 -0.006 0.000 0.933 1111 M N 1.254 120.835 119.600 -0.032 0.000 2.478 1111 M HA 0.308 4.791 4.480 0.005 0.000 0.327 1111 M C 0.784 177.055 176.300 -0.048 0.000 1.187 1111 M CA -0.747 54.524 55.300 -0.048 0.000 1.022 1111 M CB 1.016 33.568 32.600 -0.080 0.000 1.629 1111 M HN 0.415 nan 8.290 nan 0.000 0.461 1112 Q N 0.306 120.079 119.800 -0.046 0.000 2.584 1112 Q HA 0.170 4.512 4.340 0.005 0.000 0.218 1112 Q C 0.985 176.946 176.000 -0.066 0.000 1.079 1112 Q CA -0.234 55.545 55.803 -0.040 0.000 1.008 1112 Q CB 0.852 29.575 28.738 -0.025 0.000 1.267 1112 Q HN 0.580 nan 8.270 nan 0.000 0.586 1113 V N -0.266 119.617 119.914 -0.051 0.000 2.672 1113 V HA -0.124 3.999 4.120 0.005 0.000 0.242 1113 V C 1.812 177.863 176.094 -0.072 0.000 1.059 1113 V CA 0.551 62.810 62.300 -0.069 0.000 1.081 1113 V CB -0.507 31.294 31.823 -0.037 0.000 0.752 1113 V HN 0.576 nan 8.190 nan 0.000 0.472 1114 L N 1.313 122.525 121.223 -0.017 0.000 1.994 1114 L HA -0.115 4.228 4.340 0.005 0.000 0.208 1114 L C 2.443 179.366 176.870 0.087 0.000 1.071 1114 L CA 2.835 57.699 54.840 0.040 0.000 0.745 1114 L CB -0.990 41.094 42.059 0.043 0.000 0.892 1114 L HN 0.455 nan 8.230 nan 0.000 0.431 1115 T N -1.507 113.070 114.554 0.039 0.000 3.054 1115 T HA 0.055 4.408 4.350 0.005 0.000 0.259 1115 T C 0.667 175.357 174.700 -0.017 0.000 1.092 1115 T CA 0.085 62.237 62.100 0.087 0.000 1.121 1115 T CB -0.131 68.767 68.868 0.050 0.000 0.912 1115 T HN 0.328 nan 8.240 nan 0.000 0.489 1116 R N 1.367 121.748 120.500 -0.199 0.000 3.422 1116 R HA -0.146 4.197 4.340 0.005 0.000 0.267 1116 R C -0.475 175.754 176.300 -0.118 0.000 1.074 1116 R CA 0.376 56.317 56.100 -0.265 0.000 0.718 1116 R CB -2.143 27.831 30.300 -0.543 0.000 1.157 1116 R HN 0.558 nan 8.270 nan 0.000 0.440 1117 Q N -0.160 119.604 119.800 -0.060 0.000 2.297 1117 Q HA 0.472 4.815 4.340 0.005 0.000 0.269 1117 Q C -2.405 173.581 176.000 -0.024 0.000 1.051 1117 Q CA -2.345 53.442 55.803 -0.026 0.000 0.869 1117 Q CB 1.848 30.587 28.738 0.001 0.000 1.346 1117 Q HN -0.104 nan 8.270 nan 0.000 0.457 1118 P HA -0.014 nan 4.420 nan 0.000 0.271 1118 P C -0.901 176.404 177.300 0.007 0.000 1.218 1118 P CA -0.203 62.896 63.100 -0.001 0.000 0.780 1118 P CB 0.475 32.180 31.700 0.008 0.000 0.901 1119 V N -0.623 119.296 119.914 0.009 0.000 2.617 1119 V HA 0.404 4.527 4.120 0.005 0.000 0.298 1119 V C 0.285 176.387 176.094 0.012 0.000 1.048 1119 V CA -0.804 61.500 62.300 0.006 0.000 0.964 1119 V CB 1.060 32.881 31.823 -0.003 0.000 1.004 1119 V HN 0.442 nan 8.190 nan 0.000 0.466 1120 E N 1.882 122.085 120.200 0.006 0.000 2.366 1120 E HA 0.500 4.853 4.350 0.005 0.000 0.266 1120 E C 0.450 177.044 176.600 -0.009 0.000 1.051 1120 E CA 0.794 57.198 56.400 0.007 0.000 0.884 1120 E CB 1.026 30.728 29.700 0.004 0.000 1.006 1120 E HN 1.623 nan 8.360 nan 0.000 0.417 1121 G N 2.546 111.340 108.800 -0.010 0.000 2.728 1121 G HA2 -0.276 3.687 3.960 0.005 0.000 0.686 1121 G HA3 -0.276 3.687 3.960 0.005 0.000 0.686 1121 G C 0.379 175.206 174.900 -0.123 0.000 1.337 1121 G CA 0.153 45.225 45.100 -0.047 0.000 0.861 1121 G HN 0.782 nan 8.290 nan 0.000 0.597 1122 R N 0.109 120.472 120.500 -0.228 0.000 2.189 1122 R HA 0.044 4.387 4.340 0.005 0.000 0.218 1122 R C 2.559 178.626 176.300 -0.388 0.000 1.074 1122 R CA 2.096 57.836 56.100 -0.601 0.000 0.991 1122 R CB -0.314 29.611 30.300 -0.624 0.000 0.883 1122 R HN 1.091 nan 8.270 nan 0.000 0.457 1123 S N 0.369 115.949 115.700 -0.199 0.000 2.469 1123 S HA -0.039 4.434 4.470 0.005 0.000 0.238 1123 S C 1.272 175.814 174.600 -0.096 0.000 0.998 1123 S CA 0.532 58.659 58.200 -0.122 0.000 0.957 1123 S CB 0.027 63.181 63.200 -0.077 0.000 0.764 1123 S HN 0.400 nan 8.310 nan 0.000 0.514 1124 R N 0.987 121.427 120.500 -0.100 0.000 2.652 1124 R HA 0.313 4.656 4.340 0.005 0.000 0.372 1124 R C -0.521 175.745 176.300 -0.058 0.000 1.104 1124 R CA 0.306 56.368 56.100 -0.062 0.000 1.072 1124 R CB -0.280 29.997 30.300 -0.038 0.000 1.367 1124 R HN 0.398 nan 8.270 nan 0.000 0.577 1125 D N -0.402 119.940 120.400 -0.097 0.000 2.697 1125 D HA -0.152 4.491 4.640 0.005 0.000 0.238 1125 D C 0.446 176.788 176.300 0.070 0.000 1.152 1125 D CA 1.026 55.022 54.000 -0.007 0.000 0.666 1125 D CB -0.685 40.124 40.800 0.015 0.000 1.037 1125 D HN 0.452 nan 8.370 nan 0.000 0.423 1126 G N -0.373 108.439 108.800 0.020 0.000 2.525 1126 G HA2 0.600 4.562 3.960 0.005 0.000 0.276 1126 G HA3 0.600 4.562 3.960 0.005 0.000 0.276 1126 G C 0.658 175.695 174.900 0.229 0.000 1.388 1126 G CA -0.228 44.934 45.100 0.105 0.000 1.050 1126 G HN 0.559 nan 8.290 nan 0.000 0.520 1127 G N -2.040 106.844 108.800 0.141 0.000 2.644 1127 G HA2 0.583 4.545 3.960 0.005 0.000 0.307 1127 G HA3 0.583 4.545 3.960 0.005 0.000 0.307 1127 G C -1.255 173.702 174.900 0.095 0.000 1.250 1127 G CA -0.820 44.337 45.100 0.095 0.000 0.996 1127 G HN 0.529 nan 8.290 nan 0.000 0.489 1128 L N -0.115 121.141 121.223 0.055 0.000 2.342 1128 L HA 0.541 4.884 4.340 0.005 0.000 0.271 1128 L C 0.557 177.475 176.870 0.080 0.000 1.008 1128 L CA -0.892 53.987 54.840 0.065 0.000 0.818 1128 L CB 2.191 44.276 42.059 0.044 0.000 1.296 1128 L HN 0.451 nan 8.230 nan 0.000 0.427 1129 R N 1.838 122.390 120.500 0.086 0.000 2.267 1129 R HA 0.156 4.499 4.340 0.005 0.000 0.319 1129 R C -0.950 175.450 176.300 0.167 0.000 1.067 1129 R CA -0.431 55.727 56.100 0.097 0.000 0.936 1129 R CB 0.402 30.733 30.300 0.052 0.000 1.006 1129 R HN 0.361 nan 8.270 nan 0.000 0.452 1130 F N 4.979 124.924 119.950 -0.007 0.000 2.515 1130 F HA 0.319 4.849 4.527 0.005 0.000 0.353 1130 F C 0.480 176.277 175.800 -0.006 0.000 1.213 1130 F CA -0.857 57.139 58.000 -0.006 0.000 1.194 1130 F CB 0.224 39.211 39.000 -0.021 0.000 1.488 1130 F HN 0.634 nan 8.300 nan 0.000 0.619 1131 G N 4.067 112.750 108.800 -0.194 0.000 2.380 1131 G HA2 -0.029 3.933 3.960 0.005 0.000 0.242 1131 G HA3 -0.029 3.933 3.960 0.005 0.000 0.242 1131 G C 0.945 175.666 174.900 -0.298 0.000 1.298 1131 G CA -0.270 44.717 45.100 -0.189 0.000 0.878 1131 G HN 0.750 nan 8.290 nan 0.000 0.542 1132 E N 1.248 121.339 120.200 -0.182 0.000 2.132 1132 E HA -0.350 4.003 4.350 0.005 0.000 0.218 1132 E C 2.264 178.747 176.600 -0.196 0.000 1.058 1132 E CA 1.981 58.284 56.400 -0.163 0.000 0.882 1132 E CB -0.075 29.568 29.700 -0.094 0.000 0.774 1132 E HN 0.692 nan 8.360 nan 0.000 0.467 1133 M N 0.235 119.736 119.600 -0.164 0.000 2.195 1133 M HA -0.242 4.241 4.480 0.005 0.000 0.260 1133 M C 1.677 177.853 176.300 -0.208 0.000 1.066 1133 M CA 1.616 56.827 55.300 -0.148 0.000 1.089 1133 M CB 0.090 32.625 32.600 -0.109 0.000 1.377 1133 M HN -0.017 nan 8.290 nan 0.000 0.411 1134 E N -0.340 119.655 120.200 -0.342 0.000 2.076 1134 E HA -0.134 4.219 4.350 0.005 0.000 0.190 1134 E C 1.868 178.135 176.600 -0.555 0.000 0.979 1134 E CA 0.940 57.054 56.400 -0.476 0.000 0.807 1134 E CB -0.342 28.939 29.700 -0.699 0.000 0.761 1134 E HN 0.410 nan 8.360 nan 0.000 0.454 1135 R N 0.998 121.092 120.500 -0.677 0.000 2.134 1135 R HA -0.239 4.104 4.340 0.005 0.000 0.248 1135 R C 1.065 177.308 176.300 -0.094 0.000 1.143 1135 R CA 2.082 58.006 56.100 -0.293 0.000 0.957 1135 R CB -0.328 29.863 30.300 -0.182 0.000 0.867 1135 R HN 0.125 nan 8.270 nan 0.000 0.441 1136 D N -0.189 120.137 120.400 -0.123 0.000 2.228 1136 D HA -0.158 4.485 4.640 0.005 0.000 0.203 1136 D C 1.772 178.035 176.300 -0.062 0.000 0.988 1136 D CA 1.353 55.311 54.000 -0.071 0.000 0.864 1136 D CB -0.282 40.471 40.800 -0.078 0.000 0.928 1136 D HN 0.406 nan 8.370 nan 0.000 0.469 1137 C N -0.184 119.061 119.300 -0.092 0.000 2.533 1137 C HA 0.137 4.600 4.460 0.005 0.000 0.272 1137 C C 2.419 177.336 174.990 -0.121 0.000 1.371 1137 C CA -0.249 58.683 59.018 -0.143 0.000 1.758 1137 C CB -0.435 27.191 27.740 -0.191 0.000 1.972 1137 C HN 0.257 nan 8.230 nan 0.000 0.522 1138 M N 1.260 120.892 119.600 0.053 0.000 2.156 1138 M HA 0.059 4.542 4.480 0.005 0.000 0.264 1138 M C 1.957 178.355 176.300 0.164 0.000 1.067 1138 M CA 1.303 56.727 55.300 0.205 0.000 1.131 1138 M CB -1.151 31.721 32.600 0.454 0.000 1.368 1138 M HN 0.324 nan 8.290 nan 0.000 0.416 1139 I N 0.027 120.661 120.570 0.106 0.000 2.163 1139 I HA -0.282 3.891 4.170 0.005 0.000 0.243 1139 I C 2.553 178.714 176.117 0.074 0.000 1.085 1139 I CA 1.296 62.645 61.300 0.081 0.000 1.347 1139 I CB -0.848 37.180 38.000 0.046 0.000 1.044 1139 I HN 0.213 nan 8.210 nan 0.000 0.408 1140 A N 0.425 123.271 122.820 0.043 0.000 1.873 1140 A HA -0.287 4.036 4.320 0.005 0.000 0.218 1140 A C 2.181 179.849 177.584 0.141 0.000 1.193 1140 A CA 2.022 54.087 52.037 0.046 0.000 0.629 1140 A CB -1.059 17.927 19.000 -0.024 0.000 0.826 1140 A HN 0.426 nan 8.150 nan 0.000 0.447 1141 H N -0.947 118.140 119.070 0.028 0.000 2.518 1141 H HA 0.120 4.679 4.556 0.005 0.000 0.289 1141 H C 1.839 177.178 175.328 0.019 0.000 1.051 1141 H CA 0.568 56.625 56.048 0.015 0.000 1.280 1141 H CB -0.533 29.231 29.762 0.004 0.000 1.380 1141 H HN 0.717 nan 8.280 nan 0.000 0.566 1142 G N -0.590 108.307 108.800 0.162 0.000 2.168 1142 G HA2 -0.279 3.684 3.960 0.005 0.000 0.263 1142 G HA3 -0.279 3.684 3.960 0.005 0.000 0.263 1142 G C 0.514 175.477 174.900 0.105 0.000 0.977 1142 G CA 0.451 45.613 45.100 0.103 0.000 0.659 1142 G HN 0.748 nan 8.290 nan 0.000 0.533 1143 A N -0.096 122.810 122.820 0.143 0.000 2.437 1143 A HA 0.823 5.146 4.320 0.005 0.000 0.303 1143 A C 1.327 179.031 177.584 0.200 0.000 1.324 1143 A CA 1.001 53.123 52.037 0.141 0.000 0.983 1143 A CB 0.411 19.478 19.000 0.112 0.000 1.142 1143 A HN 1.634 nan 8.150 nan 0.000 0.541 1144 A N 1.986 124.895 122.820 0.150 0.000 1.942 1144 A HA 0.132 4.455 4.320 0.005 0.000 0.209 1144 A C 2.244 179.905 177.584 0.127 0.000 1.214 1144 A CA 1.325 53.442 52.037 0.134 0.000 0.686 1144 A CB -0.606 18.448 19.000 0.090 0.000 0.871 1144 A HN 0.706 nan 8.150 nan 0.000 0.460 1145 S N -1.082 114.689 115.700 0.118 0.000 2.419 1145 S HA -0.146 4.327 4.470 0.005 0.000 0.235 1145 S C 1.610 176.280 174.600 0.116 0.000 1.019 1145 S CA 1.612 59.869 58.200 0.096 0.000 0.982 1145 S CB -0.531 62.718 63.200 0.081 0.000 0.789 1145 S HN 0.587 nan 8.310 nan 0.000 0.490 1146 F N 1.336 121.292 119.950 0.011 0.000 2.163 1146 F HA 0.181 4.710 4.527 0.004 0.000 0.297 1146 F C 1.653 177.441 175.800 -0.021 0.000 1.094 1146 F CA 1.031 59.024 58.000 -0.011 0.000 1.290 1146 F CB -0.237 38.762 39.000 -0.001 0.000 1.017 1146 F HN 0.152 nan 8.300 nan 0.000 0.483 1147 L N 0.587 121.799 121.223 -0.017 0.000 2.610 1147 L HA -0.062 4.281 4.340 0.005 0.000 0.232 1147 L C 2.155 178.980 176.870 -0.076 0.000 1.149 1147 L CA 0.703 55.496 54.840 -0.077 0.000 0.872 1147 L CB -0.479 41.677 42.059 0.161 0.000 0.992 1147 L HN 0.244 nan 8.230 nan 0.000 0.447 1148 K N 0.103 120.463 120.400 -0.067 0.000 2.099 1148 K HA -0.177 4.146 4.320 0.005 0.000 0.203 1148 K C 1.795 178.333 176.600 -0.104 0.000 1.047 1148 K CA 0.828 57.086 56.287 -0.049 0.000 0.963 1148 K CB 0.163 32.658 32.500 -0.008 0.000 0.759 1148 K HN 0.274 nan 8.250 nan 0.000 0.451 1149 E N 0.448 120.555 120.200 -0.154 0.000 2.051 1149 E HA -0.173 4.180 4.350 0.005 0.000 0.192 1149 E C 2.028 178.470 176.600 -0.264 0.000 0.991 1149 E CA 0.824 57.117 56.400 -0.178 0.000 0.799 1149 E CB 0.183 29.788 29.700 -0.158 0.000 0.748 1149 E HN 0.098 nan 8.360 nan 0.000 0.449 1150 R N -0.041 120.177 120.500 -0.469 0.000 2.152 1150 R HA -0.096 4.246 4.340 0.005 0.000 0.232 1150 R C 1.702 177.837 176.300 -0.275 0.000 1.117 1150 R CA 0.643 56.421 56.100 -0.536 0.000 0.981 1150 R CB -0.179 29.511 30.300 -1.017 0.000 0.870 1150 R HN 0.225 nan 8.270 nan 0.000 0.451 1151 L N -0.823 120.296 121.223 -0.173 0.000 2.640 1151 L HA 0.163 4.506 4.340 0.005 0.000 0.230 1151 L C 1.321 178.165 176.870 -0.044 0.000 1.123 1151 L CA 0.559 55.366 54.840 -0.056 0.000 0.900 1151 L CB 0.217 42.275 42.059 -0.002 0.000 1.146 1151 L HN -0.001 nan 8.230 nan 0.000 0.484 1152 M N -1.962 117.593 119.600 -0.074 0.000 2.893 1152 M HA 0.177 4.660 4.480 0.005 0.000 0.201 1152 M C 1.756 178.017 176.300 -0.065 0.000 1.926 1152 M CA 0.483 55.751 55.300 -0.053 0.000 1.302 1152 M CB -0.457 32.111 32.600 -0.053 0.000 1.249 1152 M HN -0.169 nan 8.290 nan 0.000 0.599 1153 E N 1.650 121.798 120.200 -0.087 0.000 2.019 1153 E HA -0.043 4.310 4.350 0.005 0.000 0.208 1153 E C 0.863 177.419 176.600 -0.074 0.000 1.030 1153 E CA 1.486 57.837 56.400 -0.081 0.000 0.856 1153 E CB -0.889 28.758 29.700 -0.089 0.000 0.781 1153 E HN 0.487 nan 8.360 nan 0.000 0.471 1154 A N -0.309 122.453 122.820 -0.096 0.000 2.327 1154 A HA 0.417 4.740 4.320 0.005 0.000 0.255 1154 A C 1.032 178.579 177.584 -0.062 0.000 1.099 1154 A CA 0.586 52.573 52.037 -0.083 0.000 0.801 1154 A CB 0.324 19.256 19.000 -0.113 0.000 1.062 1154 A HN 0.350 nan 8.150 nan 0.000 0.496 1155 S N -0.135 115.540 115.700 -0.042 0.000 4.059 1155 S HA -0.261 4.212 4.470 0.005 0.000 0.624 1155 S C 0.566 175.157 174.600 -0.015 0.000 2.019 1155 S CA 2.159 60.346 58.200 -0.022 0.000 4.197 1155 S CB -2.239 60.955 63.200 -0.010 0.000 0.215 1155 S HN 0.964 nan 8.310 nan 0.000 0.609 1156 D N 1.076 121.481 120.400 0.008 0.000 2.182 1156 D HA 0.667 5.310 4.640 0.005 0.000 0.284 1156 D C 0.419 176.745 176.300 0.043 0.000 1.152 1156 D CA 1.060 55.084 54.000 0.041 0.000 1.032 1156 D CB -0.225 40.634 40.800 0.098 0.000 1.140 1156 D HN 1.770 nan 8.370 nan 0.000 0.505 1157 A N -0.925 121.959 122.820 0.107 0.000 2.433 1157 A HA 0.301 4.623 4.320 0.005 0.000 0.685 1157 A C -1.369 176.359 177.584 0.240 0.000 0.138 1157 A CA -0.726 51.375 52.037 0.107 0.000 0.028 1157 A CB -1.506 17.491 19.000 -0.004 0.000 3.971 1157 A HN 0.502 nan 8.150 nan 0.000 0.548 1158 F N 3.553 123.551 119.950 0.081 0.000 2.635 1158 F HA 0.717 5.247 4.527 0.005 0.000 0.314 1158 F C -0.506 175.385 175.800 0.152 0.000 1.119 1158 F CA -0.979 57.097 58.000 0.127 0.000 1.000 1158 F CB 1.363 40.495 39.000 0.220 0.000 1.278 1158 F HN 0.752 nan 8.300 nan 0.000 0.446 1159 R N 5.659 126.100 120.500 -0.098 0.000 2.204 1159 R HA 0.617 4.960 4.340 0.005 0.000 0.341 1159 R C -1.585 174.258 176.300 -0.762 0.000 1.035 1159 R CA -0.086 55.851 56.100 -0.273 0.000 0.887 1159 R CB 0.628 30.921 30.300 -0.012 0.000 1.114 1159 R HN 0.565 nan 8.270 nan 0.000 0.473 1160 V N 3.743 123.208 119.914 -0.749 0.000 3.093 1160 V HA 0.437 4.560 4.120 0.005 0.000 0.320 1160 V C -0.046 175.659 176.094 -0.647 0.000 1.093 1160 V CA -0.853 61.029 62.300 -0.696 0.000 1.016 1160 V CB 2.036 33.559 31.823 -0.500 0.000 1.096 1160 V HN 0.661 nan 8.190 nan 0.000 0.452 1161 H N 1.880 120.858 119.070 -0.153 0.000 2.538 1161 H HA 0.590 5.149 4.556 0.005 0.000 0.353 1161 H C -1.082 174.181 175.328 -0.109 0.000 1.109 1161 H CA -0.565 55.404 56.048 -0.131 0.000 1.192 1161 H CB 2.064 31.763 29.762 -0.105 0.000 1.555 1161 H HN 0.267 nan 8.280 nan 0.000 0.518 1162 I N 1.644 122.228 120.570 0.024 0.000 2.569 1162 I HA 0.078 4.250 4.170 0.005 0.000 0.296 1162 I C 0.401 176.492 176.117 -0.043 0.000 1.028 1162 I CA -0.534 60.748 61.300 -0.030 0.000 1.082 1162 I CB 2.156 40.125 38.000 -0.052 0.000 1.264 1162 I HN 0.543 nan 8.210 nan 0.000 0.429 1163 C N 4.387 123.646 119.300 -0.068 0.000 2.452 1163 C HA 0.492 4.955 4.460 0.005 0.000 0.379 1163 C C 1.788 176.718 174.990 -0.100 0.000 1.275 1163 C CA -0.155 58.817 59.018 -0.076 0.000 2.056 1163 C CB 0.274 27.976 27.740 -0.064 0.000 2.506 1163 C HN 1.021 nan 8.230 nan 0.000 0.560 1164 G N 4.836 113.611 108.800 -0.043 0.000 2.534 1164 G HA2 0.016 3.979 3.960 0.005 0.000 0.217 1164 G HA3 0.016 3.979 3.960 0.005 0.000 0.217 1164 G C 0.968 175.814 174.900 -0.090 0.000 1.128 1164 G CA 0.937 46.042 45.100 0.010 0.000 0.784 1164 G HN 0.728 nan 8.290 nan 0.000 0.542 1165 I N 0.446 120.969 120.570 -0.078 0.000 5.513 1165 I HA 0.137 4.310 4.170 0.005 0.000 0.233 1165 I C 1.701 177.796 176.117 -0.036 0.000 0.920 1165 I CA -0.383 60.899 61.300 -0.031 0.000 1.843 1165 I CB -1.386 36.617 38.000 0.005 0.000 1.466 1165 I HN 0.111 nan 8.210 nan 0.000 0.469 1166 C N 3.942 123.237 119.300 -0.007 0.000 2.738 1166 C HA 0.314 4.777 4.460 0.005 0.000 0.390 1166 C C 1.609 176.579 174.990 -0.033 0.000 1.311 1166 C CA -0.692 58.334 59.018 0.013 0.000 1.385 1166 C CB -1.820 25.927 27.740 0.011 0.000 2.175 1166 C HN 0.657 nan 8.230 nan 0.000 0.607 1167 G N 4.636 113.421 108.800 -0.025 0.000 3.318 1167 G HA2 0.222 4.185 3.960 0.005 0.000 0.212 1167 G HA3 0.222 4.185 3.960 0.005 0.000 0.212 1167 G C 0.304 175.149 174.900 -0.090 0.000 1.227 1167 G CA 0.074 45.085 45.100 -0.149 0.000 1.438 1167 G HN 0.854 nan 8.290 nan 0.000 0.525 1168 L N -1.683 119.499 121.223 -0.069 0.000 2.535 1168 L HA 0.555 4.898 4.340 0.005 0.000 0.259 1168 L C 1.216 178.059 176.870 -0.045 0.000 1.263 1168 L CA -1.085 53.720 54.840 -0.059 0.000 1.282 1168 L CB 1.025 43.067 42.059 -0.029 0.000 1.901 1168 L HN 0.018 nan 8.230 nan 0.000 0.572 1169 M N -0.385 119.204 119.600 -0.018 0.000 2.778 1169 M HA 0.134 4.617 4.480 0.005 0.000 0.359 1169 M C 0.586 176.903 176.300 0.029 0.000 1.216 1169 M CA -0.062 55.242 55.300 0.007 0.000 0.935 1169 M CB 0.359 32.972 32.600 0.021 0.000 1.330 1169 M HN 0.538 nan 8.290 nan 0.000 0.516 1170 T N -0.146 114.420 114.554 0.020 0.000 2.995 1170 T HA 0.006 4.359 4.350 0.005 0.000 0.269 1170 T C 0.936 175.660 174.700 0.039 0.000 1.091 1170 T CA 0.482 62.599 62.100 0.028 0.000 1.128 1170 T CB -0.215 68.664 68.868 0.018 0.000 0.891 1170 T HN 0.233 nan 8.240 nan 0.000 0.492 1171 V N 2.965 122.902 119.914 0.039 0.000 2.584 1171 V HA 0.033 4.156 4.120 0.005 0.000 0.303 1171 V C 0.404 176.548 176.094 0.082 0.000 1.035 1171 V CA 0.004 62.333 62.300 0.049 0.000 1.172 1171 V CB -0.569 31.275 31.823 0.035 0.000 0.896 1171 V HN 0.364 nan 8.190 nan 0.000 0.486 1172 I N 4.209 124.826 120.570 0.078 0.000 2.325 1172 I HA 0.371 4.544 4.170 0.005 0.000 0.291 1172 I C 0.930 177.113 176.117 0.109 0.000 1.019 1172 I CA -0.210 61.144 61.300 0.091 0.000 1.302 1172 I CB 1.255 39.295 38.000 0.067 0.000 1.401 1172 I HN 0.714 nan 8.210 nan 0.000 0.485 1173 A N 6.752 129.658 122.820 0.143 0.000 3.063 1173 A HA 0.132 4.455 4.320 0.005 0.000 0.263 1173 A C 0.663 178.301 177.584 0.091 0.000 1.736 1173 A CA -0.275 51.855 52.037 0.154 0.000 1.408 1173 A CB -0.743 18.434 19.000 0.294 0.000 1.108 1173 A HN 0.701 nan 8.150 nan 0.000 0.621 1174 K N 1.301 121.721 120.400 0.032 0.000 2.686 1174 K HA 0.148 4.470 4.320 0.005 0.000 0.244 1174 K C -0.247 176.288 176.600 -0.109 0.000 1.262 1174 K CA 0.052 56.337 56.287 -0.003 0.000 1.199 1174 K CB -0.356 32.148 32.500 0.006 0.000 1.428 1174 K HN 0.698 nan 8.250 nan 0.000 0.247 1175 L N 1.721 122.897 121.223 -0.080 0.000 2.360 1175 L HA 0.037 4.379 4.340 0.005 0.000 0.276 1175 L C 0.685 177.426 176.870 -0.214 0.000 1.121 1175 L CA 0.446 55.212 54.840 -0.123 0.000 0.845 1175 L CB 0.351 42.427 42.059 0.028 0.000 1.143 1175 L HN 0.660 nan 8.230 nan 0.000 0.452 1176 N N 1.037 119.569 118.700 -0.280 0.000 2.545 1176 N HA -0.199 4.544 4.740 0.005 0.000 0.151 1176 N C 0.420 175.680 175.510 -0.418 0.000 1.658 1176 N CA 0.730 53.560 53.050 -0.367 0.000 3.167 1176 N CB -0.709 37.477 38.487 -0.501 0.000 1.466 1176 N HN 0.737 nan 8.380 nan 0.000 1.093 1177 H N 1.242 120.229 119.070 -0.137 0.000 2.517 1177 H HA 0.412 4.971 4.556 0.005 0.000 0.282 1177 H C 0.593 175.790 175.328 -0.219 0.000 1.023 1177 H CA 0.529 56.492 56.048 -0.142 0.000 1.169 1177 H CB -0.181 29.512 29.762 -0.115 0.000 1.454 1177 H HN 0.416 nan 8.280 nan 0.000 0.556 1178 N N 0.737 119.276 118.700 -0.269 0.000 2.922 1178 N HA -0.233 4.510 4.740 0.005 0.000 0.231 1178 N C -0.202 174.868 175.510 -0.733 0.000 0.889 1178 N CA 0.744 53.511 53.050 -0.473 0.000 1.027 1178 N CB -0.632 37.715 38.487 -0.233 0.000 1.059 1178 N HN 0.515 nan 8.380 nan 0.000 0.613 1179 Q N -0.483 119.052 119.800 -0.442 0.000 2.289 1179 Q HA 0.143 4.486 4.340 0.005 0.000 0.273 1179 Q C 0.417 176.154 176.000 -0.439 0.000 1.029 1179 Q CA 0.424 56.033 55.803 -0.322 0.000 0.896 1179 Q CB 0.401 29.062 28.738 -0.127 0.000 1.182 1179 Q HN 0.310 nan 8.270 nan 0.000 0.385 1180 F N 0.491 120.396 119.950 -0.074 0.000 2.537 1180 F HA 0.094 4.624 4.527 0.005 0.000 0.275 1180 F C 0.034 175.782 175.800 -0.087 0.000 0.947 1180 F CA -0.514 57.416 58.000 -0.118 0.000 1.238 1180 F CB 0.678 39.578 39.000 -0.168 0.000 1.071 1180 F HN 0.490 nan 8.300 nan 0.000 0.749 1181 E N 0.758 121.033 120.200 0.125 0.000 5.482 1181 E HA -0.298 4.054 4.350 0.005 0.000 0.369 1181 E C -0.802 175.822 176.600 0.040 0.000 1.136 1181 E CA 0.083 56.515 56.400 0.053 0.000 1.145 1181 E CB -0.931 28.786 29.700 0.027 0.000 0.781 1181 E HN 0.358 nan 8.360 nan 0.000 0.338 1182 C N 5.462 124.773 119.300 0.019 0.000 2.203 1182 C HA 0.237 4.700 4.460 0.005 0.000 0.413 1182 C C 0.735 175.731 174.990 0.010 0.000 1.054 1182 C CA -0.626 58.398 59.018 0.010 0.000 1.496 1182 C CB -1.221 26.515 27.740 -0.006 0.000 1.573 1182 C HN 0.560 nan 8.230 nan 0.000 0.498 1183 K N 3.098 123.507 120.400 0.014 0.000 2.469 1183 K HA 0.463 4.785 4.320 0.005 0.000 0.274 1183 K C 1.228 177.834 176.600 0.011 0.000 0.983 1183 K CA 0.870 57.164 56.287 0.012 0.000 0.974 1183 K CB 0.259 32.766 32.500 0.013 0.000 0.913 1183 K HN 1.062 nan 8.250 nan 0.000 0.493 1184 G N 1.513 110.319 108.800 0.009 0.000 2.812 1184 G HA2 -0.337 3.625 3.960 0.005 0.000 0.219 1184 G HA3 -0.337 3.625 3.960 0.005 0.000 0.219 1184 G C 1.043 175.948 174.900 0.008 0.000 1.275 1184 G CA 0.082 45.188 45.100 0.010 0.000 0.769 1184 G HN 0.687 nan 8.290 nan 0.000 0.527 1185 C N 1.728 121.032 119.300 0.007 0.000 2.626 1185 C HA 0.369 4.832 4.460 0.005 0.000 0.266 1185 C C 1.507 176.500 174.990 0.004 0.000 1.317 1185 C CA 0.393 59.414 59.018 0.006 0.000 1.716 1185 C CB -1.089 26.653 27.740 0.002 0.000 1.819 1185 C HN 0.656 nan 8.230 nan 0.000 0.578 1186 D N 0.443 120.846 120.400 0.004 0.000 3.041 1186 D HA -0.173 4.470 4.640 0.005 0.000 0.214 1186 D C 0.170 176.470 176.300 0.001 0.000 1.153 1186 D CA 1.191 55.193 54.000 0.003 0.000 0.972 1186 D CB -1.156 39.646 40.800 0.003 0.000 1.126 1186 D HN 0.618 nan 8.370 nan 0.000 0.400 1187 N N 0.451 119.150 118.700 -0.002 0.000 2.488 1187 N HA 0.109 4.852 4.740 0.005 0.000 0.274 1187 N C 0.645 176.152 175.510 -0.004 0.000 1.111 1187 N CA 0.394 53.439 53.050 -0.008 0.000 0.974 1187 N CB 0.695 39.172 38.487 -0.017 0.000 1.089 1187 N HN 0.109 nan 8.380 nan 0.000 0.465 1188 K N 2.835 123.233 120.400 -0.004 0.000 2.517 1188 K HA 0.227 4.550 4.320 0.005 0.000 0.210 1188 K C 0.483 177.092 176.600 0.016 0.000 1.166 1188 K CA 0.084 56.380 56.287 0.015 0.000 1.030 1188 K CB 0.690 33.197 32.500 0.012 0.000 0.974 1188 K HN 0.486 nan 8.250 nan 0.000 0.585 1189 I N -1.044 119.510 120.570 -0.026 0.000 3.873 1189 I HA 0.096 4.269 4.170 0.005 0.000 0.284 1189 I C -0.049 175.972 176.117 -0.159 0.000 1.186 1189 I CA -0.169 61.096 61.300 -0.059 0.000 1.362 1189 I CB 0.245 38.219 38.000 -0.044 0.000 1.432 1189 I HN -0.181 nan 8.210 nan 0.000 0.454 1190 D N 3.672 123.988 120.400 -0.139 0.000 2.398 1190 D HA 0.454 5.097 4.640 0.005 0.000 0.250 1190 D C -0.508 175.629 176.300 -0.272 0.000 1.287 1190 D CA 0.847 54.730 54.000 -0.195 0.000 0.992 1190 D CB 0.523 41.289 40.800 -0.056 0.000 1.071 1190 D HN 0.151 nan 8.370 nan 0.000 0.514 1191 I N 1.900 122.132 120.570 -0.563 0.000 2.787 1191 I HA 0.249 4.422 4.170 0.005 0.000 0.294 1191 I C -1.339 174.314 176.117 -0.773 0.000 1.365 1191 I CA -0.675 60.326 61.300 -0.499 0.000 1.029 1191 I CB 1.904 39.656 38.000 -0.414 0.000 1.313 1191 I HN 0.054 nan 8.210 nan 0.000 0.431 1192 Y N 3.319 123.503 120.300 -0.192 0.000 2.512 1192 Y HA 0.542 5.095 4.550 0.005 0.000 0.348 1192 Y C -0.390 175.435 175.900 -0.126 0.000 0.990 1192 Y CA -0.691 57.312 58.100 -0.162 0.000 1.033 1192 Y CB 1.956 40.330 38.460 -0.143 0.000 1.259 1192 Y HN 0.391 nan 8.280 nan 0.000 0.461 1193 Q N 4.470 124.281 119.800 0.018 0.000 2.256 1193 Q HA 0.663 5.006 4.340 0.005 0.000 0.257 1193 Q C -1.226 174.658 176.000 -0.193 0.000 0.936 1193 Q CA -0.749 55.003 55.803 -0.085 0.000 0.903 1193 Q CB 1.449 30.140 28.738 -0.077 0.000 1.263 1193 Q HN 0.724 nan 8.270 nan 0.000 0.440 1194 I N 0.876 121.272 120.570 -0.290 0.000 2.994 1194 I HA 0.477 4.650 4.170 0.005 0.000 0.306 1194 I C -1.893 174.050 176.117 -0.291 0.000 1.195 1194 I CA -0.712 60.423 61.300 -0.275 0.000 1.001 1194 I CB 2.305 40.229 38.000 -0.127 0.000 1.244 1194 I HN 0.727 nan 8.210 nan 0.000 0.437 1195 H N 6.302 125.342 119.070 -0.050 0.000 2.587 1195 H HA 0.666 5.225 4.556 0.005 0.000 0.325 1195 H C -0.173 175.157 175.328 0.003 0.000 1.012 1195 H CA -0.374 55.655 56.048 -0.031 0.000 1.213 1195 H CB 1.709 31.467 29.762 -0.007 0.000 1.431 1195 H HN 0.660 nan 8.280 nan 0.000 0.492 1196 I N 0.179 120.839 120.570 0.150 0.000 3.074 1196 I HA 0.577 4.750 4.170 0.005 0.000 0.310 1196 I C -3.088 173.113 176.117 0.138 0.000 1.153 1196 I CA -2.968 58.406 61.300 0.122 0.000 0.993 1196 I CB 2.330 40.400 38.000 0.116 0.000 1.237 1196 I HN 0.111 nan 8.210 nan 0.000 0.443 1197 P HA 0.091 nan 4.420 nan 0.000 0.267 1197 P C 0.220 177.625 177.300 0.176 0.000 1.205 1197 P CA 0.316 63.487 63.100 0.119 0.000 0.765 1197 P CB 0.220 31.951 31.700 0.053 0.000 0.828 1198 Y N 4.716 125.100 120.300 0.139 0.000 2.193 1198 Y HA -0.328 4.225 4.550 0.006 0.000 0.285 1198 Y C 2.221 178.155 175.900 0.056 0.000 1.166 1198 Y CA 2.199 60.401 58.100 0.170 0.000 1.181 1198 Y CB -0.607 37.861 38.460 0.013 0.000 0.976 1198 Y HN 0.449 nan 8.280 nan 0.000 0.520 1199 A N 0.352 123.270 122.820 0.162 0.000 2.042 1199 A HA -0.234 4.089 4.320 0.005 0.000 0.222 1199 A C 2.341 179.840 177.584 -0.143 0.000 1.167 1199 A CA 2.016 54.071 52.037 0.030 0.000 0.649 1199 A CB -1.415 17.604 19.000 0.032 0.000 0.809 1199 A HN 0.661 nan 8.150 nan 0.000 0.457 1200 A N -0.156 122.543 122.820 -0.202 0.000 1.831 1200 A HA -0.072 4.251 4.320 0.005 0.000 0.213 1200 A C 2.104 179.366 177.584 -0.536 0.000 1.223 1200 A CA 1.750 53.492 52.037 -0.492 0.000 0.604 1200 A CB -0.591 18.125 19.000 -0.474 0.000 0.878 1200 A HN 0.403 nan 8.150 nan 0.000 0.450 1201 K N -0.261 120.004 120.400 -0.225 0.000 2.184 1201 K HA -0.234 4.089 4.320 0.005 0.000 0.210 1201 K C 1.813 178.321 176.600 -0.153 0.000 1.048 1201 K CA 1.948 58.198 56.287 -0.061 0.000 0.931 1201 K CB -0.510 31.953 32.500 -0.062 0.000 0.718 1201 K HN 0.397 nan 8.250 nan 0.000 0.465 1202 L N 0.910 121.946 121.223 -0.313 0.000 1.973 1202 L HA -0.176 4.167 4.340 0.005 0.000 0.208 1202 L C 2.698 179.497 176.870 -0.118 0.000 1.073 1202 L CA 1.392 56.103 54.840 -0.216 0.000 0.746 1202 L CB -1.102 40.847 42.059 -0.183 0.000 0.891 1202 L HN 0.307 nan 8.230 nan 0.000 0.433 1203 L N -0.023 121.089 121.223 -0.186 0.000 2.034 1203 L HA -0.303 4.040 4.340 0.005 0.000 0.217 1203 L C 2.380 179.232 176.870 -0.031 0.000 1.077 1203 L CA 2.089 56.830 54.840 -0.165 0.000 0.769 1203 L CB -0.860 41.017 42.059 -0.303 0.000 0.890 1203 L HN 0.161 nan 8.230 nan 0.000 0.435 1204 F N -1.032 118.903 119.950 -0.025 0.000 2.113 1204 F HA -0.244 4.286 4.527 0.005 0.000 0.297 1204 F C 2.658 178.449 175.800 -0.014 0.000 1.103 1204 F CA 1.121 59.111 58.000 -0.017 0.000 1.248 1204 F CB -0.322 38.665 39.000 -0.021 0.000 0.999 1204 F HN 0.181 nan 8.300 nan 0.000 0.475 1205 Q N 0.545 120.447 119.800 0.171 0.000 2.020 1205 Q HA -0.234 4.109 4.340 0.005 0.000 0.202 1205 Q C 2.030 178.074 176.000 0.074 0.000 0.982 1205 Q CA 1.964 57.824 55.803 0.095 0.000 0.838 1205 Q CB -0.203 28.566 28.738 0.051 0.000 0.899 1205 Q HN 0.452 nan 8.270 nan 0.000 0.423 1206 E N 0.465 120.698 120.200 0.055 0.000 2.086 1206 E HA -0.248 4.105 4.350 0.005 0.000 0.200 1206 E C 2.091 178.724 176.600 0.056 0.000 1.012 1206 E CA 1.206 57.633 56.400 0.045 0.000 0.812 1206 E CB -0.272 29.445 29.700 0.030 0.000 0.743 1206 E HN 0.323 nan 8.360 nan 0.000 0.453 1207 L N 0.155 121.427 121.223 0.081 0.000 1.990 1207 L HA -0.279 4.063 4.340 0.005 0.000 0.213 1207 L C 2.666 179.576 176.870 0.066 0.000 1.072 1207 L CA 1.450 56.341 54.840 0.085 0.000 0.755 1207 L CB -0.354 41.787 42.059 0.136 0.000 0.889 1207 L HN 0.272 nan 8.230 nan 0.000 0.432 1208 M N -0.959 118.682 119.600 0.069 0.000 2.106 1208 M HA -0.237 4.246 4.480 0.005 0.000 0.259 1208 M C 2.372 178.696 176.300 0.039 0.000 1.068 1208 M CA 2.056 57.385 55.300 0.048 0.000 1.100 1208 M CB -0.483 32.146 32.600 0.047 0.000 1.351 1208 M HN 0.337 nan 8.290 nan 0.000 0.404 1209 A N -0.552 122.293 122.820 0.042 0.000 2.015 1209 A HA -0.124 4.199 4.320 0.005 0.000 0.219 1209 A C 2.028 179.630 177.584 0.031 0.000 1.163 1209 A CA 1.271 53.329 52.037 0.035 0.000 0.646 1209 A CB -0.616 18.405 19.000 0.035 0.000 0.806 1209 A HN 0.528 nan 8.150 nan 0.000 0.448 1210 M N -0.296 119.324 119.600 0.033 0.000 2.639 1210 M HA 0.095 4.578 4.480 0.005 0.000 0.220 1210 M C 0.459 176.774 176.300 0.026 0.000 1.155 1210 M CA 0.208 55.525 55.300 0.029 0.000 1.003 1210 M CB -0.446 32.172 32.600 0.031 0.000 1.725 1210 M HN 0.587 nan 8.290 nan 0.000 0.489 1211 N N 0.910 119.626 118.700 0.026 0.000 2.776 1211 N HA -0.167 4.575 4.740 0.005 0.000 0.249 1211 N C -1.104 174.418 175.510 0.021 0.000 1.111 1211 N CA 0.379 53.442 53.050 0.022 0.000 0.711 1211 N CB -0.612 37.886 38.487 0.018 0.000 1.065 1211 N HN 0.391 nan 8.380 nan 0.000 0.556 1212 I N 1.438 122.023 120.570 0.025 0.000 2.465 1212 I HA 0.165 4.338 4.170 0.005 0.000 0.291 1212 I C 0.517 176.646 176.117 0.019 0.000 1.014 1212 I CA -0.574 60.740 61.300 0.023 0.000 1.093 1212 I CB 1.955 39.973 38.000 0.029 0.000 1.267 1212 I HN 0.027 nan 8.210 nan 0.000 0.431 1213 T N 3.393 117.952 114.554 0.008 0.000 2.747 1213 T HA 0.436 4.789 4.350 0.005 0.000 0.301 1213 T C -2.334 172.350 174.700 -0.027 0.000 0.952 1213 T CA -1.625 60.472 62.100 -0.005 0.000 0.983 1213 T CB 0.509 69.377 68.868 -0.000 0.000 0.930 1213 T HN 0.313 nan 8.240 nan 0.000 0.494 1214 P HA 0.338 nan 4.420 nan 0.000 0.273 1214 P C -0.291 176.883 177.300 -0.211 0.000 1.531 1214 P CA -0.723 62.292 63.100 -0.142 0.000 1.027 1214 P CB 0.561 32.141 31.700 -0.200 0.000 1.387 1215 R N 3.053 123.498 120.500 -0.092 0.000 2.491 1215 R HA 0.340 4.682 4.340 0.005 0.000 0.283 1215 R C 0.084 176.393 176.300 0.015 0.000 1.072 1215 R CA -0.450 55.664 56.100 0.023 0.000 1.048 1215 R CB 0.444 30.852 30.300 0.181 0.000 0.983 1215 R HN 0.530 nan 8.270 nan 0.000 0.450 1216 L N 4.654 125.879 121.223 0.003 0.000 2.295 1216 L HA 0.365 4.708 4.340 0.005 0.000 0.281 1216 L C -0.780 176.112 176.870 0.037 0.000 1.018 1216 L CA -0.574 54.247 54.840 -0.032 0.000 0.841 1216 L CB 0.444 42.406 42.059 -0.162 0.000 1.218 1216 L HN 0.399 nan 8.230 nan 0.000 0.424 1217 Y N 0.382 120.619 120.300 -0.105 0.000 2.509 1217 Y HA 0.348 4.901 4.550 0.005 0.000 0.341 1217 Y C 1.330 177.155 175.900 -0.124 0.000 1.038 1217 Y CA -0.853 57.184 58.100 -0.105 0.000 1.089 1217 Y CB 2.132 40.541 38.460 -0.085 0.000 1.241 1217 Y HN 0.579 nan 8.280 nan 0.000 0.468 1218 T N -3.183 111.323 114.554 -0.080 0.000 3.042 1218 T HA 0.097 4.450 4.350 0.005 0.000 0.245 1218 T C -0.130 174.498 174.700 -0.121 0.000 1.029 1218 T CA 0.197 62.194 62.100 -0.171 0.000 1.120 1218 T CB -0.319 68.302 68.868 -0.412 0.000 0.917 1218 T HN 0.566 nan 8.240 nan 0.000 0.467 1219 D N 0.617 120.963 120.400 -0.090 0.000 2.225 1219 D HA 0.387 5.030 4.640 0.005 0.000 0.249 1219 D C 1.079 177.371 176.300 -0.014 0.000 1.052 1219 D CA -1.001 52.965 54.000 -0.056 0.000 0.909 1219 D CB 1.170 41.934 40.800 -0.061 0.000 1.186 1219 D HN -0.302 nan 8.370 nan 0.000 0.431 1220 R N 0.883 121.374 120.500 -0.015 0.000 2.159 1220 R HA -0.031 4.312 4.340 0.005 0.000 0.237 1220 R C 0.166 176.463 176.300 -0.004 0.000 1.131 1220 R CA 0.506 56.602 56.100 -0.007 0.000 0.982 1220 R CB -0.436 29.860 30.300 -0.006 0.000 0.868 1220 R HN 0.488 nan 8.270 nan 0.000 0.453 1221 S N 0.130 115.830 115.700 -0.001 0.000 2.585 1221 S HA 0.189 4.662 4.470 0.005 0.000 0.273 1221 S C 1.221 175.821 174.600 0.000 0.000 1.339 1221 S CA -0.481 57.722 58.200 0.004 0.000 1.028 1221 S CB 1.647 64.852 63.200 0.008 0.000 0.906 1221 S HN 0.148 nan 8.310 nan 0.000 0.528 1222 R N 1.500 122.004 120.500 0.007 0.000 1.583 1222 R HA 0.193 4.536 4.340 0.005 0.000 0.123 1222 R C 0.254 176.565 176.300 0.019 0.000 1.213 1222 R CA 0.669 56.770 56.100 0.001 0.000 1.768 1222 R CB -0.335 29.979 30.300 0.023 0.000 0.787 1222 R HN 0.679 nan 8.270 nan 0.000 0.619 1223 D N -2.613 117.822 120.400 0.058 0.000 2.148 1223 D HA 0.105 4.748 4.640 0.005 0.000 0.577 1223 D C -0.560 175.795 176.300 0.091 0.000 0.879 1223 D CA -0.220 53.817 54.000 0.061 0.000 1.108 1223 D CB 0.292 41.123 40.800 0.052 0.000 1.442 1223 D HN -0.001 nan 8.370 nan 0.000 0.437 1224 F N 0.000 119.942 119.950 -0.014 0.000 2.286 1224 F HA 0.000 4.530 4.527 0.005 0.000 0.279 1224 F CA 0.000 57.993 58.000 -0.011 0.000 1.383 1224 F CB 0.000 38.992 39.000 -0.013 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574