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 1r9s_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 ALATGNWGXX DATA SEQUENCE XXXXXXXAGV 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 0.000 176.280 176.300 -0.034 0.000 2.045 20 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 20 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 21 E N -0.266 119.902 120.200 -0.054 0.000 2.511 21 E HA 0.007 4.362 4.350 0.008 0.000 0.196 21 E C 0.493 177.035 176.600 -0.097 0.000 1.066 21 E CA 0.469 56.816 56.400 -0.087 0.000 0.871 21 E CB 0.178 29.805 29.700 -0.122 0.000 0.863 21 E HN 0.115 nan 8.360 nan 0.000 0.520 22 S N 0.707 116.371 115.700 -0.060 0.000 2.470 22 S HA 0.224 4.699 4.470 0.008 0.000 0.222 22 S C 1.100 175.687 174.600 -0.021 0.000 1.024 22 S CA 0.135 58.308 58.200 -0.045 0.000 0.931 22 S CB 0.212 63.392 63.200 -0.034 0.000 0.791 22 S HN 0.507 nan 8.310 nan 0.000 0.513 23 A N 3.624 126.436 122.820 -0.014 0.000 2.609 23 A HA 0.202 4.527 4.320 0.008 0.000 0.235 23 A C -1.677 175.914 177.584 0.011 0.000 1.092 23 A CA -0.405 51.634 52.037 0.003 0.000 0.780 23 A CB -0.475 18.527 19.000 0.004 0.000 1.031 23 A HN 0.219 nan 8.150 nan 0.000 0.515 24 P HA 0.474 nan 4.420 nan 0.000 0.297 24 P C -0.439 176.861 177.300 -0.001 0.000 1.303 24 P CA -0.176 62.933 63.100 0.015 0.000 0.753 24 P CB 0.547 32.268 31.700 0.036 0.000 1.281 25 I N -1.425 119.125 120.570 -0.033 0.000 3.133 25 I HA 0.473 4.647 4.170 0.008 0.000 0.311 25 I C 0.751 176.847 176.117 -0.036 0.000 1.072 25 I CA -0.721 60.555 61.300 -0.041 0.000 1.015 25 I CB 1.788 39.721 38.000 -0.113 0.000 1.233 25 I HN 0.358 nan 8.210 nan 0.000 0.473 26 T N -1.320 113.230 114.554 -0.008 0.000 2.926 26 T HA 0.646 5.001 4.350 0.008 0.000 0.289 26 T C 0.674 175.394 174.700 0.034 0.000 1.054 26 T CA -0.225 61.883 62.100 0.014 0.000 1.015 26 T CB 1.718 70.614 68.868 0.046 0.000 1.167 26 T HN 0.644 nan 8.240 nan 0.000 0.526 27 A N 0.931 123.787 122.820 0.060 0.000 1.848 27 A HA -0.167 4.158 4.320 0.008 0.000 0.217 27 A C 2.142 179.856 177.584 0.216 0.000 1.220 27 A CA 2.527 54.631 52.037 0.112 0.000 0.645 27 A CB -1.688 17.395 19.000 0.139 0.000 0.842 27 A HN 1.094 nan 8.150 nan 0.000 0.451 28 E N 0.250 120.609 120.200 0.265 0.000 2.236 28 E HA -0.262 4.093 4.350 0.008 0.000 0.205 28 E C 1.306 178.111 176.600 0.341 0.000 1.028 28 E CA 2.006 58.615 56.400 0.350 0.000 0.827 28 E CB -0.480 29.360 29.700 0.233 0.000 0.735 28 E HN 0.577 nan 8.360 nan 0.000 0.470 29 D N -1.092 119.439 120.400 0.219 0.000 2.348 29 D HA -0.052 4.592 4.640 0.008 0.000 0.216 29 D C 1.724 178.153 176.300 0.215 0.000 0.970 29 D CA 1.068 55.184 54.000 0.194 0.000 0.889 29 D CB -0.095 40.772 40.800 0.112 0.000 0.912 29 D HN 0.373 nan 8.370 nan 0.000 0.524 30 S N -0.833 114.986 115.700 0.199 0.000 2.406 30 S HA -0.158 4.316 4.470 0.008 0.000 0.228 30 S C 1.933 176.607 174.600 0.123 0.000 1.020 30 S CA 0.196 58.517 58.200 0.203 0.000 0.965 30 S CB -0.919 62.384 63.200 0.172 0.000 0.798 30 S HN 0.338 nan 8.310 nan 0.000 0.488 31 W N 2.386 123.844 121.300 0.262 0.000 2.341 31 W HA 0.006 4.671 4.660 0.008 0.000 0.283 31 W C 2.857 179.528 176.519 0.252 0.000 1.215 31 W CA 0.832 58.312 57.345 0.226 0.000 1.211 31 W CB -0.485 29.093 29.460 0.195 0.000 1.131 31 W HN 0.454 nan 8.180 nan 0.000 0.552 32 A N -0.268 122.802 122.820 0.416 0.000 1.873 32 A HA -0.158 4.166 4.320 0.008 0.000 0.215 32 A C 1.998 179.783 177.584 0.335 0.000 1.186 32 A CA 1.943 54.197 52.037 0.361 0.000 0.616 32 A CB -1.133 18.052 19.000 0.308 0.000 0.823 32 A HN 0.068 nan 8.150 nan 0.000 0.442 33 V N 0.433 120.547 119.914 0.332 0.000 2.469 33 V HA -0.292 3.833 4.120 0.008 0.000 0.251 33 V C 2.370 178.624 176.094 0.266 0.000 1.064 33 V CA 2.033 64.552 62.300 0.364 0.000 1.066 33 V CB -0.716 31.383 31.823 0.459 0.000 0.667 33 V HN 0.561 nan 8.190 nan 0.000 0.461 34 I N -0.516 120.133 120.570 0.130 0.000 2.193 34 I HA -0.175 4.000 4.170 0.008 0.000 0.240 34 I C 2.585 178.731 176.117 0.050 0.000 1.084 34 I CA 1.430 62.698 61.300 -0.053 0.000 1.365 34 I CB -0.496 37.429 38.000 -0.125 0.000 1.064 34 I HN 0.248 nan 8.210 nan 0.000 0.410 35 S N 1.150 116.991 115.700 0.234 0.000 2.359 35 S HA -0.257 4.218 4.470 0.008 0.000 0.223 35 S C 2.337 177.112 174.600 0.292 0.000 1.039 35 S CA 1.516 59.954 58.200 0.397 0.000 1.042 35 S CB -0.623 62.891 63.200 0.524 0.000 0.915 35 S HN 0.546 nan 8.310 nan 0.000 0.439 36 A N 1.145 124.136 122.820 0.286 0.000 1.954 36 A HA -0.248 4.077 4.320 0.008 0.000 0.222 36 A C 1.900 179.597 177.584 0.190 0.000 1.199 36 A CA 2.182 54.389 52.037 0.283 0.000 0.657 36 A CB -1.101 18.121 19.000 0.371 0.000 0.823 36 A HN 0.506 nan 8.150 nan 0.000 0.463 37 F N -0.666 119.151 119.950 -0.222 0.000 2.051 37 F HA -0.141 4.390 4.527 0.008 0.000 0.296 37 F C 2.030 177.417 175.800 -0.690 0.000 1.122 37 F CA 2.138 59.566 58.000 -0.955 0.000 1.201 37 F CB -0.484 37.623 39.000 -1.488 0.000 0.978 37 F HN 0.221 nan 8.300 nan 0.000 0.472 38 F N 0.441 120.323 119.950 -0.114 0.000 2.171 38 F HA -0.106 4.426 4.527 0.008 0.000 0.300 38 F C 2.477 178.234 175.800 -0.072 0.000 1.090 38 F CA 1.313 59.251 58.000 -0.103 0.000 1.293 38 F CB -0.700 38.325 39.000 0.041 0.000 1.013 38 F HN -0.182 nan 8.300 nan 0.000 0.486 39 R N 0.124 120.725 120.500 0.167 0.000 2.211 39 R HA -0.217 4.128 4.340 0.008 0.000 0.240 39 R C 1.934 178.251 176.300 0.028 0.000 1.144 39 R CA 1.672 57.847 56.100 0.125 0.000 0.992 39 R CB -0.337 30.052 30.300 0.150 0.000 0.869 39 R HN 0.467 nan 8.270 nan 0.000 0.462 40 E N 0.040 120.189 120.200 -0.084 0.000 2.372 40 E HA -0.015 4.340 4.350 0.008 0.000 0.201 40 E C 1.220 177.686 176.600 -0.223 0.000 0.938 40 E CA 0.102 56.431 56.400 -0.119 0.000 0.944 40 E CB 0.502 30.161 29.700 -0.068 0.000 0.937 40 E HN 0.116 nan 8.360 nan 0.000 0.495 41 K N 0.134 120.279 120.400 -0.426 0.000 2.287 41 K HA 0.248 4.573 4.320 0.008 0.000 0.199 41 K C 0.808 177.292 176.600 -0.193 0.000 1.061 41 K CA 0.596 56.618 56.287 -0.441 0.000 0.976 41 K CB 1.009 32.941 32.500 -0.947 0.000 0.898 41 K HN 0.184 nan 8.250 nan 0.000 0.492 42 G N 1.816 110.589 108.800 -0.044 0.000 2.829 42 G HA2 -0.247 3.718 3.960 0.008 0.000 0.628 42 G HA3 -0.247 3.718 3.960 0.008 0.000 0.628 42 G C 0.114 175.144 174.900 0.216 0.000 1.412 42 G CA -0.513 44.669 45.100 0.136 0.000 0.864 42 G HN 0.169 nan 8.290 nan 0.000 0.544 43 L N -0.132 121.225 121.223 0.223 0.000 2.672 43 L HA 0.323 4.668 4.340 0.008 0.000 0.236 43 L C 1.689 178.612 176.870 0.089 0.000 1.186 43 L CA 0.638 55.602 54.840 0.208 0.000 0.977 43 L CB -0.458 41.684 42.059 0.139 0.000 1.203 43 L HN 1.027 nan 8.230 nan 0.000 0.448 44 V N -5.993 113.947 119.914 0.043 0.000 3.537 44 V HA 0.107 4.232 4.120 0.008 0.000 0.315 44 V C 1.784 177.858 176.094 -0.033 0.000 1.541 44 V CA 0.350 62.649 62.300 -0.002 0.000 1.160 44 V CB 0.155 31.975 31.823 -0.005 0.000 0.998 44 V HN 0.285 nan 8.190 nan 0.000 0.473 45 S N 2.197 117.866 115.700 -0.052 0.000 2.400 45 S HA -0.437 4.038 4.470 0.008 0.000 0.234 45 S C 1.921 176.481 174.600 -0.067 0.000 1.049 45 S CA 2.404 60.556 58.200 -0.079 0.000 1.039 45 S CB -0.862 62.250 63.200 -0.147 0.000 0.856 45 S HN 0.962 nan 8.310 nan 0.000 0.465 46 Q N 0.991 120.746 119.800 -0.075 0.000 2.096 46 Q HA -0.260 4.085 4.340 0.008 0.000 0.208 46 Q C 2.236 178.210 176.000 -0.044 0.000 0.993 46 Q CA 1.705 57.465 55.803 -0.073 0.000 0.862 46 Q CB -0.528 28.163 28.738 -0.078 0.000 0.915 46 Q HN 0.498 nan 8.270 nan 0.000 0.416 47 Q N 0.913 120.685 119.800 -0.047 0.000 1.916 47 Q HA -0.055 4.290 4.340 0.008 0.000 0.203 47 Q C 2.496 178.490 176.000 -0.009 0.000 0.983 47 Q CA 1.585 57.358 55.803 -0.050 0.000 0.846 47 Q CB -0.547 28.134 28.738 -0.095 0.000 0.909 47 Q HN 0.466 nan 8.270 nan 0.000 0.427 48 L N 1.073 122.286 121.223 -0.016 0.000 1.976 48 L HA -0.291 4.053 4.340 0.008 0.000 0.223 48 L C 2.142 179.060 176.870 0.081 0.000 1.081 48 L CA 1.797 56.662 54.840 0.041 0.000 0.784 48 L CB -1.116 40.947 42.059 0.008 0.000 0.896 48 L HN 0.184 nan 8.230 nan 0.000 0.438 49 D N -0.329 120.087 120.400 0.027 0.000 2.170 49 D HA -0.227 4.418 4.640 0.008 0.000 0.193 49 D C 2.349 178.676 176.300 0.045 0.000 1.004 49 D CA 1.777 55.788 54.000 0.018 0.000 0.860 49 D CB -0.246 40.547 40.800 -0.012 0.000 0.931 49 D HN 0.250 nan 8.370 nan 0.000 0.448 50 S N -1.138 114.601 115.700 0.064 0.000 2.343 50 S HA -0.174 4.301 4.470 0.008 0.000 0.219 50 S C 1.824 176.539 174.600 0.191 0.000 1.033 50 S CA 0.734 58.992 58.200 0.095 0.000 1.014 50 S CB -0.585 62.664 63.200 0.081 0.000 0.915 50 S HN 0.207 nan 8.310 nan 0.000 0.435 51 F N 3.675 123.657 119.950 0.053 0.000 2.027 51 F HA -0.175 4.357 4.527 0.008 0.000 0.297 51 F C 2.235 178.122 175.800 0.146 0.000 1.129 51 F CA 2.188 60.260 58.000 0.120 0.000 1.195 51 F CB -1.176 37.880 39.000 0.092 0.000 0.960 51 F HN 0.295 nan 8.300 nan 0.000 0.485 52 N N 0.258 119.004 118.700 0.077 0.000 2.096 52 N HA -0.291 4.454 4.740 0.008 0.000 0.195 52 N C 1.833 177.307 175.510 -0.060 0.000 1.017 52 N CA 1.757 54.769 53.050 -0.064 0.000 0.870 52 N CB -0.701 37.789 38.487 0.006 0.000 1.024 52 N HN 0.412 nan 8.380 nan 0.000 0.434 53 Q N 0.574 120.366 119.800 -0.012 0.000 2.124 53 Q HA -0.088 4.257 4.340 0.008 0.000 0.202 53 Q C 1.777 177.789 176.000 0.020 0.000 0.977 53 Q CA 1.097 56.872 55.803 -0.046 0.000 0.850 53 Q CB -0.585 28.126 28.738 -0.045 0.000 0.901 53 Q HN 0.359 nan 8.270 nan 0.000 0.429 54 F N -0.334 119.543 119.950 -0.121 0.000 1.990 54 F HA -0.189 4.343 4.527 0.008 0.000 0.294 54 F C 2.025 177.674 175.800 -0.251 0.000 1.177 54 F CA 1.673 59.581 58.000 -0.152 0.000 1.167 54 F CB -1.020 37.915 39.000 -0.109 0.000 0.971 54 F HN -0.051 nan 8.300 nan 0.000 0.483 55 V N 1.341 121.013 119.914 -0.404 0.000 2.232 55 V HA -0.471 3.653 4.120 0.008 0.000 0.254 55 V C 2.299 178.162 176.094 -0.384 0.000 1.058 55 V CA 2.484 64.465 62.300 -0.532 0.000 1.048 55 V CB -0.945 30.565 31.823 -0.522 0.000 0.668 55 V HN 0.430 nan 8.190 nan 0.000 0.462 56 D N -1.666 118.625 120.400 -0.181 0.000 2.127 56 D HA -0.190 4.455 4.640 0.008 0.000 0.190 56 D C 1.830 178.086 176.300 -0.073 0.000 1.000 56 D CA 2.368 56.343 54.000 -0.041 0.000 0.839 56 D CB -0.257 40.703 40.800 0.266 0.000 0.955 56 D HN 0.651 nan 8.370 nan 0.000 0.446 57 Y N -0.314 119.840 120.300 -0.243 0.000 2.624 57 Y HA 0.133 4.688 4.550 0.008 0.000 0.260 57 Y C 2.633 178.368 175.900 -0.276 0.000 1.090 57 Y CA 0.461 58.431 58.100 -0.216 0.000 1.347 57 Y CB -0.975 37.404 38.460 -0.135 0.000 1.349 57 Y HN -0.176 nan 8.280 nan 0.000 0.502 58 T N 2.019 116.539 114.554 -0.057 0.000 2.684 58 T HA -0.267 4.088 4.350 0.008 0.000 0.267 58 T C 1.911 176.337 174.700 -0.457 0.000 1.032 58 T CA 2.096 64.094 62.100 -0.169 0.000 1.155 58 T CB -0.700 68.152 68.868 -0.026 0.000 0.857 58 T HN 0.121 nan 8.240 nan 0.000 0.457 59 L N 0.874 121.620 121.223 -0.794 0.000 2.056 59 L HA -0.001 4.344 4.340 0.008 0.000 0.207 59 L C 2.542 179.017 176.870 -0.658 0.000 1.078 59 L CA 1.803 56.012 54.840 -1.050 0.000 0.749 59 L CB -0.922 40.429 42.059 -1.180 0.000 0.901 59 L HN 0.132 nan 8.230 nan 0.000 0.433 60 Q N -0.137 119.387 119.800 -0.459 0.000 2.084 60 Q HA -0.213 4.131 4.340 0.008 0.000 0.202 60 Q C 1.688 177.543 176.000 -0.242 0.000 0.978 60 Q CA 2.257 57.859 55.803 -0.336 0.000 0.844 60 Q CB -0.322 28.234 28.738 -0.303 0.000 0.898 60 Q HN 0.585 nan 8.270 nan 0.000 0.426 61 D N -0.410 119.870 120.400 -0.199 0.000 2.219 61 D HA -0.088 4.557 4.640 0.008 0.000 0.205 61 D C 1.542 177.793 176.300 -0.082 0.000 0.970 61 D CA 1.008 54.943 54.000 -0.109 0.000 0.851 61 D CB -0.040 40.720 40.800 -0.067 0.000 0.943 61 D HN 0.378 nan 8.370 nan 0.000 0.488 62 I N -0.090 120.394 120.570 -0.143 0.000 2.500 62 I HA -0.148 4.026 4.170 0.008 0.000 0.252 62 I C 1.716 177.830 176.117 -0.005 0.000 1.142 62 I CA 0.334 61.613 61.300 -0.035 0.000 1.451 62 I CB 0.049 38.029 38.000 -0.034 0.000 1.093 62 I HN -0.040 nan 8.210 nan 0.000 0.430 63 I N 0.507 120.955 120.570 -0.203 0.000 2.394 63 I HA -0.177 3.997 4.170 0.008 0.000 0.251 63 I C 0.912 177.099 176.117 0.117 0.000 1.136 63 I CA 0.763 61.919 61.300 -0.240 0.000 1.425 63 I CB -0.309 37.492 38.000 -0.331 0.000 1.079 63 I HN 0.216 nan 8.210 nan 0.000 0.425 64 C N 2.118 121.449 119.300 0.052 0.000 2.239 64 C HA 0.522 4.987 4.460 0.008 0.000 0.325 64 C C 0.909 175.947 174.990 0.080 0.000 1.231 64 C CA -0.396 58.671 59.018 0.083 0.000 1.652 64 C CB -1.154 26.605 27.740 0.031 0.000 2.284 64 C HN 0.634 nan 8.230 nan 0.000 0.499 65 E N 1.842 122.100 120.200 0.097 0.000 3.661 65 E HA -0.003 4.351 4.350 0.008 0.000 0.209 65 E C -0.668 175.960 176.600 0.048 0.000 1.288 65 E CA -0.304 56.133 56.400 0.061 0.000 1.349 65 E CB -0.446 29.295 29.700 0.068 0.000 2.591 65 E HN 0.471 nan 8.360 nan 0.000 0.980 66 D N 2.175 122.593 120.400 0.029 0.000 2.587 66 D HA 0.084 4.729 4.640 0.008 0.000 0.233 66 D C 1.064 177.365 176.300 0.002 0.000 1.213 66 D CA 0.570 54.570 54.000 0.000 0.000 0.827 66 D CB 0.754 41.534 40.800 -0.034 0.000 1.006 66 D HN 0.267 nan 8.370 nan 0.000 0.490 67 S N 0.010 115.755 115.700 0.074 0.000 2.355 67 S HA -0.113 4.362 4.470 0.008 0.000 0.222 67 S C 1.192 175.956 174.600 0.272 0.000 1.031 67 S CA 0.563 58.867 58.200 0.174 0.000 0.993 67 S CB -1.018 62.385 63.200 0.339 0.000 0.859 67 S HN 0.221 nan 8.310 nan 0.000 0.453 68 T N 3.060 117.724 114.554 0.183 0.000 2.932 68 T HA 0.445 4.800 4.350 0.008 0.000 0.312 68 T C -0.167 174.580 174.700 0.078 0.000 1.071 68 T CA 0.184 62.356 62.100 0.120 0.000 1.128 68 T CB 0.232 69.147 68.868 0.078 0.000 0.984 68 T HN 0.263 nan 8.240 nan 0.000 0.549 69 L N 2.065 123.337 121.223 0.080 0.000 2.301 69 L HA 0.655 4.999 4.340 0.008 0.000 0.264 69 L C 0.008 176.957 176.870 0.132 0.000 1.016 69 L CA -1.140 53.760 54.840 0.100 0.000 0.821 69 L CB 1.584 43.766 42.059 0.205 0.000 1.346 69 L HN 0.505 nan 8.230 nan 0.000 0.429 91 S N 4.487 120.054 115.700 -0.222 0.000 2.521 91 S HA 0.809 5.283 4.470 0.008 0.000 0.295 91 S C -0.857 173.639 174.600 -0.173 0.000 1.098 91 S CA -0.652 57.483 58.200 -0.107 0.000 0.999 91 S CB 1.643 64.848 63.200 0.008 0.000 1.034 91 S HN 0.253 nan 8.310 nan 0.000 0.483 92 F N 1.801 121.807 119.950 0.095 0.000 2.385 92 F HA 0.722 5.254 4.527 0.008 0.000 0.336 92 F C 1.265 177.107 175.800 0.070 0.000 1.100 92 F CA -0.087 57.977 58.000 0.106 0.000 1.116 92 F CB 1.148 40.251 39.000 0.172 0.000 1.166 92 F HN 0.939 nan 8.300 nan 0.000 0.511 93 G N 1.260 110.197 108.800 0.229 0.000 3.134 93 G HA2 0.261 4.225 3.960 0.008 0.000 0.158 93 G HA3 0.261 4.225 3.960 0.008 0.000 0.158 93 G C -0.737 174.202 174.900 0.065 0.000 1.334 93 G CA -0.808 44.366 45.100 0.123 0.000 1.001 93 G HN 0.514 nan 8.290 nan 0.000 0.600 94 K N -0.244 120.157 120.400 0.002 0.000 2.440 94 K HA 0.250 4.575 4.320 0.008 0.000 0.270 94 K C -0.802 175.664 176.600 -0.223 0.000 0.980 94 K CA 0.041 56.215 56.287 -0.188 0.000 0.953 94 K CB 0.432 32.741 32.500 -0.319 0.000 0.925 94 K HN 0.305 nan 8.250 nan 0.000 0.497 95 I N 3.713 124.040 120.570 -0.405 0.000 2.465 95 I HA 0.288 4.463 4.170 0.008 0.000 0.291 95 I C -1.458 174.404 176.117 -0.425 0.000 1.014 95 I CA -0.874 60.277 61.300 -0.249 0.000 1.093 95 I CB 0.745 38.625 38.000 -0.201 0.000 1.267 95 I HN 0.570 nan 8.210 nan 0.000 0.431 96 Y N 5.350 125.667 120.300 0.028 0.000 2.567 96 Y HA 0.704 5.258 4.550 0.008 0.000 0.333 96 Y C -0.369 175.569 175.900 0.064 0.000 1.106 96 Y CA -1.043 57.072 58.100 0.026 0.000 1.157 96 Y CB 1.697 40.181 38.460 0.041 0.000 1.277 96 Y HN 0.148 nan 8.280 nan 0.000 0.490 97 V N 1.436 121.456 119.914 0.177 0.000 2.524 97 V HA 0.347 4.472 4.120 0.008 0.000 0.297 97 V C -0.258 175.898 176.094 0.103 0.000 1.035 97 V CA -1.050 61.319 62.300 0.115 0.000 0.867 97 V CB 1.227 33.041 31.823 -0.015 0.000 1.004 97 V HN 0.958 nan 8.190 nan 0.000 0.426 98 T N 2.224 116.874 114.554 0.160 0.000 2.771 98 T HA 0.453 4.808 4.350 0.008 0.000 0.290 98 T C 0.032 174.720 174.700 -0.020 0.000 1.005 98 T CA -0.758 61.392 62.100 0.084 0.000 0.944 98 T CB 0.951 69.916 68.868 0.161 0.000 1.147 98 T HN 0.502 nan 8.240 nan 0.000 0.534 99 K N 0.795 121.139 120.400 -0.093 0.000 2.090 99 K HA 0.334 4.659 4.320 0.008 0.000 0.249 99 K C -2.696 173.824 176.600 -0.134 0.000 0.995 99 K CA -2.120 53.988 56.287 -0.298 0.000 0.914 99 K CB 0.248 32.380 32.500 -0.612 0.000 1.057 99 K HN 0.304 nan 8.250 nan 0.000 0.462 100 P HA -0.103 nan 4.420 nan 0.000 0.257 100 P C -0.593 176.729 177.300 0.037 0.000 1.162 100 P CA 1.147 64.160 63.100 -0.146 0.000 0.762 100 P CB 0.312 31.723 31.700 -0.482 0.000 0.753 101 M N 2.054 121.678 119.600 0.039 0.000 2.849 101 M HA 0.564 5.049 4.480 0.008 0.000 0.299 101 M C -0.495 175.847 176.300 0.071 0.000 1.223 101 M CA -1.048 54.294 55.300 0.069 0.000 0.856 101 M CB 1.678 34.340 32.600 0.103 0.000 1.680 101 M HN -0.140 nan 8.290 nan 0.000 0.506 102 V N 1.525 121.492 119.914 0.089 0.000 2.568 102 V HA 0.201 4.325 4.120 0.008 0.000 0.276 102 V C -1.075 175.071 176.094 0.086 0.000 1.002 102 V CA -0.802 61.558 62.300 0.100 0.000 0.879 102 V CB 1.115 33.025 31.823 0.144 0.000 1.040 102 V HN 0.853 nan 8.190 nan 0.000 0.457 103 N N 4.119 122.850 118.700 0.052 0.000 2.406 103 N HA 0.362 5.107 4.740 0.008 0.000 0.251 103 N C -0.223 175.303 175.510 0.028 0.000 1.069 103 N CA -0.199 52.864 53.050 0.023 0.000 0.947 103 N CB 0.717 39.194 38.487 -0.017 0.000 1.111 103 N HN 0.853 nan 8.380 nan 0.000 0.497 104 E N 1.125 121.343 120.200 0.029 0.000 2.293 104 E HA 0.394 4.748 4.350 0.008 0.000 0.270 104 E C -0.932 175.678 176.600 0.017 0.000 0.879 104 E CA -1.130 55.285 56.400 0.025 0.000 0.756 104 E CB 0.975 30.693 29.700 0.030 0.000 1.208 104 E HN 0.480 nan 8.360 nan 0.000 0.428 105 S N 2.259 117.970 115.700 0.018 0.000 2.560 105 S HA 0.071 4.545 4.470 0.008 0.000 0.284 105 S C 0.007 174.616 174.600 0.015 0.000 1.327 105 S CA -0.310 57.901 58.200 0.018 0.000 1.055 105 S CB 0.070 63.285 63.200 0.025 0.000 0.868 105 S HN 0.698 nan 8.310 nan 0.000 0.506 106 D N 0.807 121.214 120.400 0.012 0.000 2.872 106 D HA -0.031 4.614 4.640 0.008 0.000 0.248 106 D C 0.262 176.564 176.300 0.003 0.000 1.104 106 D CA 1.769 55.774 54.000 0.008 0.000 0.784 106 D CB -1.530 39.276 40.800 0.011 0.000 1.036 106 D HN 1.303 nan 8.370 nan 0.000 0.426 107 G N -2.374 106.427 108.800 0.002 0.000 2.337 107 G HA2 0.343 4.307 3.960 0.008 0.000 0.298 107 G HA3 0.343 4.307 3.960 0.008 0.000 0.298 107 G C -0.164 174.738 174.900 0.004 0.000 1.335 107 G CA -0.327 44.772 45.100 -0.002 0.000 0.875 107 G HN 0.275 nan 8.290 nan 0.000 0.579 108 V N -0.560 119.357 119.914 0.005 0.000 3.766 108 V HA 0.529 4.653 4.120 0.008 0.000 0.286 108 V C 1.203 177.323 176.094 0.044 0.000 1.055 108 V CA 0.123 62.435 62.300 0.022 0.000 1.060 108 V CB 1.208 33.047 31.823 0.027 0.000 1.210 108 V HN 0.837 nan 8.190 nan 0.000 0.457 109 T N 0.091 114.683 114.554 0.063 0.000 2.795 109 T HA 0.428 4.783 4.350 0.008 0.000 0.282 109 T C -0.775 174.021 174.700 0.160 0.000 0.980 109 T CA 0.022 62.174 62.100 0.087 0.000 1.012 109 T CB 0.245 69.148 68.868 0.058 0.000 0.936 109 T HN 0.753 nan 8.240 nan 0.000 0.457 110 H N 1.627 120.723 119.070 0.043 0.000 2.573 110 H HA 0.680 5.241 4.556 0.008 0.000 0.351 110 H C -0.342 175.028 175.328 0.069 0.000 1.163 110 H CA -0.836 55.245 56.048 0.054 0.000 1.205 110 H CB 1.202 30.995 29.762 0.052 0.000 1.605 110 H HN 0.700 nan 8.280 nan 0.000 0.525 111 A N 4.284 126.827 122.820 -0.461 0.000 2.395 111 A HA 0.333 4.658 4.320 0.008 0.000 0.286 111 A C -0.722 176.592 177.584 -0.450 0.000 1.193 111 A CA -0.345 51.476 52.037 -0.360 0.000 0.852 111 A CB -0.756 18.079 19.000 -0.273 0.000 1.118 111 A HN 0.539 nan 8.150 nan 0.000 0.524 112 L N 3.854 124.946 121.223 -0.218 0.000 2.292 112 L HA 0.592 4.937 4.340 0.008 0.000 0.284 112 L C -0.960 175.871 176.870 -0.065 0.000 1.065 112 L CA -0.023 54.794 54.840 -0.040 0.000 0.806 112 L CB 0.359 42.476 42.059 0.096 0.000 1.175 112 L HN 0.614 nan 8.230 nan 0.000 0.431 113 Y N 5.559 125.880 120.300 0.036 0.000 2.528 113 Y HA 0.464 5.019 4.550 0.008 0.000 0.335 113 Y C -1.479 174.471 175.900 0.084 0.000 1.093 113 Y CA -1.784 56.367 58.100 0.085 0.000 1.134 113 Y CB 0.790 39.205 38.460 -0.076 0.000 1.253 113 Y HN 0.530 nan 8.280 nan 0.000 0.478 114 P HA -0.237 nan 4.420 nan 0.000 0.215 114 P C 1.081 178.359 177.300 -0.038 0.000 1.153 114 P CA 1.638 64.581 63.100 -0.261 0.000 0.853 114 P CB 0.568 32.053 31.700 -0.358 0.000 0.788 115 Q N 0.814 120.635 119.800 0.034 0.000 1.967 115 Q HA -0.188 4.157 4.340 0.008 0.000 0.202 115 Q C 2.418 178.449 176.000 0.051 0.000 0.985 115 Q CA 2.008 57.830 55.803 0.032 0.000 0.839 115 Q CB -1.199 27.548 28.738 0.016 0.000 0.906 115 Q HN 0.269 nan 8.270 nan 0.000 0.423 116 E N -0.852 119.394 120.200 0.078 0.000 2.086 116 E HA -0.290 4.064 4.350 0.008 0.000 0.200 116 E C 1.754 178.405 176.600 0.085 0.000 1.012 116 E CA 1.383 57.835 56.400 0.087 0.000 0.812 116 E CB -0.322 29.453 29.700 0.124 0.000 0.743 116 E HN 0.420 nan 8.360 nan 0.000 0.453 117 A N 1.112 123.997 122.820 0.109 0.000 1.873 117 A HA -0.271 4.054 4.320 0.008 0.000 0.218 117 A C 2.186 179.809 177.584 0.065 0.000 1.193 117 A CA 2.012 54.113 52.037 0.106 0.000 0.629 117 A CB -0.654 18.439 19.000 0.154 0.000 0.826 117 A HN 0.232 nan 8.150 nan 0.000 0.447 118 R N -0.915 119.618 120.500 0.054 0.000 2.081 118 R HA -0.008 4.337 4.340 0.008 0.000 0.235 118 R C 2.155 178.495 176.300 0.066 0.000 1.131 118 R CA 1.381 57.515 56.100 0.057 0.000 0.960 118 R CB -0.437 29.893 30.300 0.050 0.000 0.856 118 R HN 0.536 nan 8.270 nan 0.000 0.436 119 L N 0.061 121.323 121.223 0.065 0.000 2.072 119 L HA -0.124 4.221 4.340 0.008 0.000 0.205 119 L C 1.895 178.833 176.870 0.114 0.000 1.079 119 L CA 1.354 56.249 54.840 0.090 0.000 0.752 119 L CB -0.144 41.958 42.059 0.072 0.000 0.906 119 L HN 0.123 nan 8.230 nan 0.000 0.436 120 R N 0.150 120.667 120.500 0.030 0.000 2.334 120 R HA 0.117 4.462 4.340 0.008 0.000 0.220 120 R C -0.089 176.026 176.300 -0.309 0.000 0.917 120 R CA -0.040 55.990 56.100 -0.117 0.000 1.073 120 R CB -0.193 30.067 30.300 -0.067 0.000 1.056 120 R HN 0.384 nan 8.270 nan 0.000 0.506 121 N N 1.158 119.774 118.700 -0.140 0.000 2.740 121 N HA -0.183 4.561 4.740 0.008 0.000 0.248 121 N C -0.630 174.821 175.510 -0.098 0.000 1.062 121 N CA 0.248 53.225 53.050 -0.123 0.000 0.704 121 N CB -1.095 37.246 38.487 -0.243 0.000 0.968 121 N HN 0.243 nan 8.380 nan 0.000 0.547 122 L N 0.011 121.216 121.223 -0.030 0.000 2.431 122 L HA 0.414 4.759 4.340 0.008 0.000 0.260 122 L C 0.950 177.865 176.870 0.075 0.000 1.098 122 L CA -0.411 54.440 54.840 0.017 0.000 0.800 122 L CB 1.066 43.156 42.059 0.052 0.000 1.210 122 L HN -0.068 nan 8.230 nan 0.000 0.465 123 T N 0.021 114.632 114.554 0.095 0.000 2.853 123 T HA 0.149 4.504 4.350 0.008 0.000 0.317 123 T C -0.354 174.464 174.700 0.196 0.000 1.059 123 T CA -0.227 61.952 62.100 0.130 0.000 0.954 123 T CB -0.304 68.616 68.868 0.087 0.000 0.994 123 T HN 0.241 nan 8.240 nan 0.000 0.479 124 Y N 4.981 125.332 120.300 0.085 0.000 2.735 124 Y HA 0.139 4.694 4.550 0.008 0.000 0.367 124 Y C 0.773 176.741 175.900 0.113 0.000 1.333 124 Y CA -0.156 58.002 58.100 0.098 0.000 1.861 124 Y CB -0.847 37.669 38.460 0.094 0.000 1.457 124 Y HN 0.602 nan 8.280 nan 0.000 0.457 125 S N 1.953 117.668 115.700 0.024 0.000 2.671 125 S HA 0.915 5.389 4.470 0.008 0.000 0.299 125 S C -0.451 174.120 174.600 -0.047 0.000 1.116 125 S CA -0.513 57.693 58.200 0.009 0.000 0.912 125 S CB 1.790 65.029 63.200 0.064 0.000 1.130 125 S HN 0.519 nan 8.310 nan 0.000 0.501 126 S N -0.246 115.455 115.700 0.002 0.000 2.671 126 S HA 0.827 5.302 4.470 0.008 0.000 0.299 126 S C 0.249 174.909 174.600 0.100 0.000 1.116 126 S CA -0.702 57.510 58.200 0.021 0.000 0.912 126 S CB 0.706 63.885 63.200 -0.036 0.000 1.130 126 S HN 1.400 nan 8.310 nan 0.000 0.501 127 G N 0.211 109.123 108.800 0.186 0.000 2.299 127 G HA2 0.430 4.395 3.960 0.008 0.000 0.256 127 G HA3 0.430 4.395 3.960 0.008 0.000 0.256 127 G C -0.863 174.135 174.900 0.164 0.000 1.259 127 G CA -0.210 45.064 45.100 0.290 0.000 0.943 127 G HN 0.543 nan 8.290 nan 0.000 0.479 128 L N 4.058 125.179 121.223 -0.170 0.000 2.371 128 L HA 0.508 4.853 4.340 0.008 0.000 0.262 128 L C -0.924 175.739 176.870 -0.346 0.000 1.054 128 L CA -1.026 53.703 54.840 -0.184 0.000 0.924 128 L CB -0.085 41.851 42.059 -0.205 0.000 1.295 128 L HN 0.350 nan 8.230 nan 0.000 0.441 129 F N 2.681 122.681 119.950 0.084 0.000 2.404 129 F HA 0.593 5.125 4.527 0.008 0.000 0.339 129 F C 0.523 176.442 175.800 0.198 0.000 1.105 129 F CA -0.573 57.514 58.000 0.146 0.000 1.087 129 F CB 1.259 40.362 39.000 0.172 0.000 1.143 129 F HN 0.006 nan 8.300 nan 0.000 0.491 130 V N 1.240 121.351 119.914 0.328 0.000 3.093 130 V HA 0.335 4.460 4.120 0.008 0.000 0.320 130 V C -0.633 175.667 176.094 0.342 0.000 1.093 130 V CA -0.874 61.606 62.300 0.301 0.000 1.016 130 V CB 2.041 34.044 31.823 0.301 0.000 1.096 130 V HN 0.636 nan 8.190 nan 0.000 0.452 131 D N 1.274 121.856 120.400 0.304 0.000 2.432 131 D HA 0.361 5.005 4.640 0.008 0.000 0.265 131 D C -0.960 175.441 176.300 0.169 0.000 1.160 131 D CA -0.010 54.137 54.000 0.244 0.000 0.911 131 D CB 1.563 42.515 40.800 0.254 0.000 1.052 131 D HN 0.238 nan 8.370 nan 0.000 0.508 132 V N 3.188 123.168 119.914 0.111 0.000 2.607 132 V HA 0.301 4.426 4.120 0.008 0.000 0.289 132 V C 0.447 176.515 176.094 -0.044 0.000 1.053 132 V CA -0.373 61.902 62.300 -0.040 0.000 0.996 132 V CB 1.585 33.335 31.823 -0.121 0.000 0.995 132 V HN 0.252 nan 8.190 nan 0.000 0.476 133 K N 4.490 124.835 120.400 -0.092 0.000 2.221 133 K HA 0.623 4.948 4.320 0.008 0.000 0.258 133 K C -0.508 176.049 176.600 -0.072 0.000 0.944 133 K CA -0.844 55.412 56.287 -0.052 0.000 0.823 133 K CB 1.994 34.478 32.500 -0.027 0.000 1.113 133 K HN 0.775 nan 8.250 nan 0.000 0.431 165 V N 3.378 123.469 119.914 0.295 0.000 2.427 165 V HA 0.391 4.516 4.120 0.008 0.000 0.286 165 V C -0.245 176.034 176.094 0.308 0.000 1.034 165 V CA -0.648 61.826 62.300 0.291 0.000 0.893 165 V CB 0.997 32.943 31.823 0.206 0.000 0.982 165 V HN 0.277 nan 8.190 nan 0.000 0.452 166 F N 5.814 125.800 119.950 0.061 0.000 2.399 166 F HA 0.626 5.157 4.527 0.008 0.000 0.342 166 F C -0.029 175.679 175.800 -0.153 0.000 1.106 166 F CA -0.521 57.324 58.000 -0.259 0.000 1.196 166 F CB 0.496 39.349 39.000 -0.245 0.000 1.163 166 F HN 0.319 nan 8.300 nan 0.000 0.547 167 I N 5.991 125.847 120.570 -1.190 0.000 2.563 167 I HA 0.300 4.475 4.170 0.008 0.000 0.281 167 I C 0.321 175.813 176.117 -1.043 0.000 1.110 167 I CA -0.478 60.337 61.300 -0.808 0.000 1.073 167 I CB 0.984 38.782 38.000 -0.337 0.000 1.215 167 I HN 0.951 nan 8.210 nan 0.000 0.460 168 G N 6.280 114.507 108.800 -0.955 0.000 2.649 168 G HA2 -0.254 3.710 3.960 0.008 0.000 0.413 168 G HA3 -0.254 3.710 3.960 0.008 0.000 0.413 168 G C -0.278 174.372 174.900 -0.417 0.000 1.335 168 G CA -0.218 44.577 45.100 -0.508 0.000 0.917 168 G HN 0.672 nan 8.290 nan 0.000 0.552 169 R N -1.351 119.092 120.500 -0.096 0.000 2.621 169 R HA 0.540 4.885 4.340 0.008 0.000 0.292 169 R C -0.859 175.463 176.300 0.037 0.000 0.969 169 R CA -1.001 55.104 56.100 0.008 0.000 0.887 169 R CB 1.925 32.282 30.300 0.095 0.000 1.180 169 R HN 0.521 nan 8.270 nan 0.000 0.450 170 L N 4.806 126.075 121.223 0.077 0.000 2.264 170 L HA 0.425 4.770 4.340 0.008 0.000 0.287 170 L C -2.360 174.603 176.870 0.155 0.000 1.039 170 L CA -2.104 52.823 54.840 0.145 0.000 0.829 170 L CB 0.917 43.096 42.059 0.201 0.000 1.211 170 L HN 0.429 nan 8.230 nan 0.000 0.427 171 P HA 0.005 nan 4.420 nan 0.000 0.261 171 P C -0.337 177.133 177.300 0.283 0.000 1.183 171 P CA 0.506 63.671 63.100 0.109 0.000 0.761 171 P CB 0.414 32.076 31.700 -0.064 0.000 0.785 172 I N 4.275 125.051 120.570 0.344 0.000 2.395 172 I HA 0.221 4.396 4.170 0.008 0.000 0.289 172 I C 1.337 177.606 176.117 0.253 0.000 1.023 172 I CA -0.789 60.759 61.300 0.414 0.000 1.350 172 I CB 0.961 39.093 38.000 0.220 0.000 1.409 172 I HN 0.279 nan 8.210 nan 0.000 0.507 173 M N 6.876 126.248 119.600 -0.380 0.000 2.227 173 M HA 0.103 4.588 4.480 0.008 0.000 0.349 173 M C -0.398 175.694 176.300 -0.347 0.000 1.443 173 M CA -0.648 54.120 55.300 -0.887 0.000 1.110 173 M CB 0.461 32.245 32.600 -1.360 0.000 1.773 173 M HN 0.385 nan 8.290 nan 0.000 0.463 174 L N 6.265 127.216 121.223 -0.454 0.000 2.717 174 L HA -0.036 4.309 4.340 0.008 0.000 0.281 174 L C 0.537 177.254 176.870 -0.255 0.000 1.329 174 L CA 1.314 55.931 54.840 -0.372 0.000 1.202 174 L CB -1.315 40.282 42.059 -0.770 0.000 1.425 174 L HN 0.970 nan 8.230 nan 0.000 0.438 175 R N -0.883 119.566 120.500 -0.085 0.000 1.754 175 R HA -0.081 4.264 4.340 0.008 0.000 0.418 175 R C 0.182 176.489 176.300 0.011 0.000 0.302 175 R CA 0.742 56.818 56.100 -0.040 0.000 1.361 175 R CB -1.243 29.014 30.300 -0.072 0.000 1.923 175 R HN 0.586 nan 8.270 nan 0.000 0.271 176 S N -0.278 115.462 115.700 0.067 0.000 2.634 176 S HA 0.271 4.746 4.470 0.008 0.000 0.261 176 S C 1.082 175.733 174.600 0.085 0.000 1.271 176 S CA -0.587 57.704 58.200 0.151 0.000 0.985 176 S CB 1.193 64.653 63.200 0.434 0.000 0.968 176 S HN 0.248 nan 8.310 nan 0.000 0.568 177 K N 0.651 121.085 120.400 0.056 0.000 2.228 177 K HA -0.203 4.121 4.320 0.008 0.000 0.205 177 K C 1.492 178.074 176.600 -0.030 0.000 1.045 177 K CA 1.911 58.200 56.287 0.003 0.000 0.931 177 K CB -0.448 32.042 32.500 -0.016 0.000 0.727 177 K HN 0.515 nan 8.250 nan 0.000 0.458 178 N N 0.422 119.111 118.700 -0.019 0.000 2.197 178 N HA -0.068 4.677 4.740 0.008 0.000 0.184 178 N C 0.501 175.890 175.510 -0.201 0.000 1.030 178 N CA 0.418 53.404 53.050 -0.106 0.000 0.851 178 N CB -0.310 38.143 38.487 -0.057 0.000 1.003 178 N HN 0.140 nan 8.380 nan 0.000 0.430 179 C N 1.771 121.044 119.300 -0.044 0.000 2.334 179 C HA -0.132 4.333 4.460 0.008 0.000 0.395 179 C C 1.392 176.373 174.990 -0.015 0.000 1.507 179 C CA -0.411 58.639 59.018 0.053 0.000 1.494 179 C CB -1.366 26.489 27.740 0.192 0.000 2.509 179 C HN 0.485 nan 8.230 nan 0.000 0.599 180 Y N 3.729 124.045 120.300 0.027 0.000 2.384 180 Y HA -0.091 4.464 4.550 0.008 0.000 0.289 180 Y C 2.008 177.931 175.900 0.038 0.000 1.152 180 Y CA 1.266 59.358 58.100 -0.014 0.000 1.258 180 Y CB -0.629 37.749 38.460 -0.136 0.000 0.979 180 Y HN 0.656 nan 8.280 nan 0.000 0.549 181 L N -0.396 120.952 121.223 0.207 0.000 2.141 181 L HA -0.212 4.132 4.340 0.008 0.000 0.209 181 L C 2.584 179.495 176.870 0.068 0.000 1.094 181 L CA 1.300 56.212 54.840 0.121 0.000 0.763 181 L CB -0.853 41.249 42.059 0.071 0.000 0.908 181 L HN 0.331 nan 8.230 nan 0.000 0.437 182 S N 0.260 115.991 115.700 0.052 0.000 2.400 182 S HA -0.289 4.186 4.470 0.008 0.000 0.234 182 S C 1.623 176.239 174.600 0.028 0.000 1.049 182 S CA 1.978 60.195 58.200 0.027 0.000 1.039 182 S CB -0.389 62.820 63.200 0.016 0.000 0.856 182 S HN 0.597 nan 8.310 nan 0.000 0.465 183 E N 1.495 121.719 120.200 0.041 0.000 2.340 183 E HA 0.489 4.843 4.350 0.008 0.000 0.198 183 E C 0.921 177.550 176.600 0.049 0.000 0.961 183 E CA 0.229 56.653 56.400 0.040 0.000 0.905 183 E CB -0.068 29.657 29.700 0.042 0.000 0.884 183 E HN 0.643 nan 8.360 nan 0.000 0.491 184 A N 2.170 125.032 122.820 0.069 0.000 2.609 184 A HA 0.042 4.367 4.320 0.008 0.000 0.232 184 A C 0.803 178.408 177.584 0.036 0.000 1.041 184 A CA 0.798 52.876 52.037 0.069 0.000 0.753 184 A CB -0.214 18.837 19.000 0.085 0.000 0.966 184 A HN 0.241 nan 8.150 nan 0.000 0.510 185 T N -0.419 114.156 114.554 0.035 0.000 2.852 185 T HA 0.359 4.714 4.350 0.008 0.000 0.281 185 T C 1.010 175.716 174.700 0.010 0.000 0.993 185 T CA 0.461 62.572 62.100 0.020 0.000 0.933 185 T CB 0.841 69.725 68.868 0.027 0.000 1.187 185 T HN 0.709 nan 8.240 nan 0.000 0.559 186 E N 0.141 120.347 120.200 0.011 0.000 2.001 186 E HA -0.164 4.191 4.350 0.008 0.000 0.195 186 E C 2.393 179.069 176.600 0.127 0.000 1.002 186 E CA 1.753 58.165 56.400 0.020 0.000 0.819 186 E CB -0.370 29.359 29.700 0.049 0.000 0.769 186 E HN 0.814 nan 8.360 nan 0.000 0.454 187 S N 0.799 116.586 115.700 0.144 0.000 2.407 187 S HA -0.248 4.227 4.470 0.008 0.000 0.235 187 S C 1.571 176.250 174.600 0.132 0.000 1.036 187 S CA 1.725 60.020 58.200 0.157 0.000 1.013 187 S CB -0.416 62.824 63.200 0.068 0.000 0.820 187 S HN 0.257 nan 8.310 nan 0.000 0.476 188 D N 1.553 122.001 120.400 0.081 0.000 2.123 188 D HA 0.069 4.714 4.640 0.008 0.000 0.200 188 D C 2.049 178.377 176.300 0.046 0.000 0.976 188 D CA 0.943 54.979 54.000 0.059 0.000 0.831 188 D CB -0.284 40.550 40.800 0.057 0.000 0.974 188 D HN 0.394 nan 8.370 nan 0.000 0.469 189 L N -0.098 121.129 121.223 0.006 0.000 1.976 189 L HA -0.223 4.122 4.340 0.008 0.000 0.209 189 L C 2.524 179.351 176.870 -0.072 0.000 1.071 189 L CA 1.244 56.042 54.840 -0.070 0.000 0.746 189 L CB -0.816 41.126 42.059 -0.195 0.000 0.890 189 L HN 0.078 nan 8.230 nan 0.000 0.432 190 Y N 0.657 120.942 120.300 -0.025 0.000 2.030 190 Y HA -0.366 4.188 4.550 0.008 0.000 0.272 190 Y C 2.722 178.595 175.900 -0.046 0.000 1.185 190 Y CA 1.738 59.816 58.100 -0.036 0.000 1.120 190 Y CB -0.436 38.001 38.460 -0.039 0.000 0.955 190 Y HN 0.074 nan 8.280 nan 0.000 0.495 191 K N 0.032 120.507 120.400 0.125 0.000 2.228 191 K HA -0.200 4.125 4.320 0.008 0.000 0.205 191 K C 1.591 178.169 176.600 -0.037 0.000 1.045 191 K CA 1.468 57.770 56.287 0.026 0.000 0.931 191 K CB -0.414 32.090 32.500 0.007 0.000 0.727 191 K HN 0.388 nan 8.250 nan 0.000 0.458 192 L N 0.521 121.722 121.223 -0.036 0.000 2.591 192 L HA 0.049 4.394 4.340 0.008 0.000 0.228 192 L C 0.146 176.984 176.870 -0.052 0.000 1.133 192 L CA 0.153 54.943 54.840 -0.082 0.000 0.880 192 L CB -0.138 41.919 42.059 -0.004 0.000 1.033 192 L HN 0.142 nan 8.230 nan 0.000 0.450 193 K N 0.150 120.531 120.400 -0.030 0.000 3.192 193 K HA -0.151 4.173 4.320 0.008 0.000 0.278 193 K C -0.163 176.414 176.600 -0.038 0.000 1.164 193 K CA 0.493 56.763 56.287 -0.028 0.000 0.816 193 K CB -1.189 31.288 32.500 -0.038 0.000 1.256 193 K HN 0.196 nan 8.250 nan 0.000 0.497 194 E N 1.026 121.193 120.200 -0.055 0.000 2.155 194 E HA 0.132 4.487 4.350 0.008 0.000 0.264 194 E C -0.477 176.044 176.600 -0.133 0.000 0.886 194 E CA -0.556 55.809 56.400 -0.059 0.000 0.752 194 E CB 1.539 31.223 29.700 -0.027 0.000 1.133 194 E HN 0.303 nan 8.360 nan 0.000 0.414 195 C N 6.679 125.913 119.300 -0.109 0.000 2.538 195 C HA 0.078 4.543 4.460 0.008 0.000 0.408 195 C C -0.775 174.112 174.990 -0.171 0.000 1.421 195 C CA -1.047 57.883 59.018 -0.145 0.000 1.642 195 C CB 0.047 27.764 27.740 -0.038 0.000 2.553 195 C HN 0.567 nan 8.230 nan 0.000 0.604 196 P HA -0.020 nan 4.420 nan 0.000 0.242 196 P C 0.852 177.956 177.300 -0.326 0.000 1.197 196 P CA 1.323 64.205 63.100 -0.363 0.000 0.765 196 P CB -0.062 31.315 31.700 -0.537 0.000 0.936 197 F N 0.121 119.981 119.950 -0.150 0.000 2.656 197 F HA 0.147 4.679 4.527 0.008 0.000 0.291 197 F C 1.154 176.997 175.800 0.071 0.000 1.122 197 F CA -0.203 57.727 58.000 -0.117 0.000 1.427 197 F CB -0.457 38.350 39.000 -0.323 0.000 1.125 197 F HN -0.145 nan 8.300 nan 0.000 0.583 198 D N 1.006 121.539 120.400 0.222 0.000 2.525 198 D HA -0.067 4.578 4.640 0.008 0.000 0.235 198 D C 1.314 177.736 176.300 0.203 0.000 1.137 198 D CA 0.329 54.472 54.000 0.237 0.000 0.868 198 D CB 0.642 41.534 40.800 0.154 0.000 1.180 198 D HN 0.047 nan 8.370 nan 0.000 0.465 199 M N 2.027 121.761 119.600 0.223 0.000 2.461 199 M HA 0.263 4.748 4.480 0.008 0.000 0.255 199 M C 0.802 177.165 176.300 0.104 0.000 1.137 199 M CA 0.367 55.755 55.300 0.147 0.000 1.086 199 M CB -1.155 31.521 32.600 0.127 0.000 1.356 199 M HN 0.333 nan 8.290 nan 0.000 0.487 200 G N 1.485 110.411 108.800 0.209 0.000 2.704 200 G HA2 0.002 3.967 3.960 0.008 0.000 0.338 200 G HA3 0.002 3.967 3.960 0.008 0.000 0.338 200 G C 0.499 175.333 174.900 -0.110 0.000 0.073 200 G CA 0.383 45.553 45.100 0.116 0.000 1.219 200 G HN 1.045 nan 8.290 nan 0.000 0.578 201 G N 2.186 110.954 108.800 -0.055 0.000 4.765 201 G HA2 0.570 4.535 3.960 0.008 0.000 0.276 201 G HA3 0.570 4.535 3.960 0.008 0.000 0.276 201 G C 0.083 174.783 174.900 -0.333 0.000 0.986 201 G CA 0.360 45.336 45.100 -0.207 0.000 0.755 201 G HN 1.253 nan 8.290 nan 0.000 0.391 202 Y N -1.415 118.629 120.300 -0.426 0.000 2.675 202 Y HA 0.865 5.420 4.550 0.008 0.000 0.328 202 Y C -0.551 174.959 175.900 -0.650 0.000 1.092 202 Y CA -2.217 55.589 58.100 -0.489 0.000 1.190 202 Y CB 1.057 39.379 38.460 -0.229 0.000 1.350 202 Y HN -0.132 nan 8.280 nan 0.000 0.525 203 F N 0.035 119.987 119.950 0.003 0.000 2.572 203 F HA 0.622 5.154 4.527 0.008 0.000 0.342 203 F C -0.273 175.573 175.800 0.076 0.000 1.064 203 F CA -1.134 56.839 58.000 -0.046 0.000 1.008 203 F CB 1.601 40.584 39.000 -0.028 0.000 1.303 203 F HN 0.257 nan 8.300 nan 0.000 0.492 204 I N 2.993 123.733 120.570 0.283 0.000 2.595 204 I HA 0.269 4.444 4.170 0.008 0.000 0.275 204 I C -1.342 174.889 176.117 0.191 0.000 1.092 204 I CA -0.274 61.146 61.300 0.201 0.000 1.145 204 I CB 0.704 38.765 38.000 0.102 0.000 1.276 204 I HN 0.268 nan 8.210 nan 0.000 0.497 205 I N 5.862 126.526 120.570 0.158 0.000 2.321 205 I HA 0.314 4.489 4.170 0.008 0.000 0.291 205 I C 0.718 176.882 176.117 0.078 0.000 0.998 205 I CA -0.024 61.339 61.300 0.105 0.000 1.227 205 I CB 0.575 38.619 38.000 0.073 0.000 1.368 205 I HN 0.418 nan 8.210 nan 0.000 0.466 206 N N 5.177 123.914 118.700 0.061 0.000 2.714 206 N HA -0.222 4.523 4.740 0.008 0.000 0.250 206 N C 1.115 176.651 175.510 0.043 0.000 1.117 206 N CA 1.239 54.310 53.050 0.036 0.000 0.719 206 N CB -1.198 37.313 38.487 0.039 0.000 1.081 206 N HN 1.141 nan 8.380 nan 0.000 0.557 207 G N -1.453 107.382 108.800 0.059 0.000 2.234 207 G HA2 -0.325 3.639 3.960 0.008 0.000 0.260 207 G HA3 -0.325 3.639 3.960 0.008 0.000 0.260 207 G C 0.053 174.999 174.900 0.076 0.000 0.987 207 G CA 0.910 46.050 45.100 0.066 0.000 0.625 207 G HN 1.434 nan 8.290 nan 0.000 0.532 208 S N 0.395 116.142 115.700 0.078 0.000 2.438 208 S HA 0.594 5.069 4.470 0.008 0.000 0.293 208 S C -0.049 174.609 174.600 0.096 0.000 1.141 208 S CA -0.312 57.929 58.200 0.068 0.000 1.080 208 S CB 1.478 64.712 63.200 0.056 0.000 0.978 208 S HN 0.377 nan 8.310 nan 0.000 0.479 209 E N 3.614 123.862 120.200 0.080 0.000 2.238 209 E HA 0.110 4.465 4.350 0.008 0.000 0.264 209 E C -0.138 176.520 176.600 0.096 0.000 1.136 209 E CA -0.050 56.430 56.400 0.133 0.000 0.929 209 E CB 0.389 30.051 29.700 -0.063 0.000 1.010 209 E HN 0.471 nan 8.360 nan 0.000 0.440 210 K N 2.301 122.815 120.400 0.190 0.000 2.182 210 K HA 0.438 4.762 4.320 0.008 0.000 0.262 210 K C -0.444 176.262 176.600 0.177 0.000 0.957 210 K CA -0.846 55.534 56.287 0.154 0.000 0.842 210 K CB 2.046 34.650 32.500 0.174 0.000 1.099 210 K HN 0.149 nan 8.250 nan 0.000 0.438 211 V N 3.319 123.253 119.914 0.035 0.000 2.581 211 V HA 0.364 4.488 4.120 0.008 0.000 0.303 211 V C 0.102 176.169 176.094 -0.046 0.000 1.041 211 V CA -0.994 61.267 62.300 -0.065 0.000 0.907 211 V CB 1.734 33.343 31.823 -0.357 0.000 0.994 211 V HN 0.552 nan 8.190 nan 0.000 0.442 212 L N 5.267 126.481 121.223 -0.015 0.000 2.259 212 L HA 0.395 4.740 4.340 0.008 0.000 0.288 212 L C -0.299 176.499 176.870 -0.120 0.000 1.051 212 L CA -0.528 54.291 54.840 -0.034 0.000 0.824 212 L CB 0.831 42.930 42.059 0.068 0.000 1.206 212 L HN 0.442 nan 8.230 nan 0.000 0.429 213 I N 3.649 124.132 120.570 -0.145 0.000 2.578 213 I HA 0.025 4.200 4.170 0.008 0.000 0.286 213 I C 1.136 177.176 176.117 -0.128 0.000 1.126 213 I CA 0.091 61.318 61.300 -0.123 0.000 1.380 213 I CB 0.535 38.486 38.000 -0.082 0.000 1.408 213 I HN 0.579 nan 8.210 nan 0.000 0.532 214 A N 8.516 131.278 122.820 -0.097 0.000 2.584 214 A HA 0.011 4.335 4.320 0.008 0.000 0.239 214 A C 0.450 177.981 177.584 -0.089 0.000 1.043 214 A CA 0.004 51.989 52.037 -0.088 0.000 0.756 214 A CB -0.050 18.916 19.000 -0.058 0.000 0.963 214 A HN 0.667 nan 8.150 nan 0.000 0.511 215 Q N 1.654 121.390 119.800 -0.106 0.000 2.347 215 Q HA 0.257 4.602 4.340 0.008 0.000 0.262 215 Q C -0.379 175.581 176.000 -0.066 0.000 0.980 215 Q CA -0.149 55.596 55.803 -0.096 0.000 0.867 215 Q CB 1.712 30.366 28.738 -0.140 0.000 1.242 215 Q HN 0.866 nan 8.270 nan 0.000 0.453 216 E N 3.381 123.559 120.200 -0.037 0.000 2.200 216 E HA 0.353 4.708 4.350 0.008 0.000 0.283 216 E C -0.605 175.981 176.600 -0.023 0.000 1.015 216 E CA -0.284 56.102 56.400 -0.023 0.000 0.819 216 E CB 0.767 30.491 29.700 0.040 0.000 1.081 216 E HN 0.525 nan 8.360 nan 0.000 0.397 217 R N 1.235 121.710 120.500 -0.042 0.000 2.817 217 R HA 0.436 4.780 4.340 0.008 0.000 0.268 217 R C -0.966 175.309 176.300 -0.042 0.000 1.027 217 R CA -0.960 55.122 56.100 -0.030 0.000 0.928 217 R CB 1.199 31.481 30.300 -0.030 0.000 1.228 217 R HN 0.319 nan 8.270 nan 0.000 0.469 218 S N 0.383 116.070 115.700 -0.022 0.000 2.565 218 S HA 0.534 5.009 4.470 0.008 0.000 0.276 218 S C 0.239 174.811 174.600 -0.046 0.000 1.326 218 S CA -0.132 58.052 58.200 -0.026 0.000 1.045 218 S CB 0.639 63.845 63.200 0.010 0.000 0.918 218 S HN 0.742 nan 8.310 nan 0.000 0.505 219 A N 3.540 126.314 122.820 -0.077 0.000 2.406 219 A HA 0.601 4.926 4.320 0.008 0.000 0.243 219 A C 0.816 178.369 177.584 -0.051 0.000 1.082 219 A CA 0.059 52.041 52.037 -0.092 0.000 0.786 219 A CB -0.417 18.485 19.000 -0.164 0.000 1.029 219 A HN 1.115 nan 8.150 nan 0.000 0.495 220 G N -0.702 108.072 108.800 -0.043 0.000 2.521 220 G HA2 0.459 4.423 3.960 0.008 0.000 0.323 220 G HA3 0.459 4.423 3.960 0.008 0.000 0.323 220 G C -0.180 174.689 174.900 -0.052 0.000 1.211 220 G CA -0.362 44.717 45.100 -0.034 0.000 0.979 220 G HN 0.994 nan 8.290 nan 0.000 0.490 221 N N -1.413 117.225 118.700 -0.103 0.000 2.756 221 N HA -0.149 4.596 4.740 0.008 0.000 0.248 221 N C -0.623 174.875 175.510 -0.021 0.000 1.062 221 N CA 0.887 53.808 53.050 -0.215 0.000 0.696 221 N CB -1.257 37.005 38.487 -0.374 0.000 0.946 221 N HN 0.543 nan 8.380 nan 0.000 0.548 222 I N -0.189 120.397 120.570 0.026 0.000 2.499 222 I HA 0.273 4.448 4.170 0.008 0.000 0.288 222 I C 0.382 176.526 176.117 0.046 0.000 1.048 222 I CA -1.102 60.234 61.300 0.060 0.000 1.062 222 I CB 2.163 40.177 38.000 0.023 0.000 1.238 222 I HN -0.285 nan 8.210 nan 0.000 0.426 223 V N 6.283 126.237 119.914 0.065 0.000 2.521 223 V HA 0.135 4.260 4.120 0.008 0.000 0.286 223 V C 0.056 176.064 176.094 -0.143 0.000 1.034 223 V CA 0.010 62.307 62.300 -0.005 0.000 1.045 223 V CB 0.556 32.369 31.823 -0.018 0.000 0.974 223 V HN 0.724 nan 8.190 nan 0.000 0.480 224 Q N 3.542 123.183 119.800 -0.266 0.000 2.294 224 Q HA 0.442 4.787 4.340 0.008 0.000 0.264 224 Q C -1.266 174.264 176.000 -0.782 0.000 0.992 224 Q CA -0.574 54.901 55.803 -0.547 0.000 0.747 224 Q CB 2.513 30.822 28.738 -0.715 0.000 1.262 224 Q HN 0.593 nan 8.270 nan 0.000 0.452 225 V N 3.376 122.961 119.914 -0.549 0.000 2.583 225 V HA 0.417 4.541 4.120 0.008 0.000 0.287 225 V C -0.415 175.475 176.094 -0.339 0.000 1.051 225 V CA 0.207 62.298 62.300 -0.348 0.000 1.010 225 V CB 0.359 32.096 31.823 -0.143 0.000 0.988 225 V HN 0.611 nan 8.190 nan 0.000 0.478 226 F N 3.143 123.119 119.950 0.044 0.000 2.612 226 F HA 0.411 4.943 4.527 0.008 0.000 0.332 226 F C 0.495 176.286 175.800 -0.014 0.000 1.167 226 F CA -1.090 56.921 58.000 0.017 0.000 0.970 226 F CB 1.554 40.556 39.000 0.003 0.000 1.234 226 F HN 0.365 nan 8.300 nan 0.000 0.453 227 K N 3.083 123.568 120.400 0.142 0.000 2.469 227 K HA 0.137 4.462 4.320 0.008 0.000 0.274 227 K C -0.318 176.227 176.600 -0.091 0.000 0.983 227 K CA 0.172 56.380 56.287 -0.133 0.000 0.974 227 K CB 0.914 33.324 32.500 -0.149 0.000 0.913 227 K HN 0.541 nan 8.250 nan 0.000 0.493 228 K N 0.958 121.259 120.400 -0.165 0.000 2.316 228 K HA 0.341 4.666 4.320 0.008 0.000 0.251 228 K C -0.655 175.882 176.600 -0.106 0.000 0.934 228 K CA -0.618 55.609 56.287 -0.100 0.000 0.802 228 K CB 1.694 34.148 32.500 -0.076 0.000 1.171 228 K HN 0.735 nan 8.250 nan 0.000 0.426 229 A N 2.078 124.851 122.820 -0.078 0.000 2.672 229 A HA -0.036 4.289 4.320 0.008 0.000 0.232 229 A C 1.129 178.678 177.584 -0.059 0.000 1.121 229 A CA 1.278 53.277 52.037 -0.063 0.000 0.829 229 A CB -0.207 18.763 19.000 -0.051 0.000 1.027 229 A HN 0.964 nan 8.150 nan 0.000 0.515 230 A N 1.266 124.060 122.820 -0.044 0.000 1.872 230 A HA 0.100 4.424 4.320 0.008 0.000 0.214 230 A C -0.308 177.260 177.584 -0.027 0.000 1.187 230 A CA 1.395 53.412 52.037 -0.034 0.000 0.614 230 A CB -1.285 17.701 19.000 -0.024 0.000 0.826 230 A HN 0.744 nan 8.150 nan 0.000 0.442 231 P HA 0.091 nan 4.420 nan 0.000 0.261 231 P C -0.163 177.123 177.300 -0.023 0.000 1.650 231 P CA 0.703 63.792 63.100 -0.019 0.000 0.846 231 P CB -0.441 31.249 31.700 -0.016 0.000 1.758 232 S N 0.784 116.466 115.700 -0.031 0.000 2.632 232 S HA 0.625 5.100 4.470 0.008 0.000 0.289 232 S C -2.008 172.566 174.600 -0.043 0.000 1.115 232 S CA -1.547 56.628 58.200 -0.042 0.000 0.889 232 S CB 2.048 65.213 63.200 -0.058 0.000 1.116 232 S HN -0.126 nan 8.310 nan 0.000 0.486 233 P HA 0.229 nan 4.420 nan 0.000 0.224 233 P C 0.003 177.234 177.300 -0.116 0.000 1.159 233 P CA 0.365 63.431 63.100 -0.058 0.000 0.824 233 P CB -0.270 31.402 31.700 -0.046 0.000 0.833 234 I N 0.083 120.531 120.570 -0.202 0.000 2.440 234 I HA 0.252 4.426 4.170 0.008 0.000 0.294 234 I C 1.566 177.622 176.117 -0.103 0.000 0.995 234 I CA -0.550 60.611 61.300 -0.232 0.000 1.306 234 I CB 0.627 38.424 38.000 -0.338 0.000 1.407 234 I HN -0.182 nan 8.210 nan 0.000 0.501 235 S N 2.582 118.266 115.700 -0.026 0.000 2.475 235 S HA 0.247 4.722 4.470 0.008 0.000 0.224 235 S C 0.542 175.014 174.600 -0.213 0.000 1.042 235 S CA 0.296 58.468 58.200 -0.047 0.000 0.935 235 S CB -0.340 62.931 63.200 0.119 0.000 0.801 235 S HN 0.720 nan 8.310 nan 0.000 0.509 236 H N -0.801 118.269 119.070 0.000 0.000 2.985 236 H HA 0.733 5.294 4.556 0.008 0.000 0.360 236 H C -1.702 173.641 175.328 0.025 0.000 1.221 236 H CA -0.748 55.313 56.048 0.022 0.000 1.121 236 H CB 2.210 31.982 29.762 0.017 0.000 1.854 236 H HN 0.075 nan 8.280 nan 0.000 0.551 237 V N 0.593 120.608 119.914 0.169 0.000 2.891 237 V HA 0.488 4.613 4.120 0.008 0.000 0.304 237 V C -0.755 175.384 176.094 0.074 0.000 1.171 237 V CA -0.862 61.508 62.300 0.117 0.000 0.943 237 V CB 1.892 33.781 31.823 0.110 0.000 1.037 237 V HN 0.927 nan 8.190 nan 0.000 0.427 238 A N 3.541 126.390 122.820 0.048 0.000 2.303 238 A HA 0.874 5.198 4.320 0.008 0.000 0.320 238 A C -0.419 177.177 177.584 0.020 0.000 1.192 238 A CA -0.459 51.568 52.037 -0.016 0.000 0.821 238 A CB 0.773 19.768 19.000 -0.009 0.000 1.188 238 A HN 0.847 nan 8.150 nan 0.000 0.492 239 E N 0.783 120.966 120.200 -0.029 0.000 2.281 239 E HA 0.715 5.070 4.350 0.008 0.000 0.262 239 E C -1.334 175.291 176.600 0.041 0.000 0.933 239 E CA -0.721 55.702 56.400 0.039 0.000 0.809 239 E CB 2.775 32.521 29.700 0.077 0.000 1.242 239 E HN 0.592 nan 8.360 nan 0.000 0.418 240 I N 1.283 121.902 120.570 0.082 0.000 2.622 240 I HA 0.172 4.346 4.170 0.008 0.000 0.283 240 I C -1.202 174.953 176.117 0.064 0.000 1.202 240 I CA -0.422 60.933 61.300 0.091 0.000 1.075 240 I CB 0.899 39.006 38.000 0.178 0.000 1.274 240 I HN 0.410 nan 8.210 nan 0.000 0.450 241 R N 5.672 126.196 120.500 0.040 0.000 2.351 241 R HA 0.276 4.621 4.340 0.008 0.000 0.321 241 R C -0.436 175.856 176.300 -0.014 0.000 1.182 241 R CA 0.053 56.169 56.100 0.027 0.000 1.011 241 R CB 0.296 30.613 30.300 0.028 0.000 1.048 241 R HN 0.671 nan 8.270 nan 0.000 0.490 242 S N 2.417 118.115 115.700 -0.002 0.000 2.525 242 S HA 0.781 5.256 4.470 0.008 0.000 0.278 242 S C -0.310 174.302 174.600 0.020 0.000 1.234 242 S CA -0.635 57.542 58.200 -0.038 0.000 1.058 242 S CB 2.087 65.310 63.200 0.039 0.000 0.983 242 S HN 0.671 nan 8.310 nan 0.000 0.495 243 A N 2.254 125.073 122.820 -0.002 0.000 2.533 243 A HA 0.796 5.121 4.320 0.008 0.000 0.293 243 A C -1.627 175.983 177.584 0.044 0.000 1.228 243 A CA -1.028 51.039 52.037 0.051 0.000 0.689 243 A CB 0.862 19.886 19.000 0.041 0.000 1.303 243 A HN 0.796 nan 8.150 nan 0.000 0.444 244 L N 0.971 122.217 121.223 0.038 0.000 2.342 244 L HA 0.374 4.719 4.340 0.008 0.000 0.276 244 L C 1.019 177.899 176.870 0.016 0.000 0.997 244 L CA -0.358 54.490 54.840 0.013 0.000 0.838 244 L CB 1.593 43.624 42.059 -0.046 0.000 1.224 244 L HN 1.004 nan 8.230 nan 0.000 0.416 245 E N 2.044 122.261 120.200 0.028 0.000 2.108 245 E HA -0.212 4.142 4.350 0.008 0.000 0.203 245 E C -0.098 176.517 176.600 0.025 0.000 1.022 245 E CA 1.611 58.030 56.400 0.032 0.000 0.823 245 E CB 0.102 29.827 29.700 0.043 0.000 0.744 245 E HN 0.489 nan 8.360 nan 0.000 0.456 246 K N -1.202 119.205 120.400 0.011 0.000 2.469 246 K HA 0.467 4.792 4.320 0.008 0.000 0.254 246 K C -0.676 175.911 176.600 -0.021 0.000 0.939 246 K CA -0.148 56.142 56.287 0.005 0.000 0.812 246 K CB 2.373 34.877 32.500 0.007 0.000 1.301 246 K HN 0.155 nan 8.250 nan 0.000 0.433 247 G N 1.465 110.256 108.800 -0.015 0.000 3.038 247 G HA2 -0.181 3.783 3.960 0.008 0.000 0.241 247 G HA3 -0.181 3.783 3.960 0.008 0.000 0.241 247 G C 0.257 175.099 174.900 -0.097 0.000 0.968 247 G CA 0.648 45.722 45.100 -0.044 0.000 0.949 247 G HN 0.781 nan 8.290 nan 0.000 0.394 248 S N 1.712 117.377 115.700 -0.057 0.000 4.035 248 S HA -0.342 4.133 4.470 0.008 0.000 0.251 248 S C 1.256 175.863 174.600 0.012 0.000 1.813 248 S CA 2.028 60.185 58.200 -0.072 0.000 4.119 248 S CB -1.409 61.572 63.200 -0.365 0.000 0.327 248 S HN 2.524 nan 8.310 nan 0.000 0.457 249 R N 0.100 120.574 120.500 -0.044 0.000 3.155 249 R HA -0.050 4.295 4.340 0.008 0.000 0.267 249 R C -0.086 176.339 176.300 0.208 0.000 1.078 249 R CA 0.726 56.862 56.100 0.060 0.000 0.712 249 R CB -2.616 27.731 30.300 0.078 0.000 1.287 249 R HN 0.534 nan 8.270 nan 0.000 0.395 250 F N 0.924 120.900 119.950 0.044 0.000 2.589 250 F HA 0.072 4.604 4.527 0.008 0.000 0.352 250 F C 1.532 177.359 175.800 0.044 0.000 1.168 250 F CA -0.034 57.997 58.000 0.051 0.000 1.353 250 F CB 0.494 39.529 39.000 0.059 0.000 1.116 250 F HN 0.100 nan 8.300 nan 0.000 0.608 251 I N 2.631 123.326 120.570 0.208 0.000 2.641 251 I HA 0.084 4.259 4.170 0.008 0.000 0.275 251 I C -0.947 175.211 176.117 0.068 0.000 1.129 251 I CA -0.231 61.138 61.300 0.114 0.000 1.094 251 I CB 1.111 39.159 38.000 0.080 0.000 1.232 251 I HN 0.371 nan 8.210 nan 0.000 0.503 252 S N 1.970 117.723 115.700 0.089 0.000 2.622 252 S HA 0.428 4.902 4.470 0.008 0.000 0.283 252 S C -0.089 174.559 174.600 0.079 0.000 1.197 252 S CA -0.646 57.598 58.200 0.073 0.000 1.146 252 S CB 0.886 64.153 63.200 0.112 0.000 1.007 252 S HN 0.374 nan 8.310 nan 0.000 0.478 253 T N 4.758 119.351 114.554 0.066 0.000 2.814 253 T HA 0.343 4.697 4.350 0.008 0.000 0.297 253 T C 0.121 174.879 174.700 0.097 0.000 0.956 253 T CA -0.399 61.746 62.100 0.075 0.000 1.123 253 T CB 0.349 69.258 68.868 0.069 0.000 0.902 253 T HN 0.689 nan 8.240 nan 0.000 0.528 254 L N 3.413 124.703 121.223 0.112 0.000 2.375 254 L HA 0.458 4.803 4.340 0.008 0.000 0.271 254 L C -0.362 176.594 176.870 0.144 0.000 1.107 254 L CA 0.054 54.985 54.840 0.152 0.000 0.806 254 L CB 0.874 43.035 42.059 0.169 0.000 1.146 254 L HN 0.609 nan 8.230 nan 0.000 0.447 255 Q N 4.101 123.993 119.800 0.153 0.000 2.337 255 Q HA 0.406 4.751 4.340 0.008 0.000 0.260 255 Q C -1.443 174.648 176.000 0.152 0.000 0.982 255 Q CA -0.727 55.158 55.803 0.137 0.000 0.734 255 Q CB 2.258 31.069 28.738 0.120 0.000 1.272 255 Q HN 0.565 nan 8.270 nan 0.000 0.461 256 V N 3.550 123.549 119.914 0.143 0.000 2.339 256 V HA 0.191 4.315 4.120 0.008 0.000 0.261 256 V C -0.003 176.177 176.094 0.142 0.000 1.058 256 V CA -0.297 62.093 62.300 0.150 0.000 0.897 256 V CB 0.018 31.923 31.823 0.136 0.000 1.052 256 V HN 0.545 nan 8.190 nan 0.000 0.480 257 K N 4.022 124.529 120.400 0.179 0.000 2.118 257 K HA 0.600 4.925 4.320 0.008 0.000 0.267 257 K C -0.587 176.151 176.600 0.231 0.000 0.991 257 K CA -0.832 55.558 56.287 0.171 0.000 0.916 257 K CB 1.752 34.347 32.500 0.158 0.000 1.041 257 K HN 0.436 nan 8.250 nan 0.000 0.455 258 L N 3.469 124.797 121.223 0.175 0.000 2.387 258 L HA 0.295 4.639 4.340 0.008 0.000 0.259 258 L C -1.391 175.603 176.870 0.207 0.000 1.050 258 L CA -0.459 54.502 54.840 0.203 0.000 0.922 258 L CB -0.205 41.939 42.059 0.142 0.000 1.280 258 L HN 0.401 nan 8.230 nan 0.000 0.449 259 Y N 2.998 123.344 120.300 0.076 0.000 2.683 259 Y HA 0.438 4.992 4.550 0.008 0.000 0.340 259 Y C 1.382 177.321 175.900 0.065 0.000 1.245 259 Y CA 0.726 58.866 58.100 0.067 0.000 1.485 259 Y CB 0.458 38.954 38.460 0.061 0.000 1.328 259 Y HN 0.822 nan 8.280 nan 0.000 0.603 260 G N 2.893 111.795 108.800 0.169 0.000 3.421 260 G HA2 -0.135 3.829 3.960 0.008 0.000 0.686 260 G HA3 -0.135 3.829 3.960 0.008 0.000 0.686 260 G C -0.580 174.376 174.900 0.093 0.000 1.056 260 G CA -1.101 44.071 45.100 0.121 0.000 0.891 260 G HN 0.592 nan 8.290 nan 0.000 0.514 261 R N 1.299 121.840 120.500 0.068 0.000 2.580 261 R HA 0.315 4.660 4.340 0.008 0.000 0.267 261 R C 0.585 176.924 176.300 0.065 0.000 1.125 261 R CA -0.697 55.439 56.100 0.060 0.000 1.188 261 R CB 0.813 31.133 30.300 0.033 0.000 1.155 261 R HN 0.671 nan 8.270 nan 0.000 0.586 262 E N 0.483 120.723 120.200 0.065 0.000 2.603 262 E HA -0.052 4.303 4.350 0.008 0.000 0.242 262 E C 0.562 177.189 176.600 0.044 0.000 1.083 262 E CA 1.034 57.469 56.400 0.058 0.000 0.950 262 E CB 0.068 29.801 29.700 0.055 0.000 0.952 262 E HN 0.863 nan 8.360 nan 0.000 0.498 263 G N 2.928 111.754 108.800 0.043 0.000 2.195 263 G HA2 -0.317 3.647 3.960 0.008 0.000 0.224 263 G HA3 -0.317 3.647 3.960 0.008 0.000 0.224 263 G C 0.441 175.365 174.900 0.040 0.000 0.990 263 G CA 0.152 45.274 45.100 0.038 0.000 0.639 263 G HN 0.682 nan 8.290 nan 0.000 0.514 264 S N 0.369 116.097 115.700 0.046 0.000 2.580 264 S HA 0.478 4.952 4.470 0.008 0.000 0.261 264 S C 0.784 175.413 174.600 0.048 0.000 1.366 264 S CA 0.725 58.955 58.200 0.049 0.000 0.996 264 S CB 1.151 64.388 63.200 0.062 0.000 0.902 264 S HN 1.882 nan 8.310 nan 0.000 0.566 265 S N 0.388 116.117 115.700 0.048 0.000 2.400 265 S HA 0.557 5.031 4.470 0.008 0.000 0.295 265 S C 0.373 175.003 174.600 0.049 0.000 1.113 265 S CA -0.363 57.863 58.200 0.044 0.000 1.064 265 S CB -0.492 62.731 63.200 0.039 0.000 0.990 265 S HN 2.281 nan 8.310 nan 0.000 0.502 266 A N 2.830 125.677 122.820 0.046 0.000 2.089 266 A HA -0.142 4.183 4.320 0.008 0.000 0.260 266 A C 0.270 177.891 177.584 0.062 0.000 1.378 266 A CA -0.126 51.939 52.037 0.046 0.000 0.714 266 A CB -1.634 17.389 19.000 0.039 0.000 1.180 266 A HN 0.872 nan 8.150 nan 0.000 0.304 267 R N 1.173 121.711 120.500 0.064 0.000 2.291 267 R HA 0.323 4.667 4.340 0.008 0.000 0.333 267 R C 0.681 177.030 176.300 0.082 0.000 1.082 267 R CA 0.791 56.942 56.100 0.084 0.000 0.948 267 R CB 0.633 30.976 30.300 0.072 0.000 1.009 267 R HN 0.767 nan 8.270 nan 0.000 0.460 268 T N 2.797 117.413 114.554 0.104 0.000 2.943 268 T HA 0.534 4.888 4.350 0.008 0.000 0.284 268 T C 0.047 174.826 174.700 0.131 0.000 1.015 268 T CA -0.645 61.507 62.100 0.085 0.000 1.042 268 T CB 0.812 69.703 68.868 0.038 0.000 1.055 268 T HN 0.377 nan 8.240 nan 0.000 0.500 269 I N 3.439 124.074 120.570 0.109 0.000 2.389 269 I HA 0.463 4.637 4.170 0.008 0.000 0.288 269 I C 0.119 176.316 176.117 0.134 0.000 0.999 269 I CA -0.792 60.594 61.300 0.144 0.000 1.129 269 I CB 1.678 39.750 38.000 0.120 0.000 1.288 269 I HN 0.564 nan 8.210 nan 0.000 0.444 270 K N 4.309 124.818 120.400 0.182 0.000 2.352 270 K HA 0.922 5.246 4.320 0.008 0.000 0.240 270 K C -0.892 175.817 176.600 0.182 0.000 1.017 270 K CA -0.818 55.556 56.287 0.144 0.000 0.851 270 K CB 2.612 35.141 32.500 0.048 0.000 1.261 270 K HN 0.616 nan 8.250 nan 0.000 0.451 271 A N 0.354 123.263 122.820 0.149 0.000 2.435 271 A HA 0.740 5.065 4.320 0.008 0.000 0.296 271 A C -1.112 176.555 177.584 0.139 0.000 1.147 271 A CA -0.602 51.527 52.037 0.154 0.000 0.775 271 A CB 1.840 20.924 19.000 0.140 0.000 1.340 271 A HN 0.492 nan 8.150 nan 0.000 0.427 272 T N 1.434 116.077 114.554 0.148 0.000 2.847 272 T HA 0.539 4.894 4.350 0.008 0.000 0.291 272 T C -0.701 174.084 174.700 0.141 0.000 0.998 272 T CA -0.070 62.107 62.100 0.127 0.000 0.967 272 T CB 0.268 69.211 68.868 0.125 0.000 0.954 272 T HN 0.447 nan 8.240 nan 0.000 0.441 273 L N 5.439 126.725 121.223 0.104 0.000 2.344 273 L HA 0.569 4.913 4.340 0.008 0.000 0.272 273 L C -1.756 175.183 176.870 0.115 0.000 1.035 273 L CA -2.460 52.454 54.840 0.124 0.000 0.807 273 L CB 1.380 43.456 42.059 0.028 0.000 1.237 273 L HN 0.360 nan 8.230 nan 0.000 0.442 274 P HA -0.029 nan 4.420 nan 0.000 0.272 274 P C -0.464 176.988 177.300 0.253 0.000 1.240 274 P CA -0.011 63.200 63.100 0.184 0.000 0.791 274 P CB 0.263 32.140 31.700 0.294 0.000 0.978 275 Y N -2.712 117.579 120.300 -0.015 0.000 4.548 275 Y HA -0.220 4.335 4.550 0.008 0.000 0.212 275 Y C 0.750 176.654 175.900 0.005 0.000 1.049 275 Y CA 0.643 58.741 58.100 -0.002 0.000 1.809 275 Y CB -2.297 36.148 38.460 -0.024 0.000 1.601 275 Y HN 0.249 nan 8.280 nan 0.000 0.605 276 I N 0.741 121.379 120.570 0.113 0.000 2.382 276 I HA 0.139 4.314 4.170 0.008 0.000 0.286 276 I C 0.688 176.834 176.117 0.049 0.000 1.002 276 I CA -0.904 60.436 61.300 0.067 0.000 1.135 276 I CB 1.455 39.458 38.000 0.004 0.000 1.288 276 I HN -0.030 nan 8.210 nan 0.000 0.448 277 K N 5.983 126.413 120.400 0.050 0.000 2.914 277 K HA 0.072 4.396 4.320 0.008 0.000 0.246 277 K C -0.051 176.558 176.600 0.016 0.000 0.949 277 K CA 0.280 56.586 56.287 0.032 0.000 1.136 277 K CB -0.130 32.389 32.500 0.032 0.000 0.976 277 K HN 0.581 nan 8.250 nan 0.000 0.473 278 Q N -0.479 119.329 119.800 0.013 0.000 2.943 278 Q HA 0.112 4.457 4.340 0.008 0.000 0.305 278 Q C -1.866 174.150 176.000 0.027 0.000 0.873 278 Q CA -0.793 55.017 55.803 0.013 0.000 0.773 278 Q CB 1.781 30.502 28.738 -0.028 0.000 1.501 278 Q HN 0.086 nan 8.270 nan 0.000 0.442 279 D N 1.106 121.534 120.400 0.046 0.000 2.193 279 D HA 0.534 5.179 4.640 0.008 0.000 0.249 279 D C -0.744 175.590 176.300 0.056 0.000 1.034 279 D CA -0.006 54.037 54.000 0.071 0.000 0.902 279 D CB 1.167 42.037 40.800 0.117 0.000 1.182 279 D HN 0.315 nan 8.370 nan 0.000 0.436 280 I N 3.106 123.724 120.570 0.079 0.000 2.439 280 I HA 0.166 4.341 4.170 0.008 0.000 0.283 280 I C -2.268 173.925 176.117 0.127 0.000 1.023 280 I CA -2.249 59.133 61.300 0.135 0.000 1.100 280 I CB 2.432 40.496 38.000 0.107 0.000 1.238 280 I HN -0.023 nan 8.210 nan 0.000 0.445 281 P HA -0.093 nan 4.420 nan 0.000 0.261 281 P C 1.213 178.577 177.300 0.107 0.000 1.165 281 P CA 0.430 63.579 63.100 0.082 0.000 0.759 281 P CB 0.474 32.195 31.700 0.036 0.000 0.772 282 I N 2.029 122.677 120.570 0.131 0.000 2.113 282 I HA -0.313 3.862 4.170 0.008 0.000 0.242 282 I C 1.759 178.046 176.117 0.284 0.000 1.057 282 I CA 1.738 63.152 61.300 0.191 0.000 1.314 282 I CB -1.449 36.709 38.000 0.263 0.000 1.022 282 I HN 0.035 nan 8.210 nan 0.000 0.408 283 V N 2.028 122.090 119.914 0.246 0.000 2.250 283 V HA -0.325 3.799 4.120 0.008 0.000 0.250 283 V C 2.676 178.888 176.094 0.196 0.000 1.060 283 V CA 2.660 65.100 62.300 0.233 0.000 1.030 283 V CB -0.912 30.969 31.823 0.097 0.000 0.643 283 V HN 0.481 nan 8.190 nan 0.000 0.445 284 I N -0.212 120.421 120.570 0.105 0.000 2.113 284 I HA -0.321 3.853 4.170 0.008 0.000 0.242 284 I C 2.408 178.571 176.117 0.076 0.000 1.064 284 I CA 2.169 63.515 61.300 0.078 0.000 1.320 284 I CB -0.514 37.541 38.000 0.092 0.000 1.028 284 I HN 0.260 nan 8.210 nan 0.000 0.406 285 I N -0.083 120.512 120.570 0.041 0.000 2.264 285 I HA -0.319 3.855 4.170 0.008 0.000 0.248 285 I C 2.484 178.531 176.117 -0.117 0.000 1.111 285 I CA 1.697 62.937 61.300 -0.100 0.000 1.382 285 I CB -0.401 37.483 38.000 -0.193 0.000 1.060 285 I HN 0.087 nan 8.210 nan 0.000 0.418 286 F N 1.047 120.976 119.950 -0.035 0.000 2.051 286 F HA -0.213 4.319 4.527 0.008 0.000 0.296 286 F C 2.827 178.591 175.800 -0.060 0.000 1.122 286 F CA 1.578 59.548 58.000 -0.050 0.000 1.201 286 F CB -0.283 38.695 39.000 -0.037 0.000 0.978 286 F HN -0.159 nan 8.300 nan 0.000 0.472 287 R N -0.082 120.524 120.500 0.177 0.000 2.105 287 R HA -0.173 4.172 4.340 0.008 0.000 0.239 287 R C 2.326 178.650 176.300 0.040 0.000 1.135 287 R CA 1.154 57.304 56.100 0.084 0.000 0.967 287 R CB -0.772 29.562 30.300 0.057 0.000 0.861 287 R HN 0.306 nan 8.270 nan 0.000 0.442 288 A N 0.848 123.681 122.820 0.021 0.000 1.978 288 A HA -0.124 4.200 4.320 0.008 0.000 0.220 288 A C 1.987 179.553 177.584 -0.031 0.000 1.170 288 A CA 1.170 53.200 52.037 -0.011 0.000 0.636 288 A CB -0.353 18.624 19.000 -0.039 0.000 0.810 288 A HN 0.225 nan 8.150 nan 0.000 0.448 289 L N -1.975 119.224 121.223 -0.039 0.000 2.554 289 L HA 0.191 4.536 4.340 0.008 0.000 0.226 289 L C 1.781 178.646 176.870 -0.008 0.000 1.137 289 L CA 0.642 55.458 54.840 -0.040 0.000 0.863 289 L CB 0.137 42.146 42.059 -0.083 0.000 0.985 289 L HN 0.608 nan 8.230 nan 0.000 0.451 290 G N -0.006 108.799 108.800 0.008 0.000 2.316 290 G HA2 -0.207 3.758 3.960 0.008 0.000 0.203 290 G HA3 -0.207 3.758 3.960 0.008 0.000 0.203 290 G C 0.281 175.190 174.900 0.015 0.000 0.999 290 G CA -0.495 44.610 45.100 0.008 0.000 0.649 290 G HN 0.148 nan 8.290 nan 0.000 0.489 291 I N 2.177 122.767 120.570 0.033 0.000 2.301 291 I HA 0.406 4.581 4.170 0.008 0.000 0.292 291 I C 1.398 177.538 176.117 0.039 0.000 1.046 291 I CA -0.374 60.941 61.300 0.025 0.000 1.282 291 I CB 0.872 38.870 38.000 -0.004 0.000 1.409 291 I HN 0.093 nan 8.210 nan 0.000 0.484 292 I N 6.511 127.091 120.570 0.016 0.000 2.899 292 I HA 0.108 4.283 4.170 0.008 0.000 0.257 292 I C -1.488 174.630 176.117 0.001 0.000 1.115 292 I CA -0.210 61.099 61.300 0.015 0.000 1.451 292 I CB -0.454 37.554 38.000 0.013 0.000 1.251 292 I HN 0.390 nan 8.210 nan 0.000 0.456 293 P HA -0.016 nan 4.420 nan 0.000 0.263 293 P C -1.032 176.246 177.300 -0.036 0.000 1.195 293 P CA 0.306 63.399 63.100 -0.012 0.000 0.762 293 P CB 0.199 31.890 31.700 -0.014 0.000 0.799 294 D N 2.353 122.739 120.400 -0.023 0.000 2.406 294 D HA 0.129 4.773 4.640 0.008 0.000 0.234 294 D C 1.809 178.071 176.300 -0.063 0.000 1.196 294 D CA 1.487 55.460 54.000 -0.044 0.000 0.881 294 D CB -0.173 40.610 40.800 -0.029 0.000 1.205 294 D HN 0.680 nan 8.370 nan 0.000 0.453 295 G N 1.316 110.068 108.800 -0.080 0.000 2.435 295 G HA2 -0.438 3.526 3.960 0.008 0.000 0.245 295 G HA3 -0.438 3.526 3.960 0.008 0.000 0.245 295 G C 1.017 175.866 174.900 -0.084 0.000 1.073 295 G CA 0.730 45.783 45.100 -0.078 0.000 0.638 295 G HN 0.589 nan 8.290 nan 0.000 0.521 296 E N 0.079 120.234 120.200 -0.075 0.000 2.299 296 E HA 0.255 4.610 4.350 0.008 0.000 0.193 296 E C 2.518 179.102 176.600 -0.026 0.000 0.998 296 E CA 0.525 56.898 56.400 -0.045 0.000 0.851 296 E CB -0.066 29.622 29.700 -0.020 0.000 0.795 296 E HN 0.675 nan 8.360 nan 0.000 0.492 297 I N 0.684 121.164 120.570 -0.151 0.000 2.339 297 I HA -0.199 3.976 4.170 0.008 0.000 0.245 297 I C 1.991 177.922 176.117 -0.311 0.000 1.096 297 I CA 0.569 61.623 61.300 -0.411 0.000 1.408 297 I CB -0.012 37.672 38.000 -0.527 0.000 1.092 297 I HN 0.181 nan 8.210 nan 0.000 0.423 298 L N 0.268 121.387 121.223 -0.174 0.000 2.353 298 L HA -0.173 4.171 4.340 0.008 0.000 0.220 298 L C 2.261 179.107 176.870 -0.041 0.000 1.133 298 L CA 1.165 55.945 54.840 -0.101 0.000 0.798 298 L CB -0.802 41.215 42.059 -0.070 0.000 0.922 298 L HN 0.353 nan 8.230 nan 0.000 0.445 299 E N -0.368 119.818 120.200 -0.024 0.000 2.047 299 E HA -0.180 4.174 4.350 0.008 0.000 0.191 299 E C 2.028 178.724 176.600 0.160 0.000 0.987 299 E CA 0.862 57.280 56.400 0.031 0.000 0.799 299 E CB -0.062 29.610 29.700 -0.046 0.000 0.752 299 E HN 0.606 nan 8.360 nan 0.000 0.449 300 H N -0.027 119.130 119.070 0.144 0.000 2.518 300 H HA -0.038 4.523 4.556 0.008 0.000 0.289 300 H C 1.950 177.525 175.328 0.413 0.000 1.051 300 H CA 0.788 57.074 56.048 0.396 0.000 1.280 300 H CB 0.315 30.179 29.762 0.170 0.000 1.380 300 H HN 0.209 nan 8.280 nan 0.000 0.566 301 I N -0.395 120.290 120.570 0.191 0.000 3.313 301 I HA -0.076 4.098 4.170 0.008 0.000 0.233 301 I C 1.232 177.119 176.117 -0.384 0.000 1.050 301 I CA 0.024 61.323 61.300 -0.002 0.000 1.499 301 I CB 0.076 38.084 38.000 0.013 0.000 1.373 301 I HN 0.083 nan 8.210 nan 0.000 0.458 302 C N 1.825 120.980 119.300 -0.242 0.000 2.585 302 C HA 0.159 4.623 4.460 0.008 0.000 0.406 302 C C 0.229 175.110 174.990 -0.181 0.000 1.312 302 C CA -0.311 58.556 59.018 -0.253 0.000 1.924 302 C CB -1.168 26.513 27.740 -0.099 0.000 2.578 302 C HN 0.393 nan 8.230 nan 0.000 0.580 303 Y N 4.491 124.864 120.300 0.122 0.000 2.783 303 Y HA 0.394 4.949 4.550 0.008 0.000 0.382 303 Y C 0.412 176.371 175.900 0.098 0.000 1.076 303 Y CA -0.488 57.694 58.100 0.138 0.000 1.530 303 Y CB -0.009 38.565 38.460 0.190 0.000 1.546 303 Y HN 0.771 nan 8.280 nan 0.000 0.537 304 D N -0.723 119.788 120.400 0.184 0.000 2.575 304 D HA 0.014 4.659 4.640 0.008 0.000 0.214 304 D C -0.270 176.084 176.300 0.090 0.000 1.100 304 D CA -0.278 53.799 54.000 0.129 0.000 0.790 304 D CB 1.287 42.149 40.800 0.104 0.000 2.767 304 D HN 0.010 nan 8.370 nan 0.000 0.474 305 V N 2.846 122.812 119.914 0.086 0.000 3.541 305 V HA 0.077 4.202 4.120 0.008 0.000 0.267 305 V C 1.501 177.646 176.094 0.086 0.000 1.213 305 V CA 0.520 62.860 62.300 0.067 0.000 1.149 305 V CB -0.427 31.425 31.823 0.050 0.000 0.822 305 V HN 0.506 nan 8.190 nan 0.000 0.462 306 N N 0.581 119.338 118.700 0.095 0.000 2.314 306 N HA 0.013 4.758 4.740 0.008 0.000 0.200 306 N C 0.513 176.108 175.510 0.142 0.000 1.135 306 N CA 0.257 53.383 53.050 0.127 0.000 0.835 306 N CB 0.272 38.823 38.487 0.106 0.000 0.989 306 N HN 0.380 nan 8.380 nan 0.000 0.478 307 D N 1.195 121.642 120.400 0.078 0.000 3.179 307 D HA -0.000 4.644 4.640 0.008 0.000 0.267 307 D C 1.605 177.860 176.300 -0.075 0.000 1.348 307 D CA -0.750 53.226 54.000 -0.041 0.000 0.897 307 D CB -0.236 40.528 40.800 -0.061 0.000 1.062 307 D HN 0.228 nan 8.370 nan 0.000 0.494 308 W N 0.884 122.181 121.300 -0.004 0.000 2.290 308 W HA -0.285 4.380 4.660 0.008 0.000 0.311 308 W C 1.250 177.762 176.519 -0.013 0.000 1.238 308 W CA 0.532 57.871 57.345 -0.010 0.000 1.255 308 W CB -0.975 28.479 29.460 -0.009 0.000 1.145 308 W HN 0.194 nan 8.180 nan 0.000 0.506 309 Q N 0.524 119.652 119.800 -1.119 0.000 2.082 309 Q HA -0.304 4.041 4.340 0.008 0.000 0.211 309 Q C 2.438 178.203 176.000 -0.392 0.000 1.002 309 Q CA 3.015 58.194 55.803 -1.041 0.000 0.868 309 Q CB -0.641 27.456 28.738 -1.068 0.000 0.931 309 Q HN 0.508 nan 8.270 nan 0.000 0.414 310 M N 0.096 119.524 119.600 -0.286 0.000 2.081 310 M HA -0.165 4.320 4.480 0.008 0.000 0.261 310 M C 2.202 178.451 176.300 -0.086 0.000 1.075 310 M CA 1.140 56.343 55.300 -0.162 0.000 1.133 310 M CB -0.111 32.404 32.600 -0.142 0.000 1.330 310 M HN 0.203 nan 8.290 nan 0.000 0.414 311 L N 0.359 121.552 121.223 -0.050 0.000 2.054 311 L HA -0.323 4.021 4.340 0.008 0.000 0.220 311 L C 2.430 179.313 176.870 0.022 0.000 1.081 311 L CA 2.060 56.900 54.840 0.000 0.000 0.780 311 L CB -0.907 41.178 42.059 0.044 0.000 0.893 311 L HN 0.422 nan 8.230 nan 0.000 0.438 312 E N 0.203 120.438 120.200 0.060 0.000 2.033 312 E HA -0.283 4.072 4.350 0.008 0.000 0.199 312 E C 2.215 178.834 176.600 0.032 0.000 1.011 312 E CA 1.842 58.291 56.400 0.082 0.000 0.815 312 E CB -0.267 29.529 29.700 0.160 0.000 0.755 312 E HN 0.252 nan 8.360 nan 0.000 0.451 313 M N -0.280 119.320 119.600 -0.000 0.000 2.192 313 M HA -0.231 4.254 4.480 0.008 0.000 0.256 313 M C 2.235 178.536 176.300 0.001 0.000 1.076 313 M CA 1.407 56.701 55.300 -0.009 0.000 1.075 313 M CB -0.492 32.081 32.600 -0.044 0.000 1.368 313 M HN 0.259 nan 8.290 nan 0.000 0.406 314 L N -1.030 120.191 121.223 -0.003 0.000 2.313 314 L HA -0.142 4.203 4.340 0.008 0.000 0.214 314 L C 2.337 179.211 176.870 0.006 0.000 1.119 314 L CA 0.427 55.269 54.840 0.003 0.000 0.809 314 L CB -0.459 41.595 42.059 -0.009 0.000 0.933 314 L HN 0.270 nan 8.230 nan 0.000 0.449 315 K N 0.841 121.245 120.400 0.006 0.000 2.013 315 K HA -0.222 4.103 4.320 0.008 0.000 0.225 315 K C -0.522 176.080 176.600 0.002 0.000 1.056 315 K CA 2.252 58.539 56.287 -0.000 0.000 0.971 315 K CB -1.452 31.051 32.500 0.005 0.000 0.731 315 K HN 0.246 nan 8.250 nan 0.000 0.450 316 P HA -0.172 nan 4.420 nan 0.000 0.227 316 P C 1.014 178.327 177.300 0.021 0.000 1.145 316 P CA 1.262 64.371 63.100 0.016 0.000 0.769 316 P CB -0.127 31.588 31.700 0.025 0.000 0.769 317 C N -0.908 118.406 119.300 0.023 0.000 2.492 317 C HA -0.018 4.446 4.460 0.008 0.000 0.279 317 C C 2.881 177.888 174.990 0.029 0.000 1.335 317 C CA 0.349 59.386 59.018 0.033 0.000 1.734 317 C CB -1.264 26.501 27.740 0.042 0.000 2.027 317 C HN 0.114 nan 8.230 nan 0.000 0.496 318 V N 0.947 120.871 119.914 0.017 0.000 2.515 318 V HA -0.140 3.984 4.120 0.008 0.000 0.250 318 V C 2.409 178.532 176.094 0.048 0.000 1.058 318 V CA 1.624 63.937 62.300 0.021 0.000 1.064 318 V CB -0.683 31.133 31.823 -0.012 0.000 0.675 318 V HN 0.506 nan 8.190 nan 0.000 0.461 319 E N 0.405 120.623 120.200 0.029 0.000 2.007 319 E HA -0.283 4.071 4.350 0.008 0.000 0.203 319 E C 2.006 178.648 176.600 0.069 0.000 1.020 319 E CA 1.797 58.228 56.400 0.052 0.000 0.845 319 E CB -0.769 28.947 29.700 0.027 0.000 0.779 319 E HN 0.512 nan 8.360 nan 0.000 0.466 320 D N -0.274 120.140 120.400 0.024 0.000 2.242 320 D HA -0.181 4.464 4.640 0.008 0.000 0.190 320 D C 1.723 177.994 176.300 -0.049 0.000 1.012 320 D CA 1.940 55.930 54.000 -0.017 0.000 0.875 320 D CB -0.577 40.210 40.800 -0.022 0.000 0.922 320 D HN 0.365 nan 8.370 nan 0.000 0.448 321 G N -1.542 107.251 108.800 -0.011 0.000 3.088 321 G HA2 -0.104 3.860 3.960 0.008 0.000 0.217 321 G HA3 -0.104 3.860 3.960 0.008 0.000 0.217 321 G C 0.912 175.824 174.900 0.019 0.000 1.159 321 G CA -0.331 44.746 45.100 -0.037 0.000 0.760 321 G HN 0.233 nan 8.290 nan 0.000 0.550 322 F N 1.514 121.422 119.950 -0.071 0.000 2.664 322 F HA 0.067 4.599 4.527 0.008 0.000 0.297 322 F C 1.626 177.388 175.800 -0.063 0.000 1.164 322 F CA 0.262 58.229 58.000 -0.056 0.000 1.472 322 F CB 0.335 39.309 39.000 -0.044 0.000 1.108 322 F HN 0.014 nan 8.300 nan 0.000 0.596 323 V N 0.337 120.096 119.914 -0.259 0.000 3.307 323 V HA 0.085 4.209 4.120 0.008 0.000 0.253 323 V C 0.961 176.898 176.094 -0.261 0.000 1.149 323 V CA 0.396 62.498 62.300 -0.329 0.000 1.112 323 V CB -0.043 31.640 31.823 -0.234 0.000 0.777 323 V HN 0.003 nan 8.190 nan 0.000 0.464 324 I N 0.620 121.069 120.570 -0.202 0.000 2.354 324 I HA 0.369 4.544 4.170 0.008 0.000 0.292 324 I C 0.408 176.467 176.117 -0.096 0.000 0.989 324 I CA -0.043 61.173 61.300 -0.141 0.000 1.188 324 I CB 1.760 39.681 38.000 -0.131 0.000 1.342 324 I HN 0.055 nan 8.210 nan 0.000 0.457 325 Q N 4.322 124.074 119.800 -0.080 0.000 2.118 325 Q HA 0.145 4.490 4.340 0.008 0.000 0.219 325 Q C -1.183 174.803 176.000 -0.022 0.000 0.794 325 Q CA -0.114 55.661 55.803 -0.047 0.000 1.035 325 Q CB 0.589 29.288 28.738 -0.065 0.000 1.177 325 Q HN 0.740 nan 8.270 nan 0.000 0.478 326 D N -2.272 118.118 120.400 -0.017 0.000 2.753 326 D HA 0.132 4.777 4.640 0.008 0.000 0.224 326 D C 0.081 176.384 176.300 0.005 0.000 1.213 326 D CA -0.645 53.352 54.000 -0.005 0.000 0.833 326 D CB 0.885 41.680 40.800 -0.008 0.000 1.607 326 D HN 0.009 nan 8.370 nan 0.000 0.463 327 R N 0.963 121.467 120.500 0.008 0.000 2.133 327 R HA -0.216 4.129 4.340 0.008 0.000 0.247 327 R C 1.366 177.674 176.300 0.013 0.000 1.151 327 R CA 1.976 58.082 56.100 0.011 0.000 0.971 327 R CB 0.103 30.408 30.300 0.008 0.000 0.866 327 R HN 0.570 nan 8.270 nan 0.000 0.447 328 E N -0.938 119.268 120.200 0.011 0.000 2.017 328 E HA -0.148 4.207 4.350 0.008 0.000 0.193 328 E C 1.958 178.573 176.600 0.025 0.000 0.997 328 E CA 1.963 58.372 56.400 0.015 0.000 0.804 328 E CB -0.127 29.579 29.700 0.011 0.000 0.757 328 E HN 0.413 nan 8.360 nan 0.000 0.448 329 T N 1.392 115.959 114.554 0.022 0.000 2.720 329 T HA -0.201 4.154 4.350 0.008 0.000 0.268 329 T C 2.019 176.761 174.700 0.070 0.000 1.037 329 T CA 1.321 63.443 62.100 0.036 0.000 1.144 329 T CB -0.354 68.520 68.868 0.009 0.000 0.864 329 T HN 0.254 nan 8.240 nan 0.000 0.444 330 A N 1.670 124.521 122.820 0.052 0.000 1.851 330 A HA -0.070 4.255 4.320 0.008 0.000 0.216 330 A C 2.188 179.820 177.584 0.081 0.000 1.195 330 A CA 1.400 53.482 52.037 0.076 0.000 0.622 330 A CB -1.035 17.990 19.000 0.043 0.000 0.831 330 A HN 0.352 nan 8.150 nan 0.000 0.444 331 L N 0.013 121.260 121.223 0.040 0.000 2.263 331 L HA -0.180 4.165 4.340 0.008 0.000 0.216 331 L C 1.903 178.796 176.870 0.039 0.000 1.111 331 L CA 2.327 57.180 54.840 0.022 0.000 0.773 331 L CB -0.928 41.139 42.059 0.013 0.000 0.906 331 L HN 0.611 nan 8.230 nan 0.000 0.439 332 D N -1.792 118.647 120.400 0.066 0.000 2.201 332 D HA -0.203 4.441 4.640 0.008 0.000 0.209 332 D C 1.977 178.338 176.300 0.101 0.000 0.961 332 D CA 0.271 54.314 54.000 0.072 0.000 0.861 332 D CB -0.093 40.748 40.800 0.068 0.000 0.997 332 D HN 0.177 nan 8.370 nan 0.000 0.486 333 F N 1.149 121.096 119.950 -0.006 0.000 2.481 333 F HA 0.024 4.556 4.527 0.008 0.000 0.297 333 F C 0.422 176.223 175.800 0.001 0.000 1.095 333 F CA 0.745 58.742 58.000 -0.006 0.000 1.465 333 F CB -0.223 38.769 39.000 -0.013 0.000 1.098 333 F HN -0.003 nan 8.300 nan 0.000 0.585 334 I N 1.028 121.531 120.570 -0.112 0.000 2.234 334 I HA 0.359 4.534 4.170 0.008 0.000 0.287 334 I C 0.687 176.758 176.117 -0.077 0.000 1.131 334 I CA -0.045 61.158 61.300 -0.162 0.000 1.335 334 I CB -0.710 37.241 38.000 -0.081 0.000 1.511 334 I HN 0.125 nan 8.210 nan 0.000 0.588 346 E N 0.976 121.183 120.200 0.011 0.000 4.000 346 E HA -0.441 3.913 4.350 0.008 0.000 0.226 346 E C 1.210 177.819 176.600 0.015 0.000 1.270 346 E CA 2.564 58.971 56.400 0.012 0.000 2.118 346 E CB -1.004 28.700 29.700 0.006 0.000 1.850 346 E HN 0.454 nan 8.360 nan 0.000 0.280 347 K N 0.775 121.177 120.400 0.003 0.000 2.030 347 K HA -0.322 4.003 4.320 0.008 0.000 0.222 347 K C 2.221 178.833 176.600 0.019 0.000 1.056 347 K CA 2.614 58.899 56.287 -0.004 0.000 0.957 347 K CB -0.520 31.959 32.500 -0.034 0.000 0.727 347 K HN 0.362 nan 8.250 nan 0.000 0.452 348 R N 1.097 121.608 120.500 0.018 0.000 2.097 348 R HA -0.155 4.190 4.340 0.008 0.000 0.236 348 R C 2.429 178.795 176.300 0.111 0.000 1.135 348 R CA 2.028 58.171 56.100 0.071 0.000 0.934 348 R CB -1.177 29.150 30.300 0.044 0.000 0.846 348 R HN 0.177 nan 8.270 nan 0.000 0.431 349 I N 1.248 121.856 120.570 0.063 0.000 2.143 349 I HA -0.352 3.823 4.170 0.008 0.000 0.245 349 I C 2.906 179.057 176.117 0.057 0.000 1.068 349 I CA 1.865 63.195 61.300 0.051 0.000 1.326 349 I CB -0.368 37.651 38.000 0.033 0.000 1.028 349 I HN 0.291 nan 8.210 nan 0.000 0.412 350 Q N 0.203 120.042 119.800 0.065 0.000 2.050 350 Q HA -0.268 4.077 4.340 0.008 0.000 0.202 350 Q C 2.080 178.140 176.000 0.101 0.000 0.980 350 Q CA 1.823 57.665 55.803 0.064 0.000 0.840 350 Q CB -0.633 28.139 28.738 0.057 0.000 0.898 350 Q HN 0.514 nan 8.270 nan 0.000 0.424 351 Y N 0.287 120.572 120.300 -0.025 0.000 2.102 351 Y HA -0.307 4.248 4.550 0.008 0.000 0.280 351 Y C 1.968 177.846 175.900 -0.037 0.000 1.178 351 Y CA 1.730 59.808 58.100 -0.036 0.000 1.146 351 Y CB -0.984 37.458 38.460 -0.031 0.000 0.968 351 Y HN 0.195 nan 8.280 nan 0.000 0.504 352 A N 0.280 123.118 122.820 0.030 0.000 1.834 352 A HA -0.239 4.085 4.320 0.008 0.000 0.216 352 A C 2.309 179.848 177.584 -0.075 0.000 1.203 352 A CA 2.203 54.199 52.037 -0.068 0.000 0.621 352 A CB -0.806 18.183 19.000 -0.019 0.000 0.841 352 A HN 0.480 nan 8.150 nan 0.000 0.446 353 K N -0.489 119.895 120.400 -0.026 0.000 2.077 353 K HA -0.233 4.091 4.320 0.008 0.000 0.213 353 K C 1.749 178.336 176.600 -0.022 0.000 1.051 353 K CA 1.802 58.078 56.287 -0.018 0.000 0.929 353 K CB -0.407 32.096 32.500 0.005 0.000 0.715 353 K HN 0.524 nan 8.250 nan 0.000 0.451 354 D N 0.717 121.099 120.400 -0.029 0.000 2.117 354 D HA -0.122 4.523 4.640 0.008 0.000 0.197 354 D C 2.008 178.267 176.300 -0.068 0.000 0.987 354 D CA 1.019 54.997 54.000 -0.037 0.000 0.829 354 D CB -0.083 40.696 40.800 -0.034 0.000 0.961 354 D HN 0.194 nan 8.370 nan 0.000 0.460 355 I N 1.092 121.577 120.570 -0.143 0.000 2.163 355 I HA -0.263 3.912 4.170 0.008 0.000 0.243 355 I C 2.169 178.284 176.117 -0.004 0.000 1.085 355 I CA 0.897 62.112 61.300 -0.142 0.000 1.347 355 I CB -0.190 37.664 38.000 -0.244 0.000 1.044 355 I HN -0.006 nan 8.210 nan 0.000 0.408 356 L N -0.166 121.039 121.223 -0.030 0.000 2.622 356 L HA -0.098 4.247 4.340 0.008 0.000 0.233 356 L C 2.152 179.112 176.870 0.151 0.000 1.156 356 L CA 0.521 55.386 54.840 0.041 0.000 0.866 356 L CB -0.479 41.520 42.059 -0.100 0.000 0.980 356 L HN 0.391 nan 8.230 nan 0.000 0.448 357 Q N -0.074 119.777 119.800 0.084 0.000 2.389 357 Q HA 0.044 4.388 4.340 0.008 0.000 0.201 357 Q C 1.438 177.473 176.000 0.059 0.000 0.956 357 Q CA 0.534 56.380 55.803 0.070 0.000 0.871 357 Q CB 0.476 29.237 28.738 0.039 0.000 0.990 357 Q HN 0.352 nan 8.270 nan 0.000 0.554 358 K N -0.284 120.145 120.400 0.049 0.000 2.374 358 K HA 0.105 4.430 4.320 0.008 0.000 0.202 358 K C 0.693 177.359 176.600 0.110 0.000 1.040 358 K CA 0.204 56.528 56.287 0.061 0.000 1.085 358 K CB 0.924 33.456 32.500 0.053 0.000 0.873 358 K HN 0.017 nan 8.250 nan 0.000 0.539 359 E N -0.149 120.113 120.200 0.104 0.000 2.485 359 E HA 0.073 4.428 4.350 0.008 0.000 0.213 359 E C -0.470 176.250 176.600 0.199 0.000 0.923 359 E CA -0.054 56.433 56.400 0.145 0.000 1.054 359 E CB 0.443 30.177 29.700 0.058 0.000 1.077 359 E HN 0.090 nan 8.360 nan 0.000 0.509 360 F N 1.818 121.787 119.950 0.032 0.000 2.388 360 F HA 0.357 4.889 4.527 0.008 0.000 0.358 360 F C 0.292 176.106 175.800 0.022 0.000 1.122 360 F CA -1.038 56.982 58.000 0.033 0.000 1.056 360 F CB 0.599 39.603 39.000 0.006 0.000 1.155 360 F HN -0.164 nan 8.300 nan 0.000 0.461 361 L N 7.633 128.514 121.223 -0.571 0.000 3.608 361 L HA -0.209 4.135 4.340 0.008 0.000 0.422 361 L C -1.601 175.090 176.870 -0.297 0.000 1.260 361 L CA 0.295 54.785 54.840 -0.583 0.000 0.889 361 L CB -1.360 40.062 42.059 -1.062 0.000 1.821 361 L HN 0.577 nan 8.230 nan 0.000 0.884 362 P HA -0.215 nan 4.420 nan 0.000 0.216 362 P C 0.856 178.124 177.300 -0.053 0.000 1.157 362 P CA 1.938 65.026 63.100 -0.020 0.000 0.880 362 P CB -0.427 31.327 31.700 0.091 0.000 0.791 363 H N -0.391 118.600 119.070 -0.131 0.000 2.801 363 H HA 0.116 4.677 4.556 0.008 0.000 0.377 363 H C 1.497 176.706 175.328 -0.198 0.000 1.304 363 H CA 0.365 56.334 56.048 -0.132 0.000 1.451 363 H CB 0.442 30.144 29.762 -0.100 0.000 1.474 363 H HN 0.102 nan 8.280 nan 0.000 0.620 364 I N -1.712 118.633 120.570 -0.375 0.000 4.811 364 I HA -0.308 3.867 4.170 0.008 0.000 0.040 364 I C -0.172 175.747 176.117 -0.330 0.000 0.634 364 I CA 1.376 62.407 61.300 -0.449 0.000 0.558 364 I CB -1.304 36.358 38.000 -0.563 0.000 0.550 364 I HN 0.829 nan 8.210 nan 0.000 0.153 365 T N 0.081 114.450 114.554 -0.308 0.000 2.927 365 T HA 0.277 4.632 4.350 0.008 0.000 0.350 365 T C -0.742 173.833 174.700 -0.209 0.000 1.746 365 T CA -0.523 61.382 62.100 -0.325 0.000 1.081 365 T CB 2.100 70.601 68.868 -0.613 0.000 1.551 365 T HN 0.368 nan 8.240 nan 0.000 0.489 366 Q N 0.849 120.545 119.800 -0.173 0.000 2.214 366 Q HA 0.325 4.670 4.340 0.008 0.000 0.229 366 Q C 1.198 177.159 176.000 -0.065 0.000 0.835 366 Q CA -0.131 55.620 55.803 -0.087 0.000 0.953 366 Q CB 0.617 29.314 28.738 -0.069 0.000 1.131 366 Q HN 0.547 nan 8.270 nan 0.000 0.501 367 L N 0.635 121.790 121.223 -0.114 0.000 2.164 367 L HA -0.164 4.181 4.340 0.008 0.000 0.173 367 L C 1.602 178.494 176.870 0.036 0.000 0.835 367 L CA 1.260 56.071 54.840 -0.050 0.000 1.866 367 L CB -0.123 41.880 42.059 -0.093 0.000 1.765 367 L HN 0.147 nan 8.230 nan 0.000 0.580 368 E N -0.753 119.518 120.200 0.118 0.000 2.941 368 E HA 0.096 4.451 4.350 0.008 0.000 0.180 368 E C 1.100 177.819 176.600 0.197 0.000 1.130 368 E CA 0.376 56.853 56.400 0.129 0.000 1.243 368 E CB -0.001 29.755 29.700 0.093 0.000 1.582 368 E HN 0.607 nan 8.360 nan 0.000 0.499 369 G N 0.987 109.933 108.800 0.243 0.000 3.197 369 G HA2 0.174 4.139 3.960 0.008 0.000 0.257 369 G HA3 0.174 4.139 3.960 0.008 0.000 0.257 369 G C -0.639 174.273 174.900 0.021 0.000 0.835 369 G CA 0.145 45.321 45.100 0.126 0.000 2.001 369 G HN 0.033 nan 8.290 nan 0.000 0.625 370 F N -0.438 119.513 119.950 0.001 0.000 2.541 370 F HA 0.298 4.830 4.527 0.008 0.000 0.368 370 F C 0.904 176.709 175.800 0.009 0.000 1.530 370 F CA -0.815 57.183 58.000 -0.004 0.000 1.102 370 F CB 1.091 40.075 39.000 -0.027 0.000 1.382 370 F HN 0.169 nan 8.300 nan 0.000 0.541 371 E N -0.346 119.916 120.200 0.104 0.000 2.285 371 E HA -0.093 4.261 4.350 0.008 0.000 0.194 371 E C 2.267 178.901 176.600 0.056 0.000 0.997 371 E CA 1.172 57.619 56.400 0.079 0.000 0.845 371 E CB 0.108 29.831 29.700 0.038 0.000 0.782 371 E HN 0.372 nan 8.360 nan 0.000 0.491 372 S N 0.388 116.116 115.700 0.047 0.000 2.388 372 S HA -0.042 4.433 4.470 0.008 0.000 0.223 372 S C 1.930 176.635 174.600 0.175 0.000 1.034 372 S CA 0.188 58.420 58.200 0.054 0.000 0.963 372 S CB -0.064 63.183 63.200 0.078 0.000 0.827 372 S HN 0.071 nan 8.310 nan 0.000 0.481 373 R N 1.649 122.252 120.500 0.172 0.000 2.096 373 R HA -0.056 4.289 4.340 0.008 0.000 0.240 373 R C 2.494 178.923 176.300 0.216 0.000 1.139 373 R CA 1.771 57.974 56.100 0.172 0.000 0.952 373 R CB -0.396 29.989 30.300 0.141 0.000 0.854 373 R HN 0.522 nan 8.270 nan 0.000 0.436 374 K N 0.170 120.674 120.400 0.173 0.000 2.062 374 K HA -0.009 4.315 4.320 0.008 0.000 0.205 374 K C 2.239 179.005 176.600 0.277 0.000 1.051 374 K CA 1.078 57.477 56.287 0.187 0.000 0.941 374 K CB -0.131 32.481 32.500 0.187 0.000 0.719 374 K HN 0.125 nan 8.250 nan 0.000 0.440 375 A N 1.189 124.104 122.820 0.157 0.000 1.908 375 A HA -0.165 4.159 4.320 0.008 0.000 0.218 375 A C 2.000 179.721 177.584 0.229 0.000 1.181 375 A CA 1.270 53.309 52.037 0.002 0.000 0.627 375 A CB -0.857 18.052 19.000 -0.150 0.000 0.818 375 A HN 0.231 nan 8.150 nan 0.000 0.445 376 F N -1.853 118.301 119.950 0.340 0.000 2.095 376 F HA -0.190 4.342 4.527 0.008 0.000 0.298 376 F C 2.123 178.391 175.800 0.781 0.000 1.104 376 F CA 1.601 59.941 58.000 0.567 0.000 1.232 376 F CB -0.285 38.829 39.000 0.191 0.000 0.987 376 F HN 0.335 nan 8.300 nan 0.000 0.475 377 F N 0.199 120.595 119.950 0.744 0.000 2.075 377 F HA -0.253 4.278 4.527 0.008 0.000 0.297 377 F C 2.217 178.344 175.800 0.545 0.000 1.113 377 F CA 1.307 59.728 58.000 0.702 0.000 1.218 377 F CB -0.643 38.611 39.000 0.423 0.000 0.984 377 F HN -0.118 nan 8.300 nan 0.000 0.472 378 L N 0.539 122.128 121.223 0.610 0.000 2.263 378 L HA -0.092 4.253 4.340 0.008 0.000 0.216 378 L C 2.131 179.231 176.870 0.384 0.000 1.111 378 L CA 2.041 57.117 54.840 0.393 0.000 0.773 378 L CB -1.436 40.726 42.059 0.172 0.000 0.906 378 L HN 0.201 nan 8.230 nan 0.000 0.439 379 G N -1.656 107.488 108.800 0.573 0.000 2.424 379 G HA2 -0.334 3.631 3.960 0.008 0.000 0.214 379 G HA3 -0.334 3.631 3.960 0.008 0.000 0.214 379 G C 1.489 176.667 174.900 0.463 0.000 1.202 379 G CA 0.665 46.157 45.100 0.653 0.000 0.793 379 G HN 0.497 nan 8.290 nan 0.000 0.534 380 Y N 0.788 121.333 120.300 0.409 0.000 2.193 380 Y HA -0.136 4.419 4.550 0.008 0.000 0.285 380 Y C 2.733 178.621 175.900 -0.019 0.000 1.166 380 Y CA 2.101 60.283 58.100 0.137 0.000 1.181 380 Y CB -0.166 38.216 38.460 -0.131 0.000 0.976 380 Y HN 0.197 nan 8.280 nan 0.000 0.520 381 M N -0.858 118.729 119.600 -0.021 0.000 2.296 381 M HA -0.145 4.340 4.480 0.008 0.000 0.265 381 M C 1.570 177.831 176.300 -0.065 0.000 1.064 381 M CA 1.524 56.769 55.300 -0.092 0.000 1.109 381 M CB -0.125 32.538 32.600 0.106 0.000 1.396 381 M HN 0.348 nan 8.290 nan 0.000 0.430 382 I N -1.013 119.571 120.570 0.023 0.000 3.030 382 I HA -0.149 4.025 4.170 0.008 0.000 0.270 382 I C 1.822 177.901 176.117 -0.064 0.000 1.211 382 I CA 0.472 61.787 61.300 0.025 0.000 1.479 382 I CB -0.471 37.603 38.000 0.124 0.000 1.105 382 I HN 0.331 nan 8.210 nan 0.000 0.447 383 N N 1.206 119.832 118.700 -0.123 0.000 2.109 383 N HA -0.142 4.603 4.740 0.008 0.000 0.188 383 N C 2.039 177.410 175.510 -0.232 0.000 1.034 383 N CA 1.190 54.124 53.050 -0.192 0.000 0.846 383 N CB 0.162 38.509 38.487 -0.232 0.000 1.010 383 N HN -0.024 nan 8.380 nan 0.000 0.425 384 R N 0.468 120.754 120.500 -0.356 0.000 2.120 384 R HA -0.065 4.279 4.340 0.008 0.000 0.234 384 R C 2.085 178.256 176.300 -0.215 0.000 1.123 384 R CA 0.498 56.396 56.100 -0.336 0.000 0.975 384 R CB -1.498 28.510 30.300 -0.487 0.000 0.866 384 R HN 0.357 nan 8.270 nan 0.000 0.446 385 L N 0.908 122.025 121.223 -0.176 0.000 1.989 385 L HA -0.116 4.229 4.340 0.008 0.000 0.211 385 L C 2.151 178.930 176.870 -0.152 0.000 1.071 385 L CA 1.662 56.431 54.840 -0.118 0.000 0.749 385 L CB -0.447 41.578 42.059 -0.056 0.000 0.890 385 L HN 0.063 nan 8.230 nan 0.000 0.431 386 L N -1.558 119.577 121.223 -0.146 0.000 2.093 386 L HA -0.201 4.144 4.340 0.008 0.000 0.208 386 L C 2.525 179.289 176.870 -0.176 0.000 1.085 386 L CA 0.535 55.276 54.840 -0.166 0.000 0.755 386 L CB -0.685 41.297 42.059 -0.128 0.000 0.904 386 L HN 0.291 nan 8.230 nan 0.000 0.435 387 L N -0.137 120.994 121.223 -0.153 0.000 2.051 387 L HA -0.308 4.037 4.340 0.008 0.000 0.214 387 L C 2.743 179.539 176.870 -0.123 0.000 1.076 387 L CA 1.732 56.495 54.840 -0.128 0.000 0.758 387 L CB -1.055 40.935 42.059 -0.115 0.000 0.890 387 L HN 0.412 nan 8.230 nan 0.000 0.433 388 C N -1.203 118.018 119.300 -0.132 0.000 2.446 388 C HA 0.048 4.513 4.460 0.008 0.000 0.279 388 C C 2.760 177.636 174.990 -0.189 0.000 1.366 388 C CA 0.550 59.513 59.018 -0.092 0.000 1.763 388 C CB -1.110 26.614 27.740 -0.028 0.000 1.929 388 C HN 0.529 nan 8.230 nan 0.000 0.509 389 A N -0.618 121.939 122.820 -0.438 0.000 2.178 389 A HA 0.304 4.629 4.320 0.008 0.000 0.211 389 A C 1.706 179.139 177.584 -0.251 0.000 1.157 389 A CA 0.624 52.236 52.037 -0.709 0.000 0.780 389 A CB -0.303 18.232 19.000 -0.776 0.000 0.828 389 A HN 0.619 nan 8.150 nan 0.000 0.476 390 L N -0.793 120.326 121.223 -0.174 0.000 2.667 390 L HA 0.149 4.494 4.340 0.008 0.000 0.232 390 L C -0.391 176.436 176.870 -0.072 0.000 1.138 390 L CA -0.104 54.666 54.840 -0.116 0.000 0.921 390 L CB 0.006 41.983 42.059 -0.137 0.000 1.180 390 L HN 0.200 nan 8.230 nan 0.000 0.487 391 D N 0.143 120.516 120.400 -0.046 0.000 2.837 391 D HA -0.221 4.424 4.640 0.008 0.000 0.230 391 D C 1.250 177.534 176.300 -0.027 0.000 1.152 391 D CA 0.726 54.719 54.000 -0.013 0.000 0.736 391 D CB -0.652 40.148 40.800 0.000 0.000 1.084 391 D HN 0.316 nan 8.370 nan 0.000 0.429 392 R N -0.423 120.050 120.500 -0.045 0.000 2.237 392 R HA 0.189 4.533 4.340 0.008 0.000 0.195 392 R C 0.421 176.703 176.300 -0.030 0.000 0.956 392 R CA 0.452 56.526 56.100 -0.044 0.000 1.029 392 R CB 0.622 30.884 30.300 -0.064 0.000 0.972 392 R HN 0.059 nan 8.270 nan 0.000 0.493 393 K N 0.651 121.034 120.400 -0.028 0.000 2.525 393 K HA 0.181 4.505 4.320 0.008 0.000 0.254 393 K C -1.347 175.256 176.600 0.004 0.000 0.934 393 K CA -0.683 55.595 56.287 -0.016 0.000 0.802 393 K CB 2.433 34.913 32.500 -0.033 0.000 1.295 393 K HN -0.101 nan 8.250 nan 0.000 0.433 394 D N 1.687 122.098 120.400 0.019 0.000 2.335 394 D HA -0.075 4.570 4.640 0.008 0.000 0.236 394 D C 0.204 176.537 176.300 0.054 0.000 1.297 394 D CA 0.458 54.483 54.000 0.041 0.000 0.906 394 D CB 0.728 41.555 40.800 0.045 0.000 1.164 394 D HN 0.384 nan 8.370 nan 0.000 0.469 395 Q N 0.109 119.961 119.800 0.087 0.000 2.382 395 Q HA 0.028 4.373 4.340 0.008 0.000 0.229 395 Q C -0.611 175.467 176.000 0.130 0.000 1.006 395 Q CA -0.320 55.562 55.803 0.130 0.000 0.916 395 Q CB 0.762 29.601 28.738 0.168 0.000 1.235 395 Q HN 0.289 nan 8.270 nan 0.000 0.512 396 D N 1.923 122.415 120.400 0.154 0.000 2.312 396 D HA -0.011 4.634 4.640 0.008 0.000 0.252 396 D C -0.885 175.592 176.300 0.294 0.000 1.150 396 D CA 0.039 54.117 54.000 0.131 0.000 0.870 396 D CB 0.806 41.546 40.800 -0.101 0.000 1.153 396 D HN 0.450 nan 8.370 nan 0.000 0.457 397 D N 2.804 123.318 120.400 0.189 0.000 2.367 397 D HA -0.013 4.632 4.640 0.008 0.000 0.255 397 D C 1.219 177.610 176.300 0.152 0.000 1.300 397 D CA -0.014 54.082 54.000 0.161 0.000 0.959 397 D CB 0.296 41.189 40.800 0.156 0.000 1.064 397 D HN 0.294 nan 8.370 nan 0.000 0.509 398 R N 2.016 122.604 120.500 0.146 0.000 2.200 398 R HA -0.108 4.237 4.340 0.008 0.000 0.234 398 R C 0.477 176.792 176.300 0.024 0.000 1.127 398 R CA 0.904 57.072 56.100 0.112 0.000 0.989 398 R CB 0.237 30.544 30.300 0.013 0.000 0.869 398 R HN 0.407 nan 8.270 nan 0.000 0.459 399 D N -0.386 119.966 120.400 -0.079 0.000 2.328 399 D HA -0.039 4.606 4.640 0.008 0.000 0.221 399 D C 0.108 176.176 176.300 -0.387 0.000 1.072 399 D CA 0.232 54.089 54.000 -0.239 0.000 0.850 399 D CB -0.070 40.505 40.800 -0.374 0.000 0.922 399 D HN 0.174 nan 8.370 nan 0.000 0.516 400 H N 0.600 119.535 119.070 -0.225 0.000 2.929 400 H HA -0.080 4.481 4.556 0.008 0.000 0.317 400 H C 0.624 175.986 175.328 0.056 0.000 1.031 400 H CA 0.007 56.010 56.048 -0.074 0.000 1.466 400 H CB 0.479 30.260 29.762 0.031 0.000 1.482 400 H HN -0.045 nan 8.280 nan 0.000 0.561 401 F N 3.947 123.943 119.950 0.077 0.000 2.234 401 F HA -0.015 4.516 4.527 0.008 0.000 0.299 401 F C 2.313 178.216 175.800 0.172 0.000 1.087 401 F CA 1.450 59.532 58.000 0.137 0.000 1.340 401 F CB -0.385 38.730 39.000 0.192 0.000 1.031 401 F HN 0.711 nan 8.300 nan 0.000 0.500 402 G N -0.462 108.584 108.800 0.409 0.000 2.535 402 G HA2 -0.223 3.741 3.960 0.008 0.000 0.218 402 G HA3 -0.223 3.741 3.960 0.008 0.000 0.218 402 G C 1.387 176.227 174.900 -0.100 0.000 1.122 402 G CA 0.288 45.456 45.100 0.112 0.000 0.769 402 G HN 0.312 nan 8.290 nan 0.000 0.549 403 K N 0.250 120.622 120.400 -0.047 0.000 2.576 403 K HA 0.213 4.538 4.320 0.008 0.000 0.209 403 K C -0.174 176.361 176.600 -0.108 0.000 1.049 403 K CA 0.049 56.269 56.287 -0.111 0.000 1.140 403 K CB 0.394 32.857 32.500 -0.060 0.000 0.871 403 K HN 0.238 nan 8.250 nan 0.000 0.479 404 K N 0.619 120.910 120.400 -0.182 0.000 2.508 404 K HA 0.467 4.792 4.320 0.008 0.000 0.260 404 K C -0.627 175.791 176.600 -0.304 0.000 0.949 404 K CA -1.225 54.941 56.287 -0.203 0.000 0.834 404 K CB 1.905 34.305 32.500 -0.167 0.000 1.365 404 K HN -0.192 nan 8.250 nan 0.000 0.437 405 R N 0.956 121.322 120.500 -0.223 0.000 2.892 405 R HA 0.556 4.901 4.340 0.008 0.000 0.265 405 R C -0.699 175.497 176.300 -0.174 0.000 1.025 405 R CA -0.933 55.042 56.100 -0.207 0.000 0.982 405 R CB 0.842 31.059 30.300 -0.138 0.000 1.185 405 R HN 0.562 nan 8.270 nan 0.000 0.484 406 L N 2.106 123.240 121.223 -0.148 0.000 2.316 406 L HA 0.316 4.661 4.340 0.008 0.000 0.280 406 L C -0.644 176.179 176.870 -0.078 0.000 1.006 406 L CA -0.685 54.094 54.840 -0.101 0.000 0.836 406 L CB 1.802 43.810 42.059 -0.086 0.000 1.221 406 L HN 0.336 nan 8.230 nan 0.000 0.418 407 D N 4.132 124.487 120.400 -0.076 0.000 2.352 407 D HA 0.255 4.900 4.640 0.008 0.000 0.245 407 D C 0.066 176.318 176.300 -0.080 0.000 1.224 407 D CA -0.180 53.777 54.000 -0.071 0.000 0.879 407 D CB 2.030 42.781 40.800 -0.081 0.000 1.057 407 D HN 0.119 nan 8.370 nan 0.000 0.491 408 L N 1.554 122.745 121.223 -0.052 0.000 0.000 408 L HA 0.358 4.703 4.340 0.008 0.000 0.000 408 L C 1.822 178.677 176.870 -0.025 0.000 0.000 408 L CA -0.208 54.606 54.840 -0.044 0.000 0.000 408 L CB 0.408 42.453 42.059 -0.023 0.000 0.000 408 L HN 0.411 nan 8.230 nan 0.000 0.000 409 A N 0.870 123.696 122.820 0.009 0.000 1.882 409 A HA -0.258 4.067 4.320 0.008 0.000 0.220 409 A C 1.974 179.590 177.584 0.054 0.000 1.253 409 A CA 2.637 54.722 52.037 0.081 0.000 0.664 409 A CB -1.811 17.284 19.000 0.157 0.000 0.838 409 A HN 0.929 nan 8.150 nan 0.000 0.460 410 G N -0.078 108.776 108.800 0.091 0.000 2.863 410 G HA2 -0.261 3.703 3.960 0.008 0.000 0.217 410 G HA3 -0.261 3.703 3.960 0.008 0.000 0.217 410 G C -0.206 174.647 174.900 -0.078 0.000 1.315 410 G CA 1.561 46.674 45.100 0.022 0.000 0.796 410 G HN 0.478 nan 8.290 nan 0.000 0.669 411 P HA -0.116 nan 4.420 nan 0.000 0.218 411 P C 1.969 179.309 177.300 0.067 0.000 1.147 411 P CA 1.003 64.142 63.100 0.065 0.000 0.827 411 P CB -0.133 31.594 31.700 0.045 0.000 0.778 412 L N -2.089 119.159 121.223 0.042 0.000 2.068 412 L HA -0.107 4.237 4.340 0.008 0.000 0.204 412 L C 2.448 179.523 176.870 0.342 0.000 1.076 412 L CA 1.082 56.034 54.840 0.187 0.000 0.753 412 L CB -0.901 41.151 42.059 -0.012 0.000 0.910 412 L HN -0.055 nan 8.230 nan 0.000 0.439 413 L N -0.216 121.008 121.223 0.002 0.000 2.079 413 L HA -0.235 4.110 4.340 0.008 0.000 0.210 413 L C 2.880 179.683 176.870 -0.112 0.000 1.081 413 L CA 1.196 55.884 54.840 -0.253 0.000 0.752 413 L CB -0.734 40.748 42.059 -0.963 0.000 0.896 413 L HN 0.280 nan 8.230 nan 0.000 0.433 414 A N -0.682 122.106 122.820 -0.054 0.000 1.902 414 A HA -0.266 4.059 4.320 0.008 0.000 0.217 414 A C 2.209 179.967 177.584 0.291 0.000 1.181 414 A CA 1.551 53.818 52.037 0.383 0.000 0.623 414 A CB -0.521 18.696 19.000 0.362 0.000 0.818 414 A HN 0.450 nan 8.150 nan 0.000 0.443 415 Q N -0.706 119.238 119.800 0.239 0.000 2.112 415 Q HA -0.193 4.152 4.340 0.008 0.000 0.206 415 Q C 2.102 178.214 176.000 0.186 0.000 0.987 415 Q CA 1.656 57.599 55.803 0.233 0.000 0.858 415 Q CB -0.290 28.635 28.738 0.312 0.000 0.905 415 Q HN 0.720 nan 8.270 nan 0.000 0.420 416 L N -1.073 120.233 121.223 0.137 0.000 2.013 416 L HA -0.129 4.216 4.340 0.008 0.000 0.204 416 L C 2.188 179.120 176.870 0.103 0.000 1.081 416 L CA 0.736 55.577 54.840 0.002 0.000 0.751 416 L CB -0.596 41.341 42.059 -0.203 0.000 0.901 416 L HN 0.169 nan 8.230 nan 0.000 0.440 417 F N 1.085 121.074 119.950 0.066 0.000 2.079 417 F HA -0.405 4.127 4.527 0.008 0.000 0.296 417 F C 2.514 178.387 175.800 0.122 0.000 1.084 417 F CA 1.949 60.014 58.000 0.109 0.000 1.236 417 F CB -0.093 39.048 39.000 0.234 0.000 0.984 417 F HN -0.040 nan 8.300 nan 0.000 0.488 418 K N -0.846 119.759 120.400 0.340 0.000 1.965 418 K HA -0.155 4.170 4.320 0.008 0.000 0.214 418 K C 1.912 178.586 176.600 0.123 0.000 1.046 418 K CA 2.041 58.484 56.287 0.260 0.000 0.944 418 K CB -1.006 31.624 32.500 0.217 0.000 0.726 418 K HN 0.126 nan 8.250 nan 0.000 0.441 419 T N 2.093 116.699 114.554 0.088 0.000 2.792 419 T HA -0.177 4.178 4.350 0.008 0.000 0.268 419 T C 1.723 176.410 174.700 -0.023 0.000 1.059 419 T CA 1.241 63.359 62.100 0.031 0.000 1.136 419 T CB -0.141 68.745 68.868 0.029 0.000 0.846 419 T HN 0.139 nan 8.240 nan 0.000 0.489 420 L N -1.126 120.064 121.223 -0.055 0.000 2.221 420 L HA 0.201 4.546 4.340 0.008 0.000 0.202 420 L C 2.106 178.894 176.870 -0.136 0.000 1.074 420 L CA 0.507 55.273 54.840 -0.123 0.000 0.795 420 L CB -0.357 41.587 42.059 -0.191 0.000 0.960 420 L HN 0.170 nan 8.230 nan 0.000 0.458 421 F N 1.343 121.069 119.950 -0.373 0.000 2.333 421 F HA -0.156 4.375 4.527 0.008 0.000 0.300 421 F C 2.259 177.926 175.800 -0.222 0.000 1.083 421 F CA 1.308 59.074 58.000 -0.390 0.000 1.395 421 F CB -0.198 38.553 39.000 -0.415 0.000 1.056 421 F HN -0.120 nan 8.300 nan 0.000 0.529 422 K N 0.410 120.689 120.400 -0.200 0.000 1.984 422 K HA -0.153 4.172 4.320 0.008 0.000 0.209 422 K C 2.110 178.585 176.600 -0.209 0.000 1.046 422 K CA 1.563 57.708 56.287 -0.237 0.000 0.934 422 K CB -0.150 32.291 32.500 -0.097 0.000 0.717 422 K HN 0.147 nan 8.250 nan 0.000 0.438 423 K N 0.690 121.010 120.400 -0.133 0.000 2.173 423 K HA -0.215 4.110 4.320 0.008 0.000 0.207 423 K C 2.075 178.611 176.600 -0.106 0.000 1.046 423 K CA 1.116 57.345 56.287 -0.096 0.000 0.929 423 K CB -0.207 32.248 32.500 -0.074 0.000 0.720 423 K HN 0.047 nan 8.250 nan 0.000 0.453 424 L N 1.117 122.243 121.223 -0.161 0.000 1.973 424 L HA -0.179 4.166 4.340 0.008 0.000 0.208 424 L C 2.110 178.901 176.870 -0.133 0.000 1.073 424 L CA 1.952 56.709 54.840 -0.138 0.000 0.746 424 L CB -0.939 41.029 42.059 -0.151 0.000 0.891 424 L HN 0.107 nan 8.230 nan 0.000 0.433 425 T N 0.741 115.116 114.554 -0.297 0.000 2.505 425 T HA -0.345 4.010 4.350 0.008 0.000 0.259 425 T C 1.687 176.372 174.700 -0.024 0.000 1.158 425 T CA 2.521 64.505 62.100 -0.193 0.000 1.190 425 T CB -0.550 68.097 68.868 -0.367 0.000 0.864 425 T HN 0.553 nan 8.240 nan 0.000 0.413 426 K N 1.030 121.396 120.400 -0.058 0.000 2.218 426 K HA -0.185 4.140 4.320 0.008 0.000 0.205 426 K C 1.690 178.355 176.600 0.108 0.000 1.046 426 K CA 1.948 58.254 56.287 0.030 0.000 0.933 426 K CB -0.200 32.290 32.500 -0.017 0.000 0.728 426 K HN 0.266 nan 8.250 nan 0.000 0.454 427 D N 1.009 121.443 120.400 0.057 0.000 2.194 427 D HA 0.015 4.660 4.640 0.008 0.000 0.204 427 D C 1.971 178.345 176.300 0.122 0.000 0.964 427 D CA 0.782 54.826 54.000 0.074 0.000 0.846 427 D CB 0.076 40.891 40.800 0.025 0.000 0.962 427 D HN 0.305 nan 8.370 nan 0.000 0.490 428 I N 0.193 120.840 120.570 0.129 0.000 2.353 428 I HA -0.219 3.955 4.170 0.008 0.000 0.248 428 I C 2.179 178.449 176.117 0.255 0.000 1.119 428 I CA 0.380 61.780 61.300 0.165 0.000 1.417 428 I CB -0.095 37.999 38.000 0.158 0.000 1.078 428 I HN -0.099 nan 8.210 nan 0.000 0.421 429 F N 2.213 122.212 119.950 0.081 0.000 2.046 429 F HA -0.230 4.302 4.527 0.008 0.000 0.297 429 F C 2.694 178.539 175.800 0.075 0.000 1.123 429 F CA 1.708 59.748 58.000 0.067 0.000 1.199 429 F CB -0.419 38.602 39.000 0.034 0.000 0.972 429 F HN -0.140 nan 8.300 nan 0.000 0.474 430 R N -1.297 119.316 120.500 0.189 0.000 2.133 430 R HA -0.294 4.051 4.340 0.008 0.000 0.247 430 R C 2.162 178.478 176.300 0.027 0.000 1.151 430 R CA 2.008 58.149 56.100 0.069 0.000 0.971 430 R CB -1.203 29.163 30.300 0.111 0.000 0.866 430 R HN 0.459 nan 8.270 nan 0.000 0.447 431 Y N 1.439 121.720 120.300 -0.031 0.000 2.081 431 Y HA -0.280 4.274 4.550 0.008 0.000 0.280 431 Y C 2.217 178.068 175.900 -0.083 0.000 1.163 431 Y CA 1.931 60.008 58.100 -0.038 0.000 1.135 431 Y CB -0.271 38.184 38.460 -0.008 0.000 0.970 431 Y HN -0.053 nan 8.280 nan 0.000 0.498 432 M N -0.309 119.216 119.600 -0.126 0.000 2.132 432 M HA -0.256 4.228 4.480 0.008 0.000 0.263 432 M C 2.208 178.317 176.300 -0.318 0.000 1.065 432 M CA 1.880 57.025 55.300 -0.258 0.000 1.122 432 M CB -0.579 31.914 32.600 -0.178 0.000 1.365 432 M HN 0.289 nan 8.290 nan 0.000 0.411 433 Q N 0.463 120.037 119.800 -0.377 0.000 2.197 433 Q HA -0.160 4.185 4.340 0.008 0.000 0.207 433 Q C 1.540 177.414 176.000 -0.210 0.000 0.984 433 Q CA 1.353 56.963 55.803 -0.322 0.000 0.869 433 Q CB -0.166 28.390 28.738 -0.305 0.000 0.906 433 Q HN 0.526 nan 8.270 nan 0.000 0.426 434 R N -0.330 120.047 120.500 -0.205 0.000 2.356 434 R HA 0.089 4.433 4.340 0.008 0.000 0.234 434 R C -0.010 176.155 176.300 -0.225 0.000 0.929 434 R CA 0.238 56.235 56.100 -0.172 0.000 1.084 434 R CB 0.672 30.895 30.300 -0.129 0.000 1.105 434 R HN -0.089 nan 8.270 nan 0.000 0.515 435 T N 0.727 115.115 114.554 -0.278 0.000 3.390 435 T HA 0.144 4.499 4.350 0.008 0.000 0.351 435 T C 1.329 175.914 174.700 -0.191 0.000 1.759 435 T CA -0.290 61.637 62.100 -0.289 0.000 1.561 435 T CB 1.051 69.642 68.868 -0.460 0.000 1.011 435 T HN -0.150 nan 8.240 nan 0.000 0.689 436 V N 1.204 121.033 119.914 -0.142 0.000 2.220 436 V HA -0.145 3.980 4.120 0.008 0.000 0.242 436 V C 1.419 177.461 176.094 -0.087 0.000 1.041 436 V CA 1.246 63.484 62.300 -0.103 0.000 0.990 436 V CB -0.639 31.137 31.823 -0.079 0.000 0.634 436 V HN 0.814 nan 8.190 nan 0.000 0.452 447 A N -0.213 122.452 122.820 -0.258 0.000 3.629 447 A HA -0.086 4.239 4.320 0.008 0.000 0.224 447 A C 0.161 177.527 177.584 -0.362 0.000 1.104 447 A CA 0.726 52.414 52.037 -0.581 0.000 1.660 447 A CB -1.998 16.105 19.000 -1.494 0.000 0.911 447 A HN 0.447 nan 8.150 nan 0.000 0.805 448 I N 1.490 121.960 120.570 -0.167 0.000 2.325 448 I HA 0.228 4.403 4.170 0.008 0.000 0.291 448 I C 0.434 176.538 176.117 -0.022 0.000 1.019 448 I CA -0.405 60.856 61.300 -0.064 0.000 1.302 448 I CB 1.131 39.135 38.000 0.007 0.000 1.401 448 I HN 0.353 nan 8.210 nan 0.000 0.485 449 N N 5.388 124.074 118.700 -0.022 0.000 2.868 449 N HA 0.260 5.005 4.740 0.008 0.000 0.252 449 N C 0.975 176.486 175.510 0.002 0.000 1.130 449 N CA -0.061 52.988 53.050 -0.001 0.000 1.026 449 N CB 0.948 39.431 38.487 -0.006 0.000 1.335 449 N HN 0.710 nan 8.380 nan 0.000 0.516 450 A N 2.874 125.716 122.820 0.036 0.000 2.139 450 A HA -0.190 4.135 4.320 0.008 0.000 0.221 450 A C 2.167 179.755 177.584 0.006 0.000 1.159 450 A CA 1.068 53.110 52.037 0.009 0.000 0.662 450 A CB -0.410 18.691 19.000 0.169 0.000 0.796 450 A HN 0.575 nan 8.150 nan 0.000 0.463 451 K N 0.062 120.481 120.400 0.032 0.000 2.148 451 K HA -0.126 4.198 4.320 0.008 0.000 0.204 451 K C 1.638 178.228 176.600 -0.018 0.000 1.050 451 K CA 1.931 58.230 56.287 0.021 0.000 0.942 451 K CB -0.726 31.792 32.500 0.029 0.000 0.724 451 K HN 0.428 nan 8.250 nan 0.000 0.446 452 T N 1.874 116.407 114.554 -0.036 0.000 2.699 452 T HA -0.124 4.231 4.350 0.008 0.000 0.268 452 T C 2.015 176.661 174.700 -0.089 0.000 1.036 452 T CA 1.571 63.635 62.100 -0.059 0.000 1.147 452 T CB -0.035 68.794 68.868 -0.065 0.000 0.862 452 T HN 0.204 nan 8.240 nan 0.000 0.446 453 I N 0.395 120.895 120.570 -0.117 0.000 2.296 453 I HA -0.110 4.064 4.170 0.008 0.000 0.242 453 I C 2.760 178.811 176.117 -0.109 0.000 1.087 453 I CA 0.984 62.185 61.300 -0.165 0.000 1.393 453 I CB -0.488 37.364 38.000 -0.248 0.000 1.093 453 I HN 0.215 nan 8.210 nan 0.000 0.421 454 T N 0.559 115.067 114.554 -0.077 0.000 2.635 454 T HA -0.208 4.146 4.350 0.008 0.000 0.267 454 T C 1.986 176.675 174.700 -0.018 0.000 1.040 454 T CA 2.205 64.289 62.100 -0.027 0.000 1.156 454 T CB -0.348 68.536 68.868 0.026 0.000 0.863 454 T HN 0.487 nan 8.240 nan 0.000 0.430 455 S N 0.923 116.615 115.700 -0.013 0.000 2.453 455 S HA 0.066 4.541 4.470 0.008 0.000 0.231 455 S C 2.287 176.882 174.600 -0.008 0.000 1.005 455 S CA 1.140 59.340 58.200 -0.002 0.000 0.949 455 S CB -0.785 62.415 63.200 0.001 0.000 0.774 455 S HN 0.514 nan 8.310 nan 0.000 0.510 456 G N 2.556 111.329 108.800 -0.045 0.000 2.453 456 G HA2 -0.073 3.891 3.960 0.008 0.000 0.215 456 G HA3 -0.073 3.891 3.960 0.008 0.000 0.215 456 G C 1.444 176.292 174.900 -0.087 0.000 1.201 456 G CA 1.016 46.078 45.100 -0.064 0.000 0.784 456 G HN 0.505 nan 8.290 nan 0.000 0.545 457 L N 0.033 121.187 121.223 -0.115 0.000 2.042 457 L HA -0.122 4.223 4.340 0.008 0.000 0.210 457 L C 2.973 179.746 176.870 -0.162 0.000 1.076 457 L CA 1.475 56.214 54.840 -0.168 0.000 0.749 457 L CB -0.485 41.509 42.059 -0.110 0.000 0.893 457 L HN 0.209 nan 8.230 nan 0.000 0.432 458 K N -0.461 119.894 120.400 -0.075 0.000 1.978 458 K HA -0.263 4.062 4.320 0.008 0.000 0.214 458 K C 2.182 178.750 176.600 -0.053 0.000 1.049 458 K CA 1.948 58.208 56.287 -0.045 0.000 0.939 458 K CB -0.524 31.982 32.500 0.009 0.000 0.721 458 K HN 0.103 nan 8.250 nan 0.000 0.441 459 Y N 1.211 121.455 120.300 -0.094 0.000 2.271 459 Y HA -0.347 4.207 4.550 0.008 0.000 0.284 459 Y C 1.826 177.666 175.900 -0.101 0.000 1.189 459 Y CA 1.419 59.471 58.100 -0.080 0.000 1.229 459 Y CB -0.317 38.094 38.460 -0.082 0.000 0.973 459 Y HN 0.143 nan 8.280 nan 0.000 0.537 460 A N -0.769 121.839 122.820 -0.354 0.000 1.864 460 A HA -0.005 4.320 4.320 0.008 0.000 0.213 460 A C 1.934 179.386 177.584 -0.220 0.000 1.266 460 A CA 1.043 52.784 52.037 -0.492 0.000 0.612 460 A CB -1.122 17.296 19.000 -0.969 0.000 0.940 460 A HN 0.315 nan 8.150 nan 0.000 0.463 461 L N 0.079 121.188 121.223 -0.190 0.000 2.263 461 L HA -0.183 4.162 4.340 0.008 0.000 0.216 461 L C 2.703 179.574 176.870 0.003 0.000 1.111 461 L CA 1.816 56.645 54.840 -0.019 0.000 0.773 461 L CB -0.783 41.195 42.059 -0.134 0.000 0.906 461 L HN 0.464 nan 8.230 nan 0.000 0.439 462 A N -2.529 120.248 122.820 -0.072 0.000 1.943 462 A HA -0.023 4.302 4.320 0.008 0.000 0.213 462 A C 2.248 179.781 177.584 -0.085 0.000 1.181 462 A CA 1.564 53.569 52.037 -0.054 0.000 0.653 462 A CB -0.358 18.614 19.000 -0.047 0.000 0.833 462 A HN 0.384 nan 8.150 nan 0.000 0.451 463 T N -1.826 112.601 114.554 -0.211 0.000 3.004 463 T HA 0.392 4.746 4.350 0.008 0.000 0.243 463 T C 1.394 176.049 174.700 -0.074 0.000 1.020 463 T CA 1.112 63.083 62.100 -0.216 0.000 1.145 463 T CB 0.211 68.750 68.868 -0.549 0.000 0.876 463 T HN 1.371 nan 8.240 nan 0.000 0.449 464 G N 1.982 110.789 108.800 0.011 0.000 2.134 464 G HA2 -0.180 3.785 3.960 0.008 0.000 0.209 464 G HA3 -0.180 3.785 3.960 0.008 0.000 0.209 464 G C -0.055 174.952 174.900 0.178 0.000 0.993 464 G CA -0.465 44.722 45.100 0.144 0.000 0.669 464 G HN 0.411 nan 8.290 nan 0.000 0.519 465 N N 0.643 119.413 118.700 0.117 0.000 3.044 465 N HA 0.196 4.941 4.740 0.008 0.000 0.254 465 N C 1.143 176.802 175.510 0.249 0.000 1.253 465 N CA -0.498 52.642 53.050 0.150 0.000 0.944 465 N CB 0.177 38.711 38.487 0.077 0.000 1.217 465 N HN 0.489 nan 8.380 nan 0.000 0.498 466 W N 1.672 122.963 121.300 -0.015 0.000 2.309 466 W HA -0.134 4.530 4.660 0.008 0.000 0.326 466 W C 1.150 177.698 176.519 0.047 0.000 1.222 466 W CA 1.612 58.963 57.345 0.010 0.000 1.237 466 W CB 0.095 29.555 29.460 0.001 0.000 1.180 466 W HN 0.427 nan 8.180 nan 0.000 0.456 478 G N -0.911 107.893 108.800 0.007 0.000 2.218 478 G HA2 -0.055 3.909 3.960 0.008 0.000 0.216 478 G HA3 -0.055 3.909 3.960 0.008 0.000 0.216 478 G C 0.423 175.297 174.900 -0.043 0.000 0.994 478 G CA 0.283 45.377 45.100 -0.010 0.000 0.637 478 G HN 1.328 nan 8.290 nan 0.000 0.505 479 V N 1.025 120.873 119.914 -0.110 0.000 3.432 479 V HA 0.523 4.648 4.120 0.008 0.000 0.304 479 V C 1.570 177.603 176.094 -0.101 0.000 1.107 479 V CA 0.947 63.112 62.300 -0.224 0.000 1.153 479 V CB 1.150 32.611 31.823 -0.604 0.000 1.072 479 V HN 2.025 nan 8.190 nan 0.000 0.485 480 S N 1.561 117.201 115.700 -0.100 0.000 3.394 480 S HA -0.167 4.307 4.470 0.008 0.000 0.490 480 S C -0.483 174.142 174.600 0.042 0.000 0.702 480 S CA 0.751 58.966 58.200 0.026 0.000 1.358 480 S CB -0.713 62.581 63.200 0.155 0.000 1.128 480 S HN 0.814 nan 8.310 nan 0.000 0.775 481 Q N 2.664 122.486 119.800 0.035 0.000 2.399 481 Q HA 0.644 4.989 4.340 0.008 0.000 0.276 481 Q C -0.309 175.746 176.000 0.092 0.000 1.098 481 Q CA -1.227 54.627 55.803 0.085 0.000 0.827 481 Q CB 1.662 30.500 28.738 0.166 0.000 1.386 481 Q HN 0.437 nan 8.270 nan 0.000 0.443 482 V N 2.390 122.362 119.914 0.097 0.000 2.425 482 V HA -0.050 4.075 4.120 0.008 0.000 0.276 482 V C 0.290 176.438 176.094 0.089 0.000 1.017 482 V CA -0.103 62.234 62.300 0.061 0.000 1.062 482 V CB -0.617 31.225 31.823 0.031 0.000 0.997 482 V HN 0.568 nan 8.190 nan 0.000 0.476 483 L N 5.518 126.748 121.223 0.012 0.000 2.605 483 L HA -0.016 4.328 4.340 0.008 0.000 0.296 483 L C 0.478 177.356 176.870 0.013 0.000 1.255 483 L CA 0.841 55.687 54.840 0.009 0.000 0.879 483 L CB -0.223 41.670 42.059 -0.276 0.000 1.124 483 L HN 0.740 nan 8.230 nan 0.000 0.507 484 N N 2.393 121.177 118.700 0.140 0.000 2.530 484 N HA 0.374 5.118 4.740 0.008 0.000 0.273 484 N C -0.209 175.175 175.510 -0.210 0.000 1.173 484 N CA 0.002 53.023 53.050 -0.048 0.000 0.967 484 N CB 0.557 39.069 38.487 0.041 0.000 1.109 484 N HN 0.485 nan 8.380 nan 0.000 0.453 485 R N 1.655 121.829 120.500 -0.544 0.000 2.617 485 R HA 0.234 4.578 4.340 0.008 0.000 0.432 485 R C -0.300 175.578 176.300 -0.703 0.000 1.018 485 R CA -0.079 55.712 56.100 -0.515 0.000 1.077 485 R CB -0.241 29.728 30.300 -0.551 0.000 1.394 485 R HN 0.631 nan 8.270 nan 0.000 0.608 486 Y N -2.033 118.137 120.300 -0.216 0.000 2.269 486 Y HA 0.305 4.860 4.550 0.007 0.000 0.294 486 Y C 0.797 176.663 175.900 -0.056 0.000 1.120 486 Y CA 0.461 58.446 58.100 -0.191 0.000 1.159 486 Y CB 0.540 38.916 38.460 -0.141 0.000 1.024 486 Y HN -0.212 nan 8.280 nan 0.000 0.532 487 T N -1.002 113.663 114.554 0.185 0.000 2.912 487 T HA 0.116 4.471 4.350 0.008 0.000 0.299 487 T C -0.139 174.677 174.700 0.193 0.000 1.052 487 T CA -0.722 61.490 62.100 0.187 0.000 0.996 487 T CB 1.347 70.303 68.868 0.147 0.000 1.070 487 T HN 0.101 nan 8.240 nan 0.000 0.465 488 Y N 2.976 123.319 120.300 0.072 0.000 2.173 488 Y HA -0.251 4.303 4.550 0.008 0.000 0.282 488 Y C 2.551 178.489 175.900 0.064 0.000 1.192 488 Y CA 2.539 60.663 58.100 0.040 0.000 1.176 488 Y CB -0.255 38.165 38.460 -0.067 0.000 0.969 488 Y HN 0.677 nan 8.280 nan 0.000 0.519 489 S N -1.534 114.193 115.700 0.045 0.000 2.436 489 S HA -0.137 4.338 4.470 0.008 0.000 0.228 489 S C 2.257 176.845 174.600 -0.020 0.000 1.014 489 S CA 0.794 58.992 58.200 -0.004 0.000 0.950 489 S CB -1.009 62.285 63.200 0.157 0.000 0.784 489 S HN 0.577 nan 8.310 nan 0.000 0.504 490 S N 2.125 117.843 115.700 0.031 0.000 2.356 490 S HA -0.160 4.314 4.470 0.008 0.000 0.223 490 S C 1.924 176.531 174.600 0.013 0.000 1.032 490 S CA 1.811 60.036 58.200 0.041 0.000 1.005 490 S CB -1.696 61.582 63.200 0.131 0.000 0.867 490 S HN 0.570 nan 8.310 nan 0.000 0.449 491 T N 3.208 117.746 114.554 -0.028 0.000 2.684 491 T HA 0.017 4.371 4.350 0.008 0.000 0.267 491 T C 1.786 176.431 174.700 -0.091 0.000 1.036 491 T CA 1.685 63.748 62.100 -0.062 0.000 1.148 491 T CB -0.627 68.177 68.868 -0.107 0.000 0.863 491 T HN 0.339 nan 8.240 nan 0.000 0.436 492 L N 0.724 121.834 121.223 -0.188 0.000 1.989 492 L HA -0.129 4.215 4.340 0.008 0.000 0.211 492 L C 2.904 179.742 176.870 -0.053 0.000 1.071 492 L CA 1.297 56.045 54.840 -0.154 0.000 0.749 492 L CB -0.721 41.214 42.059 -0.206 0.000 0.890 492 L HN 0.259 nan 8.230 nan 0.000 0.431 493 S N -1.539 114.142 115.700 -0.031 0.000 2.400 493 S HA -0.265 4.209 4.470 0.008 0.000 0.232 493 S C 1.968 176.608 174.600 0.066 0.000 1.025 493 S CA 1.300 59.503 58.200 0.004 0.000 0.993 493 S CB -0.369 62.829 63.200 -0.004 0.000 0.808 493 S HN 0.508 nan 8.310 nan 0.000 0.478 494 H N -0.006 119.033 119.070 -0.052 0.000 2.363 494 H HA 0.105 4.666 4.556 0.008 0.000 0.301 494 H C 1.953 177.252 175.328 -0.049 0.000 1.074 494 H CA 1.267 57.288 56.048 -0.046 0.000 1.354 494 H CB -0.049 29.684 29.762 -0.049 0.000 1.397 494 H HN 0.326 nan 8.280 nan 0.000 0.516 495 L N 0.314 121.536 121.223 -0.001 0.000 2.265 495 L HA -0.114 4.231 4.340 0.008 0.000 0.215 495 L C 1.642 178.482 176.870 -0.050 0.000 1.117 495 L CA 0.924 55.719 54.840 -0.075 0.000 0.782 495 L CB -0.095 41.934 42.059 -0.050 0.000 0.914 495 L HN 0.209 nan 8.230 nan 0.000 0.441 496 R N -0.300 120.190 120.500 -0.018 0.000 2.586 496 R HA 0.151 4.496 4.340 0.008 0.000 0.306 496 R C 0.369 176.662 176.300 -0.011 0.000 1.079 496 R CA -0.244 55.844 56.100 -0.019 0.000 1.083 496 R CB 0.319 30.610 30.300 -0.014 0.000 1.306 496 R HN 0.164 nan 8.270 nan 0.000 0.567 497 R N -0.012 120.489 120.500 0.003 0.000 2.528 497 R HA 0.240 4.584 4.340 0.008 0.000 0.271 497 R C -0.726 175.571 176.300 -0.005 0.000 1.056 497 R CA 0.266 56.377 56.100 0.018 0.000 1.117 497 R CB 1.218 31.573 30.300 0.092 0.000 1.085 497 R HN -0.170 nan 8.270 nan 0.000 0.530 498 T N 2.205 116.758 114.554 -0.002 0.000 2.916 498 T HA 0.282 4.637 4.350 0.008 0.000 0.298 498 T C -1.495 173.203 174.700 -0.003 0.000 1.031 498 T CA -0.733 61.365 62.100 -0.003 0.000 0.993 498 T CB 1.272 70.150 68.868 0.016 0.000 1.045 498 T HN 0.642 nan 8.240 nan 0.000 0.454 499 N N 0.999 119.693 118.700 -0.010 0.000 2.272 499 N HA 0.582 5.327 4.740 0.008 0.000 0.305 499 N C -1.427 174.081 175.510 -0.005 0.000 1.103 499 N CA -0.468 52.576 53.050 -0.010 0.000 0.791 499 N CB 1.792 40.265 38.487 -0.023 0.000 1.356 499 N HN 0.410 nan 8.380 nan 0.000 0.486 500 T N 4.030 118.587 114.554 0.004 0.000 3.009 500 T HA 0.388 4.742 4.350 0.008 0.000 0.346 500 T C -2.456 172.247 174.700 0.005 0.000 1.092 500 T CA -0.827 61.281 62.100 0.014 0.000 1.080 500 T CB 1.212 70.104 68.868 0.039 0.000 1.037 500 T HN 0.510 nan 8.240 nan 0.000 0.487 501 P HA 0.222 nan 4.420 nan 0.000 0.273 501 P C 0.545 177.845 177.300 0.001 0.000 1.248 501 P CA -0.175 62.923 63.100 -0.004 0.000 0.817 501 P CB 0.642 32.337 31.700 -0.008 0.000 0.995 510 K N 1.409 121.787 120.400 -0.037 0.000 2.464 510 K HA 0.484 4.808 4.320 0.008 0.000 0.252 510 K C -2.406 174.190 176.600 -0.007 0.000 1.000 510 K CA -1.295 54.983 56.287 -0.015 0.000 0.951 510 K CB 2.430 34.927 32.500 -0.005 0.000 1.183 510 K HN 0.240 nan 8.250 nan 0.000 0.445 511 P HA 0.053 nan 4.420 nan 0.000 0.281 511 P C 0.010 177.340 177.300 0.050 0.000 1.291 511 P CA 0.050 63.167 63.100 0.028 0.000 0.906 511 P CB 0.577 32.292 31.700 0.024 0.000 1.388 512 R N -1.149 119.373 120.500 0.036 0.000 2.362 512 R HA 0.281 4.626 4.340 0.008 0.000 0.227 512 R C 0.559 176.886 176.300 0.045 0.000 0.905 512 R CA -0.339 55.781 56.100 0.035 0.000 1.067 512 R CB -0.337 29.974 30.300 0.018 0.000 1.078 512 R HN 0.022 nan 8.270 nan 0.000 0.516 513 Q N 1.839 121.673 119.800 0.057 0.000 2.352 513 Q HA 0.131 4.476 4.340 0.008 0.000 0.260 513 Q C -0.679 175.392 176.000 0.117 0.000 0.976 513 Q CA -0.357 55.486 55.803 0.066 0.000 0.881 513 Q CB 0.985 29.760 28.738 0.062 0.000 1.235 513 Q HN 0.148 nan 8.270 nan 0.000 0.419 514 L N 3.877 125.162 121.223 0.104 0.000 2.410 514 L HA 0.241 4.586 4.340 0.008 0.000 0.273 514 L C -1.167 175.803 176.870 0.166 0.000 1.152 514 L CA 0.341 55.281 54.840 0.166 0.000 0.855 514 L CB 0.291 42.400 42.059 0.082 0.000 1.129 514 L HN 0.732 nan 8.230 nan 0.000 0.463 515 H N 3.926 123.031 119.070 0.057 0.000 2.495 515 H HA 0.426 4.987 4.556 0.008 0.000 0.348 515 H C 0.969 176.160 175.328 -0.228 0.000 1.113 515 H CA -0.315 55.601 56.048 -0.219 0.000 1.195 515 H CB 0.935 30.414 29.762 -0.471 0.000 1.521 515 H HN 0.767 nan 8.280 nan 0.000 0.509 516 N N 1.634 119.836 118.700 -0.830 0.000 2.150 516 N HA -0.317 4.428 4.740 0.008 0.000 0.196 516 N C 1.574 176.873 175.510 -0.351 0.000 0.982 516 N CA 3.075 55.788 53.050 -0.562 0.000 0.896 516 N CB -0.796 37.300 38.487 -0.652 0.000 1.077 516 N HN 0.839 nan 8.380 nan 0.000 0.621 517 T N -0.784 113.512 114.554 -0.430 0.000 2.848 517 T HA -0.191 4.164 4.350 0.008 0.000 0.269 517 T C 1.505 176.236 174.700 0.051 0.000 1.081 517 T CA 1.336 63.367 62.100 -0.114 0.000 1.125 517 T CB -0.545 68.237 68.868 -0.144 0.000 0.848 517 T HN 0.276 nan 8.240 nan 0.000 0.503 518 H N -0.411 118.652 119.070 -0.013 0.000 2.456 518 H HA 0.062 4.623 4.556 0.008 0.000 0.296 518 H C 1.053 176.372 175.328 -0.014 0.000 1.079 518 H CA 0.345 56.304 56.048 -0.148 0.000 1.322 518 H CB -0.736 28.891 29.762 -0.225 0.000 1.388 518 H HN 0.606 nan 8.280 nan 0.000 0.538 519 W N 2.200 123.494 121.300 -0.010 0.000 2.409 519 W HA 0.121 4.785 4.660 0.008 0.000 0.338 519 W C 1.010 177.519 176.519 -0.017 0.000 1.273 519 W CA 1.871 59.199 57.345 -0.029 0.000 1.299 519 W CB -0.009 29.418 29.460 -0.055 0.000 1.192 519 W HN 0.505 nan 8.180 nan 0.000 0.565 520 G N 3.770 112.271 108.800 -0.499 0.000 2.299 520 G HA2 -0.341 3.624 3.960 0.008 0.000 0.237 520 G HA3 -0.341 3.624 3.960 0.008 0.000 0.237 520 G C 0.799 175.613 174.900 -0.143 0.000 1.027 520 G CA 0.571 45.473 45.100 -0.331 0.000 0.619 520 G HN 0.565 nan 8.290 nan 0.000 0.513 521 L N -0.169 121.023 121.223 -0.052 0.000 2.347 521 L HA 0.403 4.747 4.340 0.008 0.000 0.196 521 L C 1.004 177.820 176.870 -0.091 0.000 1.072 521 L CA 0.548 55.380 54.840 -0.013 0.000 0.817 521 L CB -0.001 42.160 42.059 0.170 0.000 1.029 521 L HN 0.134 nan 8.230 nan 0.000 0.478 522 V N -0.504 119.298 119.914 -0.187 0.000 2.581 522 V HA 0.194 4.319 4.120 0.008 0.000 0.303 522 V C -0.095 175.873 176.094 -0.210 0.000 1.041 522 V CA -1.293 60.858 62.300 -0.248 0.000 0.907 522 V CB 2.184 33.713 31.823 -0.489 0.000 0.994 522 V HN 0.293 nan 8.190 nan 0.000 0.442 523 C N 7.666 126.866 119.300 -0.167 0.000 2.633 523 C HA 0.181 4.646 4.460 0.008 0.000 0.415 523 C C 0.172 175.085 174.990 -0.127 0.000 1.393 523 C CA -0.582 58.356 59.018 -0.134 0.000 1.700 523 C CB 0.102 27.782 27.740 -0.100 0.000 2.541 523 C HN 0.882 nan 8.230 nan 0.000 0.603 524 P HA -0.032 nan 4.420 nan 0.000 0.221 524 P C 0.949 178.218 177.300 -0.052 0.000 1.150 524 P CA 2.218 65.282 63.100 -0.060 0.000 0.800 524 P CB 0.179 31.861 31.700 -0.029 0.000 0.787 525 A N 0.399 123.185 122.820 -0.057 0.000 1.919 525 A HA 0.044 4.369 4.320 0.008 0.000 0.211 525 A C 1.254 178.804 177.584 -0.056 0.000 1.310 525 A CA -0.052 51.953 52.037 -0.055 0.000 0.651 525 A CB -1.152 17.818 19.000 -0.051 0.000 0.996 525 A HN 0.170 nan 8.150 nan 0.000 0.479 526 E N 0.940 121.106 120.200 -0.057 0.000 2.729 526 E HA 0.209 4.564 4.350 0.008 0.000 0.246 526 E C -0.462 176.108 176.600 -0.051 0.000 0.984 526 E CA 0.890 57.260 56.400 -0.050 0.000 0.951 526 E CB -0.078 29.591 29.700 -0.051 0.000 0.914 526 E HN 0.349 nan 8.360 nan 0.000 0.509 527 T N 4.840 119.373 114.554 -0.035 0.000 3.168 527 T HA 0.255 4.610 4.350 0.008 0.000 0.373 527 T C -2.906 171.788 174.700 -0.011 0.000 1.681 527 T CA -1.250 60.831 62.100 -0.031 0.000 1.135 527 T CB 1.217 70.063 68.868 -0.037 0.000 1.477 527 T HN 0.375 nan 8.240 nan 0.000 0.480 528 P HA 0.340 nan 4.420 nan 0.000 0.274 528 P C -0.568 176.739 177.300 0.012 0.000 1.231 528 P CA -0.215 62.882 63.100 -0.005 0.000 0.790 528 P CB 0.710 32.399 31.700 -0.019 0.000 0.951 529 E N 0.245 120.459 120.200 0.023 0.000 2.349 529 E HA 0.398 4.753 4.350 0.008 0.000 0.262 529 E C 1.085 177.693 176.600 0.012 0.000 1.088 529 E CA -0.406 56.017 56.400 0.038 0.000 0.899 529 E CB 0.074 29.803 29.700 0.047 0.000 1.044 529 E HN 0.714 nan 8.360 nan 0.000 0.420 530 G N 1.686 110.496 108.800 0.016 0.000 2.602 530 G HA2 -0.494 3.471 3.960 0.008 0.000 0.306 530 G HA3 -0.494 3.471 3.960 0.008 0.000 0.306 530 G C 0.854 175.753 174.900 -0.002 0.000 1.301 530 G CA 1.064 46.166 45.100 0.004 0.000 0.974 530 G HN 0.898 nan 8.290 nan 0.000 0.547 531 Q N -1.725 118.071 119.800 -0.007 0.000 2.747 531 Q HA -0.377 3.968 4.340 0.008 0.000 0.351 531 Q C 2.177 178.174 176.000 -0.006 0.000 0.734 531 Q CA 3.419 59.218 55.803 -0.008 0.000 1.029 531 Q CB -1.539 27.192 28.738 -0.012 0.000 1.116 531 Q HN 2.224 nan 8.270 nan 0.000 0.846 532 A N 0.348 123.164 122.820 -0.007 0.000 2.507 532 A HA 0.306 4.631 4.320 0.008 0.000 0.270 532 A C 0.482 178.063 177.584 -0.005 0.000 1.318 532 A CA 0.051 52.084 52.037 -0.006 0.000 0.924 532 A CB -0.121 18.875 19.000 -0.008 0.000 1.061 532 A HN 0.572 nan 8.150 nan 0.000 0.516 533 C N 0.134 119.433 119.300 -0.002 0.000 2.538 533 C HA 0.384 4.849 4.460 0.008 0.000 0.408 533 C C 2.015 177.004 174.990 -0.002 0.000 1.421 533 C CA 1.519 60.537 59.018 -0.000 0.000 1.642 533 C CB -1.327 26.418 27.740 0.008 0.000 2.553 533 C HN 1.739 nan 8.230 nan 0.000 0.604 534 G N 4.349 113.143 108.800 -0.010 0.000 2.284 534 G HA2 -0.282 3.683 3.960 0.008 0.000 0.261 534 G HA3 -0.282 3.683 3.960 0.008 0.000 0.261 534 G C 0.641 175.536 174.900 -0.008 0.000 0.997 534 G CA 0.798 45.892 45.100 -0.009 0.000 0.621 534 G HN 0.781 nan 8.290 nan 0.000 0.534 535 L N 0.140 121.360 121.223 -0.005 0.000 2.168 535 L HA 0.218 4.563 4.340 0.008 0.000 0.203 535 L C 1.297 178.163 176.870 -0.007 0.000 1.078 535 L CA 0.582 55.423 54.840 0.001 0.000 0.780 535 L CB -0.201 41.860 42.059 0.003 0.000 0.939 535 L HN 0.133 nan 8.230 nan 0.000 0.451 536 V N 1.611 121.516 119.914 -0.015 0.000 2.408 536 V HA 0.167 4.292 4.120 0.008 0.000 0.267 536 V C 0.043 176.114 176.094 -0.038 0.000 1.047 536 V CA -0.249 62.040 62.300 -0.018 0.000 0.937 536 V CB 0.710 32.524 31.823 -0.015 0.000 0.999 536 V HN 0.210 nan 8.190 nan 0.000 0.472 537 K N 3.540 123.913 120.400 -0.046 0.000 2.313 537 K HA 0.546 4.870 4.320 0.008 0.000 0.235 537 K C -0.625 175.938 176.600 -0.063 0.000 1.035 537 K CA -0.996 55.239 56.287 -0.087 0.000 0.868 537 K CB 1.764 34.177 32.500 -0.145 0.000 1.232 537 K HN 0.538 nan 8.250 nan 0.000 0.459 538 N N 1.502 120.152 118.700 -0.085 0.000 2.480 538 N HA 0.258 5.002 4.740 0.008 0.000 0.289 538 N C -1.118 174.347 175.510 -0.075 0.000 1.073 538 N CA -0.365 52.649 53.050 -0.060 0.000 0.885 538 N CB 1.231 39.686 38.487 -0.053 0.000 1.421 538 N HN 0.382 nan 8.380 nan 0.000 0.503 539 L N 1.668 122.859 121.223 -0.052 0.000 2.485 539 L HA 0.134 4.479 4.340 0.008 0.000 0.275 539 L C 1.350 178.181 176.870 -0.065 0.000 1.207 539 L CA 0.069 54.875 54.840 -0.056 0.000 0.855 539 L CB 0.237 42.271 42.059 -0.042 0.000 1.114 539 L HN 0.369 nan 8.230 nan 0.000 0.485 540 S N 1.911 117.560 115.700 -0.086 0.000 2.617 540 S HA 0.176 4.650 4.470 0.008 0.000 0.255 540 S C 1.450 176.020 174.600 -0.051 0.000 1.318 540 S CA -0.663 57.484 58.200 -0.088 0.000 0.978 540 S CB 0.587 63.705 63.200 -0.137 0.000 0.961 540 S HN 0.476 nan 8.310 nan 0.000 0.582 541 L N 0.264 121.474 121.223 -0.022 0.000 2.027 541 L HA -0.034 4.311 4.340 0.008 0.000 0.206 541 L C 2.017 178.914 176.870 0.045 0.000 1.074 541 L CA 1.310 56.206 54.840 0.093 0.000 0.745 541 L CB -0.384 41.782 42.059 0.177 0.000 0.898 541 L HN 0.586 nan 8.230 nan 0.000 0.433 542 M N 0.214 119.699 119.600 -0.191 0.000 2.568 542 M HA 0.072 4.556 4.480 0.008 0.000 0.226 542 M C 0.657 176.730 176.300 -0.378 0.000 1.148 542 M CA -0.055 54.920 55.300 -0.542 0.000 1.007 542 M CB -0.173 31.961 32.600 -0.776 0.000 1.651 542 M HN 0.225 nan 8.290 nan 0.000 0.488 543 S N -0.536 115.032 115.700 -0.219 0.000 2.601 543 S HA 0.491 4.966 4.470 0.008 0.000 0.271 543 S C -0.080 174.335 174.600 -0.309 0.000 1.305 543 S CA -0.841 57.211 58.200 -0.247 0.000 1.022 543 S CB 1.580 64.681 63.200 -0.164 0.000 0.940 543 S HN 0.365 nan 8.310 nan 0.000 0.525 544 C N 1.038 119.974 119.300 -0.607 0.000 3.318 544 C HA 0.695 5.160 4.460 0.008 0.000 0.329 544 C C -0.728 173.773 174.990 -0.816 0.000 1.449 544 C CA -0.884 57.691 59.018 -0.738 0.000 1.397 544 C CB 1.013 28.151 27.740 -1.003 0.000 1.810 544 C HN 0.928 nan 8.230 nan 0.000 0.449 545 I N 1.808 122.111 120.570 -0.444 0.000 2.534 545 I HA 0.263 4.438 4.170 0.008 0.000 0.288 545 I C 0.176 176.380 176.117 0.146 0.000 1.077 545 I CA 0.047 61.269 61.300 -0.129 0.000 1.051 545 I CB 2.085 40.029 38.000 -0.093 0.000 1.234 545 I HN 0.824 nan 8.210 nan 0.000 0.425 546 S N 4.316 120.204 115.700 0.313 0.000 2.593 546 S HA 0.041 4.516 4.470 0.008 0.000 0.300 546 S C 0.544 175.181 174.600 0.063 0.000 1.267 546 S CA -0.418 57.887 58.200 0.175 0.000 1.065 546 S CB 1.380 64.623 63.200 0.071 0.000 0.807 546 S HN 0.500 nan 8.310 nan 0.000 0.499 547 V N 3.254 123.185 119.914 0.029 0.000 3.307 547 V HA 0.435 4.560 4.120 0.008 0.000 0.253 547 V C 1.202 177.281 176.094 -0.025 0.000 1.149 547 V CA 1.246 63.543 62.300 -0.005 0.000 1.112 547 V CB -0.518 31.287 31.823 -0.030 0.000 0.777 547 V HN 1.584 nan 8.190 nan 0.000 0.464 548 G N 0.131 108.913 108.800 -0.030 0.000 3.367 548 G HA2 -0.043 3.922 3.960 0.008 0.000 0.686 548 G HA3 -0.043 3.922 3.960 0.008 0.000 0.686 548 G C -0.446 174.419 174.900 -0.059 0.000 1.146 548 G CA -0.236 44.846 45.100 -0.031 0.000 0.913 548 G HN 0.226 nan 8.290 nan 0.000 0.554 549 T N 1.831 116.362 114.554 -0.038 0.000 2.930 549 T HA 0.587 4.942 4.350 0.008 0.000 0.290 549 T C -0.370 174.318 174.700 -0.019 0.000 1.052 549 T CA -0.538 61.534 62.100 -0.046 0.000 1.017 549 T CB 1.889 70.730 68.868 -0.045 0.000 1.137 549 T HN 0.660 nan 8.240 nan 0.000 0.511 550 D N 2.000 122.393 120.400 -0.012 0.000 2.348 550 D HA 0.160 4.804 4.640 0.008 0.000 0.253 550 D C -1.232 175.066 176.300 -0.002 0.000 1.161 550 D CA -1.890 52.112 54.000 0.004 0.000 0.876 550 D CB 1.552 42.361 40.800 0.015 0.000 1.160 550 D HN 0.131 nan 8.370 nan 0.000 0.459 551 P HA -0.068 nan 4.420 nan 0.000 0.224 551 P C 1.812 179.100 177.300 -0.020 0.000 1.157 551 P CA 0.564 63.660 63.100 -0.006 0.000 0.799 551 P CB 0.383 32.093 31.700 0.016 0.000 0.809 552 M N 1.150 120.748 119.600 -0.003 0.000 2.226 552 M HA -0.134 4.351 4.480 0.008 0.000 0.257 552 M C -0.244 176.058 176.300 0.003 0.000 1.070 552 M CA 3.260 58.561 55.300 0.002 0.000 1.087 552 M CB -2.597 30.012 32.600 0.015 0.000 1.278 552 M HN 0.002 nan 8.290 nan 0.000 0.426 553 P HA -0.185 nan 4.420 nan 0.000 0.219 553 P C 1.327 178.647 177.300 0.033 0.000 1.144 553 P CA 1.732 64.846 63.100 0.022 0.000 0.806 553 P CB -0.338 31.365 31.700 0.006 0.000 0.771 554 I N -0.709 119.857 120.570 -0.007 0.000 2.385 554 I HA -0.102 4.073 4.170 0.008 0.000 0.244 554 I C 2.649 178.774 176.117 0.014 0.000 1.089 554 I CA 0.699 61.993 61.300 -0.010 0.000 1.410 554 I CB -0.479 37.477 38.000 -0.073 0.000 1.117 554 I HN -0.210 nan 8.210 nan 0.000 0.429 555 I N 0.660 121.189 120.570 -0.069 0.000 2.315 555 I HA -0.304 3.871 4.170 0.008 0.000 0.251 555 I C 2.456 178.556 176.117 -0.028 0.000 1.125 555 I CA 1.385 62.603 61.300 -0.137 0.000 1.392 555 I CB -0.794 37.077 38.000 -0.215 0.000 1.065 555 I HN 0.294 nan 8.210 nan 0.000 0.424 556 T N 0.880 115.452 114.554 0.030 0.000 2.623 556 T HA -0.171 4.184 4.350 0.008 0.000 0.254 556 T C 1.667 176.421 174.700 0.090 0.000 1.075 556 T CA 1.337 63.471 62.100 0.057 0.000 1.177 556 T CB -0.480 68.431 68.868 0.072 0.000 0.869 556 T HN 0.324 nan 8.240 nan 0.000 0.403 557 F N 1.715 121.668 119.950 0.005 0.000 2.106 557 F HA -0.250 4.282 4.527 0.008 0.000 0.299 557 F C 1.907 177.737 175.800 0.050 0.000 1.082 557 F CA 1.400 59.422 58.000 0.036 0.000 1.244 557 F CB -0.485 38.476 39.000 -0.066 0.000 0.997 557 F HN 0.114 nan 8.300 nan 0.000 0.486 558 L N -0.074 121.216 121.223 0.111 0.000 1.970 558 L HA -0.276 4.069 4.340 0.008 0.000 0.212 558 L C 2.790 179.600 176.870 -0.099 0.000 1.071 558 L CA 1.870 56.701 54.840 -0.016 0.000 0.751 558 L CB -1.142 40.897 42.059 -0.033 0.000 0.889 558 L HN 0.365 nan 8.230 nan 0.000 0.432 559 S N -1.184 114.481 115.700 -0.060 0.000 2.500 559 S HA -0.179 4.295 4.470 0.008 0.000 0.239 559 S C 1.495 176.053 174.600 -0.071 0.000 0.989 559 S CA 0.948 59.113 58.200 -0.058 0.000 0.951 559 S CB -0.338 62.848 63.200 -0.023 0.000 0.759 559 S HN 0.452 nan 8.310 nan 0.000 0.523 560 E N -0.871 119.282 120.200 -0.078 0.000 2.465 560 E HA 0.098 4.452 4.350 0.008 0.000 0.191 560 E C -0.768 175.707 176.600 -0.209 0.000 1.053 560 E CA -0.078 56.256 56.400 -0.110 0.000 0.869 560 E CB 0.206 29.870 29.700 -0.060 0.000 0.977 560 E HN 0.758 nan 8.360 nan 0.000 0.483 561 W N -0.064 120.998 121.300 -0.397 0.000 1.190 561 W HA 0.322 4.987 4.660 0.008 0.000 0.276 561 W C 0.589 176.968 176.519 -0.234 0.000 0.867 561 W CA 0.062 57.208 57.345 -0.331 0.000 2.129 561 W CB 0.866 30.041 29.460 -0.475 0.000 1.207 561 W HN 0.146 nan 8.180 nan 0.000 0.477 562 G N 0.826 109.611 108.800 -0.025 0.000 2.713 562 G HA2 -0.158 3.807 3.960 0.008 0.000 0.215 562 G HA3 -0.158 3.807 3.960 0.008 0.000 0.215 562 G C 0.354 175.222 174.900 -0.054 0.000 1.265 562 G CA -0.126 45.018 45.100 0.073 0.000 1.204 562 G HN 0.531 nan 8.290 nan 0.000 0.545 563 M N 1.438 120.924 119.600 -0.190 0.000 2.460 563 M HA -0.124 4.361 4.480 0.008 0.000 0.182 563 M C -0.097 176.180 176.300 -0.037 0.000 0.903 563 M CA 1.568 56.797 55.300 -0.118 0.000 0.555 563 M CB -1.505 31.001 32.600 -0.157 0.000 1.106 563 M HN 0.550 nan 8.290 nan 0.000 0.867 564 E N 4.137 124.342 120.200 0.008 0.000 2.415 564 E HA 0.120 4.475 4.350 0.008 0.000 0.260 564 E C -1.935 174.627 176.600 -0.065 0.000 1.016 564 E CA -1.218 55.172 56.400 -0.015 0.000 0.924 564 E CB 0.110 29.813 29.700 0.005 0.000 0.961 564 E HN 0.436 nan 8.360 nan 0.000 0.459 565 P HA -0.142 nan 4.420 nan 0.000 0.263 565 P C 0.518 177.753 177.300 -0.108 0.000 1.175 565 P CA 0.011 63.071 63.100 -0.066 0.000 0.761 565 P CB 0.757 32.437 31.700 -0.034 0.000 0.794 566 L N 3.021 124.129 121.223 -0.192 0.000 2.349 566 L HA -0.195 4.150 4.340 0.008 0.000 0.220 566 L C 2.245 179.107 176.870 -0.014 0.000 1.130 566 L CA 1.770 56.430 54.840 -0.299 0.000 0.791 566 L CB -0.886 40.884 42.059 -0.481 0.000 0.918 566 L HN 0.314 nan 8.230 nan 0.000 0.444 567 E N -0.306 119.896 120.200 0.003 0.000 2.058 567 E HA -0.163 4.191 4.350 0.008 0.000 0.194 567 E C 0.510 177.181 176.600 0.118 0.000 0.997 567 E CA 1.257 57.686 56.400 0.049 0.000 0.801 567 E CB -0.467 29.206 29.700 -0.045 0.000 0.746 567 E HN 0.567 nan 8.360 nan 0.000 0.450 568 D N 0.436 120.882 120.400 0.077 0.000 3.139 568 D HA 0.036 4.681 4.640 0.008 0.000 0.268 568 D C -0.644 175.740 176.300 0.139 0.000 1.322 568 D CA -0.217 53.836 54.000 0.088 0.000 0.940 568 D CB -0.368 40.452 40.800 0.035 0.000 1.050 568 D HN 0.045 nan 8.370 nan 0.000 0.503 569 Y N 1.284 121.611 120.300 0.046 0.000 2.328 569 Y HA 0.297 4.851 4.550 0.008 0.000 0.337 569 Y C -0.530 175.417 175.900 0.078 0.000 1.008 569 Y CA -1.350 56.723 58.100 -0.046 0.000 1.129 569 Y CB 1.072 39.299 38.460 -0.388 0.000 1.185 569 Y HN -0.157 nan 8.280 nan 0.000 0.476 570 V N 9.344 129.060 119.914 -0.331 0.000 2.250 570 V HA 0.272 4.397 4.120 0.008 0.000 0.268 570 V C -1.776 173.947 176.094 -0.618 0.000 1.043 570 V CA -1.549 60.520 62.300 -0.384 0.000 0.814 570 V CB 0.699 32.362 31.823 -0.267 0.000 1.072 570 V HN 0.681 nan 8.190 nan 0.000 0.451 571 P HA -0.268 nan 4.420 nan 0.000 0.213 571 P C 1.442 178.662 177.300 -0.134 0.000 1.176 571 P CA 2.166 64.953 63.100 -0.522 0.000 0.919 571 P CB -0.142 31.449 31.700 -0.181 0.000 0.791 572 H N -0.593 118.413 119.070 -0.106 0.000 2.568 572 H HA -0.013 4.548 4.556 0.008 0.000 0.281 572 H C 1.700 177.006 175.328 -0.036 0.000 1.028 572 H CA 0.977 57.003 56.048 -0.036 0.000 1.199 572 H CB -0.606 29.141 29.762 -0.026 0.000 1.352 572 H HN 0.324 nan 8.280 nan 0.000 0.605 573 Q N 0.424 119.944 119.800 -0.467 0.000 2.378 573 Q HA 0.156 4.501 4.340 0.008 0.000 0.229 573 Q C -0.002 175.905 176.000 -0.154 0.000 0.882 573 Q CA 0.027 55.610 55.803 -0.367 0.000 0.936 573 Q CB 0.937 29.400 28.738 -0.459 0.000 1.092 573 Q HN 0.200 nan 8.270 nan 0.000 0.535 574 S N 1.714 117.356 115.700 -0.096 0.000 2.300 574 S HA 0.221 4.696 4.470 0.008 0.000 0.172 574 S C -2.187 172.447 174.600 0.057 0.000 1.484 574 S CA -0.876 57.329 58.200 0.009 0.000 1.265 574 S CB 1.374 64.628 63.200 0.090 0.000 1.313 574 S HN 0.304 nan 8.310 nan 0.000 0.387 575 P HA -0.117 nan 4.420 nan 0.000 0.214 575 P C 0.347 177.686 177.300 0.066 0.000 1.163 575 P CA 1.322 64.464 63.100 0.069 0.000 0.883 575 P CB -0.016 31.721 31.700 0.062 0.000 0.788 576 D N 0.185 120.609 120.400 0.041 0.000 2.348 576 D HA 0.156 4.801 4.640 0.008 0.000 0.248 576 D C 0.842 177.150 176.300 0.014 0.000 1.142 576 D CA 0.229 54.245 54.000 0.027 0.000 0.904 576 D CB -0.344 40.463 40.800 0.012 0.000 0.901 576 D HN 0.196 nan 8.370 nan 0.000 0.523 577 A N 0.484 123.322 122.820 0.029 0.000 2.340 577 A HA 0.405 4.730 4.320 0.008 0.000 0.268 577 A C 0.504 178.080 177.584 -0.013 0.000 1.100 577 A CA -0.191 51.849 52.037 0.006 0.000 0.803 577 A CB 0.654 19.684 19.000 0.050 0.000 1.043 577 A HN -0.002 nan 8.150 nan 0.000 0.488 578 T N 2.245 116.783 114.554 -0.027 0.000 2.829 578 T HA 0.492 4.846 4.350 0.008 0.000 0.282 578 T C 0.067 174.745 174.700 -0.037 0.000 0.990 578 T CA -0.466 61.626 62.100 -0.014 0.000 1.028 578 T CB 0.684 69.563 68.868 0.018 0.000 0.951 578 T HN 0.687 nan 8.240 nan 0.000 0.460 579 R N 1.757 122.220 120.500 -0.062 0.000 2.207 579 R HA 0.624 4.968 4.340 0.008 0.000 0.334 579 R C -0.938 175.295 176.300 -0.112 0.000 1.013 579 R CA -0.763 55.286 56.100 -0.086 0.000 0.858 579 R CB 0.339 30.511 30.300 -0.214 0.000 1.094 579 R HN 0.269 nan 8.270 nan 0.000 0.457 580 V N 4.494 124.370 119.914 -0.062 0.000 2.583 580 V HA 0.310 4.435 4.120 0.008 0.000 0.287 580 V C -0.414 175.599 176.094 -0.135 0.000 1.051 580 V CA -0.032 62.249 62.300 -0.031 0.000 1.010 580 V CB 0.403 32.222 31.823 -0.006 0.000 0.988 580 V HN 0.566 nan 8.190 nan 0.000 0.478 581 F N 2.985 122.913 119.950 -0.037 0.000 2.540 581 F HA 0.684 5.215 4.527 0.008 0.000 0.317 581 F C -0.181 175.564 175.800 -0.092 0.000 1.104 581 F CA -0.737 57.248 58.000 -0.026 0.000 0.913 581 F CB 2.202 41.097 39.000 -0.175 0.000 1.170 581 F HN 0.133 nan 8.300 nan 0.000 0.450 582 V N 3.441 123.484 119.914 0.215 0.000 2.525 582 V HA 0.295 4.419 4.120 0.008 0.000 0.299 582 V C -0.369 175.797 176.094 0.119 0.000 1.034 582 V CA -1.236 61.081 62.300 0.028 0.000 0.863 582 V CB 1.556 33.317 31.823 -0.102 0.000 0.999 582 V HN 0.828 nan 8.190 nan 0.000 0.423 583 N N 4.157 122.861 118.700 0.007 0.000 2.710 583 N HA -0.237 4.508 4.740 0.008 0.000 0.249 583 N C 1.164 176.832 175.510 0.263 0.000 1.059 583 N CA 1.843 55.020 53.050 0.212 0.000 0.720 583 N CB -0.906 37.707 38.487 0.211 0.000 0.983 583 N HN 1.494 nan 8.380 nan 0.000 0.544 584 G N -3.234 105.705 108.800 0.232 0.000 2.308 584 G HA2 -0.312 3.652 3.960 0.008 0.000 0.221 584 G HA3 -0.312 3.652 3.960 0.008 0.000 0.221 584 G C 0.043 175.292 174.900 0.582 0.000 1.032 584 G CA 0.093 45.397 45.100 0.340 0.000 0.623 584 G HN 0.450 nan 8.290 nan 0.000 0.506 585 V N 1.020 121.228 119.914 0.490 0.000 2.649 585 V HA 0.491 4.616 4.120 0.008 0.000 0.292 585 V C 0.384 176.710 176.094 0.387 0.000 1.055 585 V CA -0.211 62.295 62.300 0.343 0.000 1.023 585 V CB 1.421 33.253 31.823 0.015 0.000 0.992 585 V HN 0.346 nan 8.190 nan 0.000 0.480 586 W N 4.853 126.148 121.300 -0.007 0.000 2.360 586 W HA 0.390 5.054 4.660 0.008 0.000 0.344 586 W C 0.938 177.271 176.519 -0.311 0.000 1.025 586 W CA -1.007 56.097 57.345 -0.402 0.000 1.480 586 W CB -0.288 28.953 29.460 -0.364 0.000 1.350 586 W HN 0.698 nan 8.180 nan 0.000 0.382 587 H N 3.586 122.638 119.070 -0.030 0.000 2.533 587 H HA 0.245 4.806 4.556 0.008 0.000 0.271 587 H C 1.207 176.406 175.328 -0.215 0.000 1.000 587 H CA 1.056 57.046 56.048 -0.097 0.000 1.149 587 H CB 0.481 30.220 29.762 -0.039 0.000 1.375 587 H HN 0.576 nan 8.280 nan 0.000 0.582 588 G N -0.032 108.585 108.800 -0.305 0.000 2.291 588 G HA2 0.079 4.043 3.960 0.008 0.000 0.249 588 G HA3 0.079 4.043 3.960 0.008 0.000 0.249 588 G C -1.548 173.130 174.900 -0.370 0.000 1.340 588 G CA -0.275 44.568 45.100 -0.428 0.000 1.017 588 G HN 0.094 nan 8.290 nan 0.000 0.470 589 V N -0.351 119.380 119.914 -0.306 0.000 3.181 589 V HA 0.877 5.002 4.120 0.008 0.000 0.308 589 V C -1.038 175.047 176.094 -0.015 0.000 1.214 589 V CA -0.595 61.561 62.300 -0.240 0.000 1.053 589 V CB 2.198 33.701 31.823 -0.533 0.000 1.069 589 V HN 1.393 nan 8.190 nan 0.000 0.441 590 H N 1.195 120.203 119.070 -0.104 0.000 3.179 590 H HA 0.506 5.067 4.556 0.008 0.000 0.331 590 H C -0.369 174.947 175.328 -0.021 0.000 1.013 590 H CA -0.606 55.415 56.048 -0.046 0.000 1.430 590 H CB 1.063 30.813 29.762 -0.020 0.000 1.895 590 H HN 0.630 nan 8.280 nan 0.000 0.468 591 R N 2.584 122.902 120.500 -0.303 0.000 2.738 591 R HA 0.153 4.498 4.340 0.008 0.000 0.275 591 R C 0.143 176.116 176.300 -0.544 0.000 1.121 591 R CA -0.543 55.388 56.100 -0.283 0.000 1.207 591 R CB 0.187 30.390 30.300 -0.163 0.000 1.141 591 R HN 0.750 nan 8.270 nan 0.000 0.571 592 N N 1.271 119.799 118.700 -0.287 0.000 2.678 592 N HA -0.111 4.633 4.740 0.008 0.000 0.268 592 N C -1.707 173.657 175.510 -0.243 0.000 1.010 592 N CA 0.240 53.158 53.050 -0.219 0.000 0.784 592 N CB -0.144 38.251 38.487 -0.155 0.000 0.905 592 N HN 0.499 nan 8.380 nan 0.000 0.552 593 P HA -0.032 nan 4.420 nan 0.000 0.227 593 P C 1.163 178.518 177.300 0.091 0.000 1.161 593 P CA 1.087 64.230 63.100 0.072 0.000 0.788 593 P CB 0.036 31.778 31.700 0.070 0.000 0.822 594 A N 1.318 124.163 122.820 0.042 0.000 1.908 594 A HA -0.207 4.118 4.320 0.008 0.000 0.218 594 A C 2.437 180.063 177.584 0.070 0.000 1.181 594 A CA 1.452 53.518 52.037 0.047 0.000 0.627 594 A CB -1.043 17.974 19.000 0.028 0.000 0.818 594 A HN 0.107 nan 8.150 nan 0.000 0.445 595 R N -1.287 119.269 120.500 0.094 0.000 2.057 595 R HA -0.052 4.293 4.340 0.008 0.000 0.229 595 R C 2.201 178.597 176.300 0.160 0.000 1.136 595 R CA 1.256 57.435 56.100 0.131 0.000 0.952 595 R CB -0.851 29.548 30.300 0.164 0.000 0.848 595 R HN 0.493 nan 8.270 nan 0.000 0.430 596 L N 1.258 122.621 121.223 0.234 0.000 2.010 596 L HA -0.266 4.079 4.340 0.008 0.000 0.219 596 L C 2.374 179.292 176.870 0.081 0.000 1.077 596 L CA 1.945 56.909 54.840 0.207 0.000 0.773 596 L CB -0.536 41.696 42.059 0.289 0.000 0.892 596 L HN 0.128 nan 8.230 nan 0.000 0.436 597 M N -0.083 119.565 119.600 0.080 0.000 2.065 597 M HA -0.254 4.231 4.480 0.008 0.000 0.259 597 M C 2.316 178.616 176.300 0.001 0.000 1.069 597 M CA 2.342 57.661 55.300 0.032 0.000 1.110 597 M CB -0.584 32.041 32.600 0.043 0.000 1.328 597 M HN 0.525 nan 8.290 nan 0.000 0.405 598 E N -1.590 118.620 120.200 0.016 0.000 2.160 598 E HA -0.187 4.168 4.350 0.008 0.000 0.195 598 E C 1.477 178.056 176.600 -0.035 0.000 0.991 598 E CA 1.827 58.226 56.400 -0.001 0.000 0.810 598 E CB -0.065 29.647 29.700 0.021 0.000 0.742 598 E HN 0.584 nan 8.360 nan 0.000 0.466 599 T N 1.271 115.794 114.554 -0.052 0.000 2.668 599 T HA -0.128 4.226 4.350 0.008 0.000 0.262 599 T C 1.849 176.426 174.700 -0.205 0.000 1.045 599 T CA 1.267 63.278 62.100 -0.149 0.000 1.152 599 T CB -0.316 68.369 68.868 -0.305 0.000 0.864 599 T HN 0.136 nan 8.240 nan 0.000 0.419 600 L N 0.668 121.774 121.223 -0.194 0.000 1.976 600 L HA -0.261 4.084 4.340 0.008 0.000 0.223 600 L C 2.945 179.703 176.870 -0.187 0.000 1.081 600 L CA 1.836 56.535 54.840 -0.236 0.000 0.784 600 L CB -0.614 41.356 42.059 -0.148 0.000 0.896 600 L HN 0.235 nan 8.230 nan 0.000 0.438 601 R N -0.799 119.634 120.500 -0.112 0.000 2.119 601 R HA -0.176 4.169 4.340 0.008 0.000 0.246 601 R C 2.171 178.409 176.300 -0.103 0.000 1.146 601 R CA 2.001 58.049 56.100 -0.086 0.000 0.962 601 R CB -0.867 29.407 30.300 -0.045 0.000 0.863 601 R HN 0.442 nan 8.270 nan 0.000 0.442 602 T N 1.494 115.984 114.554 -0.106 0.000 2.788 602 T HA -0.080 4.275 4.350 0.008 0.000 0.268 602 T C 1.804 176.426 174.700 -0.130 0.000 1.044 602 T CA 0.981 63.021 62.100 -0.100 0.000 1.139 602 T CB -0.073 68.748 68.868 -0.079 0.000 0.867 602 T HN 0.167 nan 8.240 nan 0.000 0.454 603 L N 0.475 121.585 121.223 -0.189 0.000 2.291 603 L HA 0.093 4.438 4.340 0.008 0.000 0.214 603 L C 2.752 179.506 176.870 -0.193 0.000 1.120 603 L CA 0.768 55.474 54.840 -0.225 0.000 0.799 603 L CB -0.317 41.515 42.059 -0.379 0.000 0.925 603 L HN 0.151 nan 8.230 nan 0.000 0.446 604 R N 0.325 120.722 120.500 -0.172 0.000 2.246 604 R HA -0.003 4.341 4.340 0.008 0.000 0.199 604 R C 2.012 178.231 176.300 -0.134 0.000 0.984 604 R CA 0.440 56.452 56.100 -0.146 0.000 1.015 604 R CB 0.219 30.443 30.300 -0.126 0.000 0.930 604 R HN 0.291 nan 8.270 nan 0.000 0.475 605 R N -0.185 120.240 120.500 -0.126 0.000 2.156 605 R HA 0.065 4.409 4.340 0.008 0.000 0.207 605 R C 2.052 178.282 176.300 -0.116 0.000 1.040 605 R CA 0.548 56.574 56.100 -0.124 0.000 1.013 605 R CB 0.027 30.264 30.300 -0.104 0.000 0.931 605 R HN 0.038 nan 8.270 nan 0.000 0.465 606 K N -0.008 120.330 120.400 -0.104 0.000 2.288 606 K HA -0.071 4.254 4.320 0.008 0.000 0.201 606 K C 0.849 177.395 176.600 -0.090 0.000 1.048 606 K CA 1.293 57.529 56.287 -0.085 0.000 0.956 606 K CB 0.271 32.727 32.500 -0.074 0.000 0.746 606 K HN 0.314 nan 8.250 nan 0.000 0.461 607 G N 0.504 109.240 108.800 -0.107 0.000 2.238 607 G HA2 -0.210 3.755 3.960 0.008 0.000 0.217 607 G HA3 -0.210 3.755 3.960 0.008 0.000 0.217 607 G C 0.480 175.321 174.900 -0.098 0.000 0.996 607 G CA 0.277 45.316 45.100 -0.101 0.000 0.632 607 G HN 0.363 nan 8.290 nan 0.000 0.503 608 D N 0.487 120.822 120.400 -0.108 0.000 2.228 608 D HA -0.042 4.603 4.640 0.008 0.000 0.203 608 D C 1.269 177.484 176.300 -0.142 0.000 0.988 608 D CA 1.121 55.051 54.000 -0.116 0.000 0.864 608 D CB 0.225 40.945 40.800 -0.133 0.000 0.928 608 D HN 0.542 nan 8.370 nan 0.000 0.469 609 I N 1.300 121.771 120.570 -0.165 0.000 2.389 609 I HA 0.068 4.243 4.170 0.008 0.000 0.288 609 I C 0.398 176.443 176.117 -0.120 0.000 0.999 609 I CA -0.919 60.282 61.300 -0.166 0.000 1.129 609 I CB 1.536 39.403 38.000 -0.223 0.000 1.288 609 I HN -0.239 nan 8.210 nan 0.000 0.444 610 N N 8.230 126.874 118.700 -0.092 0.000 2.217 610 N HA -0.061 4.684 4.740 0.008 0.000 0.268 610 N C -1.719 173.752 175.510 -0.065 0.000 1.290 610 N CA -0.608 52.402 53.050 -0.067 0.000 0.831 610 N CB 1.107 39.560 38.487 -0.057 0.000 1.057 610 N HN 0.326 nan 8.380 nan 0.000 0.481 611 P HA -0.149 nan 4.420 nan 0.000 0.218 611 P C 0.739 178.029 177.300 -0.017 0.000 1.146 611 P CA 1.308 64.391 63.100 -0.029 0.000 0.813 611 P CB 0.294 31.993 31.700 -0.001 0.000 0.778 612 E N -0.541 119.623 120.200 -0.059 0.000 2.031 612 E HA -0.090 4.265 4.350 0.008 0.000 0.193 612 E C 0.366 176.860 176.600 -0.176 0.000 0.994 612 E CA 0.582 56.845 56.400 -0.229 0.000 0.800 612 E CB -0.602 29.011 29.700 -0.146 0.000 0.752 612 E HN -0.009 nan 8.360 nan 0.000 0.447 613 V N 3.053 122.914 119.914 -0.089 0.000 2.717 613 V HA -0.124 4.001 4.120 0.008 0.000 0.302 613 V C 0.464 176.539 176.094 -0.031 0.000 1.097 613 V CA 0.467 62.741 62.300 -0.043 0.000 1.262 613 V CB -0.166 31.627 31.823 -0.050 0.000 0.846 613 V HN 0.211 nan 8.190 nan 0.000 0.485 614 S N 6.212 121.932 115.700 0.033 0.000 2.525 614 S HA 0.850 5.324 4.470 0.008 0.000 0.290 614 S C -0.721 173.924 174.600 0.075 0.000 1.152 614 S CA -0.976 57.260 58.200 0.060 0.000 1.072 614 S CB 1.579 64.847 63.200 0.114 0.000 1.027 614 S HN 0.601 nan 8.310 nan 0.000 0.500 615 M N 2.857 122.485 119.600 0.047 0.000 2.204 615 M HA 0.474 4.959 4.480 0.008 0.000 0.293 615 M C -1.769 174.556 176.300 0.040 0.000 0.994 615 M CA -0.495 54.819 55.300 0.022 0.000 0.925 615 M CB 1.678 34.271 32.600 -0.012 0.000 1.577 615 M HN 0.524 nan 8.290 nan 0.000 0.439 616 I N 2.646 123.237 120.570 0.035 0.000 2.474 616 I HA 0.519 4.693 4.170 0.008 0.000 0.294 616 I C -0.225 175.909 176.117 0.028 0.000 1.005 616 I CA -0.441 60.885 61.300 0.044 0.000 1.113 616 I CB 1.940 39.975 38.000 0.058 0.000 1.289 616 I HN 0.634 nan 8.210 nan 0.000 0.436 617 R N 4.045 124.567 120.500 0.037 0.000 2.412 617 R HA 0.240 4.585 4.340 0.008 0.000 0.304 617 R C -0.941 175.379 176.300 0.035 0.000 1.066 617 R CA -0.424 55.697 56.100 0.035 0.000 0.923 617 R CB 0.687 31.011 30.300 0.040 0.000 1.156 617 R HN 0.636 nan 8.270 nan 0.000 0.513 618 D N 6.595 127.011 120.400 0.027 0.000 2.551 618 D HA 0.041 4.686 4.640 0.008 0.000 0.223 618 D C 1.575 177.892 176.300 0.028 0.000 1.144 618 D CA -0.067 53.948 54.000 0.026 0.000 1.025 618 D CB 0.219 41.028 40.800 0.015 0.000 1.085 618 D HN 0.645 nan 8.370 nan 0.000 0.506 619 I N 1.724 122.313 120.570 0.031 0.000 2.132 619 I HA -0.428 3.746 4.170 0.008 0.000 0.238 619 I C 2.109 178.243 176.117 0.028 0.000 1.012 619 I CA 1.592 62.909 61.300 0.029 0.000 1.288 619 I CB -0.160 37.856 38.000 0.028 0.000 0.997 619 I HN 0.258 nan 8.210 nan 0.000 0.402 620 R N 0.051 120.567 120.500 0.027 0.000 2.328 620 R HA -0.131 4.213 4.340 0.008 0.000 0.207 620 R C 1.691 178.011 176.300 0.033 0.000 1.056 620 R CA 0.650 56.766 56.100 0.027 0.000 1.016 620 R CB -0.173 30.140 30.300 0.023 0.000 0.872 620 R HN 0.303 nan 8.270 nan 0.000 0.471 621 E N 0.670 120.891 120.200 0.034 0.000 2.481 621 E HA 0.067 4.422 4.350 0.008 0.000 0.198 621 E C -0.505 176.127 176.600 0.053 0.000 1.027 621 E CA 0.023 56.449 56.400 0.044 0.000 0.900 621 E CB 0.248 29.968 29.700 0.034 0.000 0.993 621 E HN 0.006 nan 8.360 nan 0.000 0.482 622 K N 1.130 121.555 120.400 0.042 0.000 3.150 622 K HA -0.212 4.113 4.320 0.008 0.000 0.267 622 K C -0.908 175.711 176.600 0.032 0.000 1.028 622 K CA 0.870 57.178 56.287 0.035 0.000 0.753 622 K CB -1.416 31.107 32.500 0.039 0.000 1.288 622 K HN 0.278 nan 8.250 nan 0.000 0.473 623 E N 0.435 120.658 120.200 0.038 0.000 2.317 623 E HA 0.506 4.861 4.350 0.008 0.000 0.270 623 E C -1.221 175.410 176.600 0.052 0.000 0.885 623 E CA -1.194 55.238 56.400 0.054 0.000 0.760 623 E CB 1.962 31.681 29.700 0.032 0.000 1.227 623 E HN 0.045 nan 8.360 nan 0.000 0.434 624 L N 2.167 123.439 121.223 0.083 0.000 2.457 624 L HA 0.379 4.724 4.340 0.008 0.000 0.266 624 L C -1.496 175.405 176.870 0.053 0.000 0.979 624 L CA -0.504 54.368 54.840 0.054 0.000 0.857 624 L CB 1.051 43.143 42.059 0.055 0.000 1.213 624 L HN 0.398 nan 8.230 nan 0.000 0.418 625 K N 6.645 127.028 120.400 -0.030 0.000 2.293 625 K HA 0.596 4.920 4.320 0.008 0.000 0.267 625 K C -0.967 175.496 176.600 -0.228 0.000 1.010 625 K CA -0.498 55.688 56.287 -0.167 0.000 0.875 625 K CB 1.976 34.298 32.500 -0.297 0.000 1.106 625 K HN 0.555 nan 8.250 nan 0.000 0.450 626 I N 3.598 124.010 120.570 -0.265 0.000 2.377 626 I HA 0.363 4.538 4.170 0.008 0.000 0.293 626 I C -0.639 175.307 176.117 -0.285 0.000 0.987 626 I CA -0.716 60.474 61.300 -0.183 0.000 1.185 626 I CB 0.858 38.794 38.000 -0.107 0.000 1.341 626 I HN 0.411 nan 8.210 nan 0.000 0.455 627 F N 3.376 123.325 119.950 -0.003 0.000 2.507 627 F HA 0.324 4.856 4.527 0.008 0.000 0.325 627 F C 0.831 176.617 175.800 -0.024 0.000 1.116 627 F CA -0.391 57.606 58.000 -0.005 0.000 0.930 627 F CB 2.202 41.194 39.000 -0.013 0.000 1.146 627 F HN 0.388 nan 8.300 nan 0.000 0.447 628 T N -0.404 114.278 114.554 0.212 0.000 3.003 628 T HA 0.017 4.372 4.350 0.008 0.000 0.261 628 T C 0.138 174.882 174.700 0.074 0.000 1.003 628 T CA -0.284 61.870 62.100 0.091 0.000 0.917 628 T CB -0.129 68.769 68.868 0.051 0.000 1.084 628 T HN 0.409 nan 8.240 nan 0.000 0.522 629 D N 2.342 122.810 120.400 0.114 0.000 2.567 629 D HA 0.175 4.819 4.640 0.008 0.000 0.228 629 D C 0.014 176.316 176.300 0.003 0.000 1.185 629 D CA 0.505 54.533 54.000 0.046 0.000 0.874 629 D CB 0.512 41.308 40.800 -0.006 0.000 1.219 629 D HN 0.378 nan 8.370 nan 0.000 0.494 630 A N 0.535 123.351 122.820 -0.006 0.000 2.317 630 A HA 0.631 4.956 4.320 0.008 0.000 0.327 630 A C 0.759 178.327 177.584 -0.027 0.000 1.178 630 A CA 0.188 52.220 52.037 -0.009 0.000 0.817 630 A CB 1.395 20.395 19.000 -0.000 0.000 1.189 630 A HN 0.801 nan 8.150 nan 0.000 0.489 631 G N 1.619 110.404 108.800 -0.026 0.000 2.151 631 G HA2 -0.135 3.829 3.960 0.008 0.000 0.156 631 G HA3 -0.135 3.829 3.960 0.008 0.000 0.156 631 G C -0.118 174.723 174.900 -0.098 0.000 1.017 631 G CA -0.265 44.800 45.100 -0.058 0.000 0.686 631 G HN 0.854 nan 8.290 nan 0.000 0.503 632 R N 0.098 120.565 120.500 -0.056 0.000 2.295 632 R HA 0.572 4.917 4.340 0.008 0.000 0.324 632 R C 0.361 176.675 176.300 0.024 0.000 0.968 632 R CA -0.742 55.313 56.100 -0.075 0.000 0.837 632 R CB 2.190 32.453 30.300 -0.061 0.000 1.133 632 R HN 0.087 nan 8.270 nan 0.000 0.450 633 V N 4.631 124.509 119.914 -0.060 0.000 2.686 633 V HA 0.206 4.330 4.120 0.008 0.000 0.295 633 V C -0.331 175.835 176.094 0.120 0.000 1.055 633 V CA 0.024 62.319 62.300 -0.008 0.000 1.050 633 V CB 0.026 31.902 31.823 0.089 0.000 0.984 633 V HN 0.736 nan 8.190 nan 0.000 0.482 634 Y N 3.084 123.382 120.300 -0.004 0.000 2.670 634 Y HA 0.880 5.435 4.550 0.008 0.000 0.334 634 Y C -0.655 175.237 175.900 -0.013 0.000 1.185 634 Y CA -1.806 56.299 58.100 0.009 0.000 1.053 634 Y CB 1.527 39.984 38.460 -0.005 0.000 1.298 634 Y HN 0.673 nan 8.280 nan 0.000 0.459 635 R N 0.845 121.481 120.500 0.227 0.000 2.774 635 R HA 0.683 5.028 4.340 0.008 0.000 0.272 635 R C -3.373 173.088 176.300 0.268 0.000 1.000 635 R CA -1.969 54.187 56.100 0.094 0.000 0.906 635 R CB 2.546 32.833 30.300 -0.020 0.000 1.227 635 R HN 0.498 nan 8.270 nan 0.000 0.468 636 P HA 0.367 nan 4.420 nan 0.000 0.277 636 P C -0.705 176.625 177.300 0.049 0.000 1.276 636 P CA -0.445 62.828 63.100 0.289 0.000 0.788 636 P CB 0.955 32.849 31.700 0.324 0.000 1.114 637 L N -1.870 119.339 121.223 -0.023 0.000 2.789 637 L HA 0.304 4.649 4.340 0.008 0.000 0.254 637 L C -0.424 176.394 176.870 -0.085 0.000 0.952 637 L CA -0.692 54.101 54.840 -0.079 0.000 0.942 637 L CB 1.114 43.199 42.059 0.043 0.000 1.502 637 L HN 0.234 nan 8.230 nan 0.000 0.425 638 F N 2.150 122.141 119.950 0.068 0.000 2.418 638 F HA 0.413 4.944 4.527 0.008 0.000 0.341 638 F C 0.713 176.534 175.800 0.034 0.000 1.120 638 F CA -0.159 57.855 58.000 0.024 0.000 1.232 638 F CB 0.734 39.735 39.000 0.001 0.000 1.175 638 F HN 0.130 nan 8.300 nan 0.000 0.569 639 I N 2.022 122.700 120.570 0.178 0.000 2.677 639 I HA 0.161 4.336 4.170 0.008 0.000 0.305 639 I C 0.379 176.497 176.117 0.001 0.000 0.988 639 I CA -0.304 61.005 61.300 0.015 0.000 1.260 639 I CB 1.701 39.681 38.000 -0.034 0.000 1.410 639 I HN 0.430 nan 8.210 nan 0.000 0.523 640 V N 1.166 121.036 119.914 -0.074 0.000 3.562 640 V HA 0.063 4.188 4.120 0.008 0.000 0.270 640 V C 0.245 176.334 176.094 -0.009 0.000 1.418 640 V CA -0.165 62.127 62.300 -0.013 0.000 1.033 640 V CB -0.299 31.545 31.823 0.034 0.000 0.820 640 V HN 0.666 nan 8.190 nan 0.000 0.441 641 E N 3.244 123.418 120.200 -0.043 0.000 3.127 641 E HA -0.234 4.121 4.350 0.008 0.000 0.299 641 E C 1.063 177.661 176.600 -0.003 0.000 0.757 641 E CA 0.979 57.364 56.400 -0.025 0.000 1.106 641 E CB 0.037 29.717 29.700 -0.033 0.000 0.714 641 E HN 0.757 nan 8.360 nan 0.000 0.498 642 D N 2.272 122.678 120.400 0.011 0.000 2.315 642 D HA -0.230 4.415 4.640 0.008 0.000 0.211 642 D C -0.098 176.197 176.300 -0.009 0.000 0.977 642 D CA 0.508 54.516 54.000 0.014 0.000 0.894 642 D CB -0.108 40.708 40.800 0.027 0.000 0.910 642 D HN 0.251 nan 8.370 nan 0.000 0.490 643 D N 1.806 122.201 120.400 -0.009 0.000 2.661 643 D HA -0.042 4.602 4.640 0.008 0.000 0.283 643 D C -0.099 176.186 176.300 -0.026 0.000 1.470 643 D CA 0.963 54.955 54.000 -0.014 0.000 1.126 643 D CB -0.011 40.783 40.800 -0.009 0.000 1.145 643 D HN 0.369 nan 8.370 nan 0.000 0.572 644 E N 0.792 120.967 120.200 -0.040 0.000 2.558 644 E HA -0.006 4.349 4.350 0.008 0.000 0.345 644 E C 0.761 177.318 176.600 -0.073 0.000 0.928 644 E CA -0.089 56.272 56.400 -0.065 0.000 0.774 644 E CB 1.005 30.641 29.700 -0.107 0.000 1.462 644 E HN 0.270 nan 8.360 nan 0.000 0.387 645 S N 3.213 118.883 115.700 -0.050 0.000 2.359 645 S HA -0.105 4.370 4.470 0.008 0.000 0.224 645 S C 1.405 175.972 174.600 -0.055 0.000 1.035 645 S CA 0.593 58.769 58.200 -0.040 0.000 1.018 645 S CB -0.268 62.916 63.200 -0.025 0.000 0.876 645 S HN 0.572 nan 8.310 nan 0.000 0.448 646 L N 2.983 124.166 121.223 -0.066 0.000 2.679 646 L HA 0.287 4.631 4.340 0.008 0.000 0.241 646 L C 0.987 177.776 176.870 -0.135 0.000 1.441 646 L CA 0.198 54.995 54.840 -0.072 0.000 1.181 646 L CB -1.773 40.253 42.059 -0.055 0.000 1.451 646 L HN 0.702 nan 8.230 nan 0.000 0.446 647 G N 1.700 110.423 108.800 -0.127 0.000 3.295 647 G HA2 -0.177 3.788 3.960 0.008 0.000 0.686 647 G HA3 -0.177 3.788 3.960 0.008 0.000 0.686 647 G C 0.259 174.831 174.900 -0.547 0.000 0.958 647 G CA -0.289 44.711 45.100 -0.167 0.000 0.787 647 G HN 0.969 nan 8.290 nan 0.000 0.523 648 H N -0.733 118.347 119.070 0.017 0.000 1.452 648 H HA -0.227 4.333 4.556 0.008 0.000 0.090 648 H C 0.246 175.589 175.328 0.025 0.000 2.619 648 H CA 1.055 57.116 56.048 0.022 0.000 1.901 648 H CB -0.641 29.139 29.762 0.030 0.000 2.257 648 H HN 1.047 nan 8.280 nan 0.000 0.961 649 K N 1.335 121.894 120.400 0.264 0.000 2.213 649 K HA 0.429 4.754 4.320 0.008 0.000 0.270 649 K C -0.622 176.124 176.600 0.244 0.000 1.002 649 K CA -0.176 56.215 56.287 0.173 0.000 0.868 649 K CB 1.202 33.801 32.500 0.165 0.000 1.093 649 K HN 0.513 nan 8.250 nan 0.000 0.454 650 E N 2.925 123.190 120.200 0.108 0.000 2.367 650 E HA 0.337 4.692 4.350 0.008 0.000 0.273 650 E C -1.255 175.371 176.600 0.044 0.000 0.903 650 E CA -0.705 55.753 56.400 0.096 0.000 0.764 650 E CB 1.061 30.782 29.700 0.034 0.000 1.252 650 E HN 0.461 nan 8.360 nan 0.000 0.446 651 L N 3.901 125.135 121.223 0.019 0.000 2.453 651 L HA 0.186 4.530 4.340 0.008 0.000 0.272 651 L C 1.447 178.313 176.870 -0.007 0.000 1.182 651 L CA -0.012 54.819 54.840 -0.015 0.000 0.858 651 L CB 0.448 42.440 42.059 -0.111 0.000 1.120 651 L HN 0.630 nan 8.230 nan 0.000 0.474 652 K N 1.755 122.158 120.400 0.004 0.000 2.097 652 K HA -0.055 4.269 4.320 0.008 0.000 0.206 652 K C 0.545 177.157 176.600 0.020 0.000 1.049 652 K CA 0.751 57.042 56.287 0.007 0.000 0.933 652 K CB -0.009 32.481 32.500 -0.017 0.000 0.717 652 K HN 0.388 nan 8.250 nan 0.000 0.442 653 V N 2.114 122.027 119.914 -0.002 0.000 3.096 653 V HA 0.005 4.130 4.120 0.008 0.000 0.306 653 V C 0.633 176.806 176.094 0.132 0.000 1.088 653 V CA 0.197 62.515 62.300 0.030 0.000 1.129 653 V CB 0.759 32.595 31.823 0.021 0.000 1.014 653 V HN 0.297 nan 8.190 nan 0.000 0.486 654 R N 1.421 122.110 120.500 0.315 0.000 2.752 654 R HA 0.301 4.646 4.340 0.008 0.000 0.271 654 R C 0.833 177.199 176.300 0.109 0.000 1.026 654 R CA -0.882 55.311 56.100 0.155 0.000 0.901 654 R CB 1.196 31.561 30.300 0.109 0.000 1.243 654 R HN 0.662 nan 8.270 nan 0.000 0.463 655 K N 0.734 121.159 120.400 0.041 0.000 2.113 655 K HA -0.142 4.183 4.320 0.008 0.000 0.208 655 K C 1.571 178.176 176.600 0.008 0.000 1.047 655 K CA 2.266 58.574 56.287 0.034 0.000 0.928 655 K CB -0.588 31.922 32.500 0.017 0.000 0.716 655 K HN 0.714 nan 8.250 nan 0.000 0.446 656 G N 1.036 109.797 108.800 -0.065 0.000 2.514 656 G HA2 -0.290 3.674 3.960 0.008 0.000 0.217 656 G HA3 -0.290 3.674 3.960 0.008 0.000 0.217 656 G C 1.242 176.040 174.900 -0.170 0.000 1.198 656 G CA 1.214 46.213 45.100 -0.168 0.000 0.780 656 G HN 0.436 nan 8.290 nan 0.000 0.565 657 H N 0.367 119.438 119.070 0.000 0.000 2.422 657 H HA 0.015 4.575 4.556 0.008 0.000 0.298 657 H C 2.683 178.084 175.328 0.122 0.000 1.098 657 H CA 1.108 57.174 56.048 0.031 0.000 1.315 657 H CB -0.076 29.780 29.762 0.157 0.000 1.382 657 H HN 0.355 nan 8.280 nan 0.000 0.523 658 I N 0.503 121.207 120.570 0.225 0.000 2.353 658 I HA -0.165 4.010 4.170 0.008 0.000 0.248 658 I C 2.739 178.954 176.117 0.163 0.000 1.119 658 I CA 0.754 62.184 61.300 0.217 0.000 1.417 658 I CB -0.268 37.838 38.000 0.178 0.000 1.078 658 I HN 0.132 nan 8.210 nan 0.000 0.421 659 A N 0.609 123.481 122.820 0.087 0.000 1.972 659 A HA -0.240 4.084 4.320 0.008 0.000 0.219 659 A C 2.340 179.958 177.584 0.057 0.000 1.169 659 A CA 1.615 53.686 52.037 0.057 0.000 0.635 659 A CB -0.425 18.580 19.000 0.009 0.000 0.810 659 A HN 0.317 nan 8.150 nan 0.000 0.446 660 K N -0.614 119.797 120.400 0.020 0.000 2.155 660 K HA 0.080 4.404 4.320 0.008 0.000 0.203 660 K C 1.781 178.491 176.600 0.183 0.000 1.052 660 K CA 0.733 56.988 56.287 -0.054 0.000 0.948 660 K CB -0.182 32.066 32.500 -0.420 0.000 0.728 660 K HN 0.493 nan 8.250 nan 0.000 0.448 661 L N 0.170 121.601 121.223 0.346 0.000 2.049 661 L HA -0.094 4.251 4.340 0.008 0.000 0.203 661 L C 2.457 179.499 176.870 0.287 0.000 1.074 661 L CA 1.043 56.142 54.840 0.431 0.000 0.749 661 L CB -0.214 42.082 42.059 0.395 0.000 0.907 661 L HN 0.251 nan 8.230 nan 0.000 0.439 662 M N -0.719 119.020 119.600 0.233 0.000 2.267 662 M HA -0.200 4.285 4.480 0.008 0.000 0.263 662 M C 2.413 178.829 176.300 0.194 0.000 1.063 662 M CA 1.454 56.876 55.300 0.202 0.000 1.090 662 M CB -0.520 32.178 32.600 0.163 0.000 1.392 662 M HN 0.347 nan 8.290 nan 0.000 0.422 663 A N 0.313 123.236 122.820 0.171 0.000 1.873 663 A HA -0.203 4.122 4.320 0.008 0.000 0.218 663 A C 2.183 179.887 177.584 0.201 0.000 1.193 663 A CA 2.546 54.678 52.037 0.158 0.000 0.629 663 A CB -1.270 17.798 19.000 0.113 0.000 0.826 663 A HN 0.439 nan 8.150 nan 0.000 0.447 664 T N -0.313 114.365 114.554 0.207 0.000 2.788 664 T HA -0.127 4.228 4.350 0.008 0.000 0.268 664 T C 1.765 176.570 174.700 0.176 0.000 1.044 664 T CA 1.556 63.770 62.100 0.190 0.000 1.139 664 T CB -0.256 68.735 68.868 0.205 0.000 0.867 664 T HN 0.627 nan 8.240 nan 0.000 0.454 665 E N -0.012 120.307 120.200 0.199 0.000 2.031 665 E HA -0.164 4.191 4.350 0.008 0.000 0.193 665 E C 1.953 178.655 176.600 0.171 0.000 0.994 665 E CA 1.205 57.714 56.400 0.182 0.000 0.800 665 E CB -0.306 29.516 29.700 0.202 0.000 0.752 665 E HN 0.503 nan 8.360 nan 0.000 0.447 666 Y N 2.036 122.388 120.300 0.086 0.000 2.181 666 Y HA -0.251 4.304 4.550 0.008 0.000 0.284 666 Y C 1.658 177.594 175.900 0.058 0.000 1.179 666 Y CA 1.645 59.785 58.100 0.067 0.000 1.179 666 Y CB -0.134 38.362 38.460 0.061 0.000 0.973 666 Y HN 0.040 nan 8.280 nan 0.000 0.519 667 Q N 1.107 120.924 119.800 0.029 0.000 2.425 667 Q HA -0.000 4.345 4.340 0.008 0.000 0.213 667 Q C -0.678 175.282 176.000 -0.066 0.000 0.950 667 Q CA 0.370 56.143 55.803 -0.050 0.000 0.979 667 Q CB -0.200 28.568 28.738 0.050 0.000 0.997 667 Q HN 0.486 nan 8.270 nan 0.000 0.509 679 Y N 3.461 123.809 120.300 0.079 0.000 2.518 679 Y HA 0.409 4.964 4.550 0.008 0.000 0.344 679 Y C 0.170 176.131 175.900 0.103 0.000 0.982 679 Y CA -0.336 57.815 58.100 0.085 0.000 1.234 679 Y CB 0.582 39.102 38.460 0.099 0.000 1.114 679 Y HN 0.030 nan 8.280 nan 0.000 0.515 680 T N 3.937 118.422 114.554 -0.115 0.000 2.865 680 T HA -0.050 4.305 4.350 0.008 0.000 0.302 680 T C 0.995 175.608 174.700 -0.145 0.000 1.078 680 T CA -0.487 61.575 62.100 -0.064 0.000 0.942 680 T CB 0.598 69.458 68.868 -0.013 0.000 1.387 680 T HN 0.839 nan 8.240 nan 0.000 0.557 681 W N -0.080 121.121 121.300 -0.166 0.000 2.640 681 W HA 0.084 4.748 4.660 0.008 0.000 0.268 681 W C 1.549 177.972 176.519 -0.160 0.000 1.263 681 W CA 0.374 57.632 57.345 -0.145 0.000 1.344 681 W CB -0.451 28.954 29.460 -0.092 0.000 1.093 681 W HN 0.523 nan 8.180 nan 0.000 0.603 682 S N 0.989 116.584 115.700 -0.175 0.000 2.428 682 S HA -0.173 4.302 4.470 0.008 0.000 0.230 682 S C 2.057 176.461 174.600 -0.327 0.000 1.014 682 S CA 1.710 59.755 58.200 -0.258 0.000 0.957 682 S CB -0.178 62.981 63.200 -0.068 0.000 0.784 682 S HN 0.396 nan 8.310 nan 0.000 0.499 683 S N 2.254 117.750 115.700 -0.340 0.000 2.368 683 S HA -0.004 4.470 4.470 0.008 0.000 0.225 683 S C 1.789 176.158 174.600 -0.385 0.000 1.030 683 S CA 0.844 58.848 58.200 -0.327 0.000 0.999 683 S CB -0.710 62.214 63.200 -0.460 0.000 0.844 683 S HN 0.414 nan 8.310 nan 0.000 0.459 684 L N 0.371 121.255 121.223 -0.566 0.000 2.046 684 L HA -0.022 4.323 4.340 0.008 0.000 0.208 684 L C 2.617 179.176 176.870 -0.519 0.000 1.077 684 L CA 0.899 55.438 54.840 -0.502 0.000 0.747 684 L CB -0.618 41.094 42.059 -0.580 0.000 0.896 684 L HN 0.283 nan 8.230 nan 0.000 0.432 685 L N -0.049 120.767 121.223 -0.679 0.000 2.093 685 L HA -0.131 4.214 4.340 0.008 0.000 0.208 685 L C 2.226 178.878 176.870 -0.362 0.000 1.085 685 L CA 1.721 56.200 54.840 -0.602 0.000 0.755 685 L CB -0.707 40.939 42.059 -0.688 0.000 0.904 685 L HN 0.249 nan 8.230 nan 0.000 0.435 686 N N -0.029 118.501 118.700 -0.283 0.000 2.173 686 N HA -0.114 4.631 4.740 0.008 0.000 0.184 686 N C 1.287 176.713 175.510 -0.139 0.000 1.025 686 N CA 1.122 54.066 53.050 -0.177 0.000 0.852 686 N CB -0.205 38.207 38.487 -0.125 0.000 0.998 686 N HN 0.483 nan 8.380 nan 0.000 0.427 687 E N 0.700 120.823 120.200 -0.129 0.000 2.482 687 E HA 0.076 4.431 4.350 0.008 0.000 0.200 687 E C 0.283 176.813 176.600 -0.116 0.000 1.147 687 E CA -0.174 56.178 56.400 -0.080 0.000 0.912 687 E CB -0.493 29.194 29.700 -0.021 0.000 0.938 687 E HN 0.351 nan 8.360 nan 0.000 0.519 688 G N 1.316 110.023 108.800 -0.155 0.000 2.356 688 G HA2 -0.280 3.685 3.960 0.008 0.000 0.296 688 G HA3 -0.280 3.685 3.960 0.008 0.000 0.296 688 G C 0.519 175.330 174.900 -0.148 0.000 1.022 688 G CA 0.286 45.294 45.100 -0.153 0.000 0.961 688 G HN 0.372 nan 8.290 nan 0.000 0.510 689 L N -1.690 119.417 121.223 -0.194 0.000 2.640 689 L HA 0.360 4.705 4.340 0.008 0.000 0.230 689 L C 0.574 177.382 176.870 -0.105 0.000 1.123 689 L CA -0.000 54.751 54.840 -0.147 0.000 0.900 689 L CB 0.271 42.204 42.059 -0.210 0.000 1.146 689 L HN 0.199 nan 8.230 nan 0.000 0.484 690 V N -1.777 118.011 119.914 -0.210 0.000 3.216 690 V HA 0.464 4.588 4.120 0.008 0.000 0.302 690 V C -0.955 174.991 176.094 -0.246 0.000 1.286 690 V CA -0.937 61.224 62.300 -0.232 0.000 1.048 690 V CB 2.853 34.403 31.823 -0.454 0.000 1.081 690 V HN -0.019 nan 8.190 nan 0.000 0.442 691 E N -0.129 119.974 120.200 -0.162 0.000 2.433 691 E HA 0.491 4.846 4.350 0.008 0.000 0.278 691 E C -2.042 174.541 176.600 -0.028 0.000 0.976 691 E CA -0.749 55.564 56.400 -0.146 0.000 0.793 691 E CB 3.124 32.830 29.700 0.011 0.000 1.311 691 E HN 0.709 nan 8.360 nan 0.000 0.460 692 Y N 1.529 121.839 120.300 0.017 0.000 2.434 692 Y HA 0.411 4.966 4.550 0.008 0.000 0.341 692 Y C 0.014 175.897 175.900 -0.029 0.000 0.965 692 Y CA -0.691 57.432 58.100 0.039 0.000 1.205 692 Y CB 0.773 39.117 38.460 -0.194 0.000 1.121 692 Y HN 0.164 nan 8.280 nan 0.000 0.507 693 I N 4.933 125.645 120.570 0.236 0.000 2.378 693 I HA 0.179 4.354 4.170 0.008 0.000 0.291 693 I C -0.539 175.695 176.117 0.195 0.000 0.992 693 I CA -0.825 60.550 61.300 0.126 0.000 1.154 693 I CB 1.387 39.395 38.000 0.012 0.000 1.315 693 I HN 0.603 nan 8.210 nan 0.000 0.448 694 D N 5.528 126.021 120.400 0.156 0.000 2.326 694 D HA 0.275 4.920 4.640 0.008 0.000 0.251 694 D C 0.862 177.256 176.300 0.157 0.000 1.023 694 D CA -0.645 53.464 54.000 0.183 0.000 0.966 694 D CB 1.912 42.788 40.800 0.128 0.000 1.156 694 D HN 0.530 nan 8.370 nan 0.000 0.494 695 A N 0.664 123.602 122.820 0.197 0.000 2.042 695 A HA -0.288 4.037 4.320 0.008 0.000 0.222 695 A C 1.920 179.652 177.584 0.246 0.000 1.167 695 A CA 2.156 54.343 52.037 0.250 0.000 0.649 695 A CB -0.751 18.462 19.000 0.355 0.000 0.809 695 A HN 0.677 nan 8.150 nan 0.000 0.457 696 E N -0.057 120.230 120.200 0.144 0.000 2.028 696 E HA -0.148 4.207 4.350 0.008 0.000 0.190 696 E C 1.959 178.624 176.600 0.108 0.000 0.984 696 E CA 1.608 58.063 56.400 0.092 0.000 0.800 696 E CB -0.343 29.387 29.700 0.049 0.000 0.758 696 E HN 0.690 nan 8.360 nan 0.000 0.448 697 E N 0.022 120.285 120.200 0.104 0.000 2.204 697 E HA -0.209 4.146 4.350 0.008 0.000 0.194 697 E C 1.862 178.499 176.600 0.062 0.000 0.989 697 E CA 0.847 57.297 56.400 0.082 0.000 0.824 697 E CB -0.048 29.694 29.700 0.070 0.000 0.756 697 E HN 0.342 nan 8.360 nan 0.000 0.477 698 E N 0.501 120.743 120.200 0.070 0.000 2.130 698 E HA -0.249 4.106 4.350 0.008 0.000 0.196 698 E C 1.781 178.418 176.600 0.062 0.000 0.998 698 E CA 1.209 57.638 56.400 0.048 0.000 0.806 698 E CB 0.116 29.871 29.700 0.092 0.000 0.738 698 E HN 0.233 nan 8.360 nan 0.000 0.459 699 E N 0.026 120.286 120.200 0.100 0.000 2.130 699 E HA -0.179 4.176 4.350 0.008 0.000 0.196 699 E C 1.889 178.531 176.600 0.070 0.000 0.998 699 E CA 1.503 57.961 56.400 0.097 0.000 0.806 699 E CB -0.186 29.583 29.700 0.115 0.000 0.738 699 E HN 0.292 nan 8.360 nan 0.000 0.459 700 S N 0.122 115.864 115.700 0.070 0.000 2.614 700 S HA 0.200 4.675 4.470 0.008 0.000 0.230 700 S C 0.834 175.493 174.600 0.099 0.000 0.952 700 S CA -0.586 57.659 58.200 0.074 0.000 0.949 700 S CB -0.773 62.471 63.200 0.073 0.000 0.786 700 S HN 0.271 nan 8.310 nan 0.000 0.478 701 I N -2.399 118.230 120.570 0.099 0.000 2.892 701 I HA 0.774 4.949 4.170 0.008 0.000 0.306 701 I C -1.517 174.696 176.117 0.161 0.000 1.078 701 I CA -1.696 59.704 61.300 0.168 0.000 1.032 701 I CB 1.860 39.942 38.000 0.137 0.000 1.229 701 I HN 0.031 nan 8.210 nan 0.000 0.435 702 L N 4.930 126.302 121.223 0.247 0.000 2.313 702 L HA 0.628 4.973 4.340 0.008 0.000 0.283 702 L C -0.945 176.113 176.870 0.313 0.000 1.013 702 L CA -0.363 54.639 54.840 0.270 0.000 0.816 702 L CB 1.411 43.657 42.059 0.312 0.000 1.236 702 L HN 0.514 nan 8.230 nan 0.000 0.419 703 I N 4.887 125.557 120.570 0.166 0.000 2.410 703 I HA 0.581 4.756 4.170 0.008 0.000 0.286 703 I C 0.086 176.017 176.117 -0.310 0.000 1.009 703 I CA -0.777 60.510 61.300 -0.022 0.000 1.111 703 I CB 1.754 39.748 38.000 -0.011 0.000 1.262 703 I HN 0.704 nan 8.210 nan 0.000 0.443 704 A N 5.392 127.732 122.820 -0.800 0.000 2.363 704 A HA 0.447 4.772 4.320 0.008 0.000 0.270 704 A C 0.737 178.108 177.584 -0.354 0.000 1.121 704 A CA -0.390 51.062 52.037 -0.975 0.000 0.800 704 A CB 0.945 19.085 19.000 -1.433 0.000 1.052 704 A HN 0.854 nan 8.150 nan 0.000 0.493 705 M N 1.070 120.543 119.600 -0.212 0.000 2.074 705 M HA -0.033 4.451 4.480 0.008 0.000 0.258 705 M C 1.066 177.297 176.300 -0.115 0.000 1.083 705 M CA 1.851 57.084 55.300 -0.111 0.000 1.128 705 M CB -0.239 32.307 32.600 -0.089 0.000 1.301 705 M HN 0.785 nan 8.290 nan 0.000 0.417 706 Q N 0.177 119.908 119.800 -0.114 0.000 2.230 706 Q HA 0.202 4.547 4.340 0.008 0.000 0.253 706 Q C -1.855 174.079 176.000 -0.109 0.000 0.919 706 Q CA -1.838 53.904 55.803 -0.102 0.000 0.908 706 Q CB 1.451 30.148 28.738 -0.068 0.000 1.245 706 Q HN 0.174 nan 8.270 nan 0.000 0.437 707 P HA -0.220 nan 4.420 nan 0.000 0.212 707 P C 0.483 177.725 177.300 -0.098 0.000 1.179 707 P CA 1.277 64.304 63.100 -0.121 0.000 0.898 707 P CB 0.133 31.732 31.700 -0.170 0.000 0.775 708 E N 1.174 121.325 120.200 -0.082 0.000 1.986 708 E HA -0.271 4.084 4.350 0.008 0.000 0.229 708 E C 1.633 178.164 176.600 -0.115 0.000 0.997 708 E CA 1.569 57.925 56.400 -0.074 0.000 0.894 708 E CB -1.871 27.805 29.700 -0.039 0.000 0.813 708 E HN 0.090 nan 8.360 nan 0.000 0.549 709 D N 0.157 120.496 120.400 -0.101 0.000 2.426 709 D HA -0.167 4.478 4.640 0.008 0.000 0.218 709 D C 1.396 177.549 176.300 -0.246 0.000 0.978 709 D CA 1.039 54.955 54.000 -0.139 0.000 0.983 709 D CB -0.010 40.753 40.800 -0.060 0.000 0.862 709 D HN 0.339 nan 8.370 nan 0.000 0.498 710 L N -0.589 120.514 121.223 -0.200 0.000 3.016 710 L HA 0.221 4.565 4.340 0.008 0.000 0.267 710 L C 0.433 177.294 176.870 -0.013 0.000 1.182 710 L CA 0.123 54.894 54.840 -0.116 0.000 0.997 710 L CB 0.641 42.722 42.059 0.036 0.000 1.354 710 L HN -0.210 nan 8.230 nan 0.000 0.569 711 E N 1.258 121.382 120.200 -0.126 0.000 3.428 711 E HA 0.210 4.565 4.350 0.008 0.000 0.191 711 E C -2.429 174.079 176.600 -0.153 0.000 0.980 711 E CA -0.724 55.658 56.400 -0.030 0.000 1.305 711 E CB 1.384 31.110 29.700 0.045 0.000 1.105 711 E HN 0.202 nan 8.360 nan 0.000 0.455 712 P HA 0.497 nan 4.420 nan 0.000 0.292 712 P C -1.065 176.213 177.300 -0.036 0.000 1.313 712 P CA -0.652 62.351 63.100 -0.162 0.000 0.965 712 P CB 1.825 33.431 31.700 -0.158 0.000 1.303 713 A N 0.560 123.357 122.820 -0.037 0.000 2.309 713 A HA 0.320 4.645 4.320 0.008 0.000 0.298 713 A C 0.208 177.826 177.584 0.057 0.000 1.165 713 A CA -0.593 51.459 52.037 0.025 0.000 0.821 713 A CB 0.002 18.988 19.000 -0.023 0.000 1.102 713 A HN 0.628 nan 8.150 nan 0.000 0.500 714 E N 2.093 122.330 120.200 0.062 0.000 2.265 714 E HA 0.407 4.762 4.350 0.008 0.000 0.272 714 E C 0.653 177.260 176.600 0.011 0.000 1.067 714 E CA -0.157 56.264 56.400 0.035 0.000 0.900 714 E CB 0.533 30.221 29.700 -0.019 0.000 1.017 714 E HN 0.788 nan 8.360 nan 0.000 0.431 723 V N 2.608 122.537 119.914 0.024 0.000 2.432 723 V HA 0.253 4.377 4.120 0.008 0.000 0.275 723 V C 0.456 176.568 176.094 0.029 0.000 1.043 723 V CA -0.769 61.548 62.300 0.028 0.000 0.925 723 V CB 1.745 33.585 31.823 0.029 0.000 0.985 723 V HN 0.008 nan 8.190 nan 0.000 0.466 724 D N 7.554 127.974 120.400 0.033 0.000 2.554 724 D HA -0.002 4.643 4.640 0.008 0.000 0.251 724 D C -0.892 175.429 176.300 0.035 0.000 1.213 724 D CA -0.942 53.079 54.000 0.035 0.000 0.900 724 D CB 1.518 42.342 40.800 0.040 0.000 1.135 724 D HN 0.437 nan 8.370 nan 0.000 0.522 725 P HA -0.091 nan 4.420 nan 0.000 0.228 725 P C 0.613 177.933 177.300 0.033 0.000 1.151 725 P CA 0.497 63.615 63.100 0.030 0.000 0.770 725 P CB 0.332 32.048 31.700 0.026 0.000 0.786 726 A N -0.555 122.287 122.820 0.037 0.000 2.220 726 A HA 0.105 4.429 4.320 0.008 0.000 0.211 726 A C 1.096 178.711 177.584 0.050 0.000 1.176 726 A CA 0.106 52.167 52.037 0.040 0.000 0.834 726 A CB -0.311 18.710 19.000 0.036 0.000 0.868 726 A HN 0.137 nan 8.150 nan 0.000 0.488 727 K N 1.419 121.851 120.400 0.054 0.000 2.185 727 K HA 0.288 4.613 4.320 0.008 0.000 0.271 727 K C 0.366 177.003 176.600 0.062 0.000 1.013 727 K CA -0.586 55.741 56.287 0.066 0.000 0.943 727 K CB 0.833 33.373 32.500 0.066 0.000 0.998 727 K HN 0.562 nan 8.250 nan 0.000 0.468 728 R N 1.796 122.338 120.500 0.070 0.000 2.893 728 R HA 0.166 4.511 4.340 0.008 0.000 0.279 728 R C -0.209 176.122 176.300 0.051 0.000 1.076 728 R CA -0.142 55.991 56.100 0.055 0.000 1.203 728 R CB -0.009 30.321 30.300 0.050 0.000 1.137 728 R HN 0.425 nan 8.270 nan 0.000 0.541 729 I N 0.551 121.146 120.570 0.042 0.000 2.377 729 I HA 0.381 4.556 4.170 0.008 0.000 0.293 729 I C 0.202 176.343 176.117 0.040 0.000 0.987 729 I CA -0.800 60.523 61.300 0.039 0.000 1.185 729 I CB 1.593 39.612 38.000 0.032 0.000 1.341 729 I HN 0.494 nan 8.210 nan 0.000 0.455 730 R N 3.733 124.258 120.500 0.043 0.000 2.740 730 R HA 0.598 4.943 4.340 0.008 0.000 0.282 730 R C 0.153 176.479 176.300 0.043 0.000 0.969 730 R CA -0.777 55.349 56.100 0.042 0.000 0.918 730 R CB 2.326 32.654 30.300 0.046 0.000 1.175 730 R HN 0.361 nan 8.270 nan 0.000 0.464 731 V N 0.271 120.211 119.914 0.043 0.000 2.239 731 V HA 0.087 4.211 4.120 0.008 0.000 0.147 731 V C 0.413 176.542 176.094 0.060 0.000 0.891 731 V CA 0.506 62.834 62.300 0.048 0.000 1.342 731 V CB 0.018 31.869 31.823 0.047 0.000 0.803 731 V HN 0.850 nan 8.190 nan 0.000 0.430 732 S N -1.084 114.656 115.700 0.067 0.000 2.638 732 S HA 0.408 4.882 4.470 0.008 0.000 0.274 732 S C -0.869 173.792 174.600 0.101 0.000 1.157 732 S CA -0.568 57.666 58.200 0.057 0.000 0.826 732 S CB 1.308 64.424 63.200 -0.140 0.000 1.139 732 S HN 0.798 nan 8.310 nan 0.000 0.474 733 H N 0.538 119.586 119.070 -0.037 0.000 2.799 733 H HA 0.292 4.853 4.556 0.008 0.000 0.225 733 H C -0.727 174.566 175.328 -0.057 0.000 1.904 733 H CA -0.238 55.844 56.048 0.056 0.000 1.344 733 H CB -0.976 28.851 29.762 0.108 0.000 1.744 733 H HN 0.461 nan 8.280 nan 0.000 0.542 734 H N 2.479 121.493 119.070 -0.094 0.000 3.008 734 H HA 0.519 5.079 4.556 0.008 0.000 0.268 734 H C -0.309 174.879 175.328 -0.232 0.000 1.323 734 H CA -0.033 55.907 56.048 -0.179 0.000 1.401 734 H CB 0.033 29.720 29.762 -0.125 0.000 1.556 734 H HN 0.828 nan 8.280 nan 0.000 0.502 735 A N 2.862 125.543 122.820 -0.231 0.000 2.401 735 A HA 0.131 4.455 4.320 0.008 0.000 0.313 735 A C -0.051 177.239 177.584 -0.491 0.000 1.013 735 A CA -0.747 51.025 52.037 -0.441 0.000 1.034 735 A CB 0.016 18.554 19.000 -0.770 0.000 1.324 735 A HN 0.388 nan 8.150 nan 0.000 0.366 736 T N 2.413 116.817 114.554 -0.249 0.000 3.540 736 T HA 0.425 4.780 4.350 0.008 0.000 0.269 736 T C 0.745 175.364 174.700 -0.135 0.000 1.481 736 T CA 0.899 62.907 62.100 -0.154 0.000 1.224 736 T CB -0.208 68.615 68.868 -0.074 0.000 1.192 736 T HN 0.694 nan 8.240 nan 0.000 0.756 737 T N -0.058 114.371 114.554 -0.208 0.000 3.172 737 T HA 0.226 4.581 4.350 0.008 0.000 0.261 737 T C 0.457 175.191 174.700 0.056 0.000 0.854 737 T CA -0.523 61.531 62.100 -0.076 0.000 0.848 737 T CB -0.014 68.807 68.868 -0.077 0.000 1.267 737 T HN 0.501 nan 8.240 nan 0.000 0.581 738 F N 3.223 123.199 119.950 0.043 0.000 2.480 738 F HA -0.112 4.420 4.527 0.008 0.000 0.409 738 F C 2.021 177.829 175.800 0.013 0.000 0.979 738 F CA 0.625 58.654 58.000 0.047 0.000 1.184 738 F CB 0.618 39.650 39.000 0.053 0.000 0.925 738 F HN 0.211 nan 8.300 nan 0.000 0.543 739 T N -1.307 113.374 114.554 0.212 0.000 2.955 739 T HA 0.219 4.574 4.350 0.008 0.000 0.251 739 T C -0.104 174.346 174.700 -0.417 0.000 1.002 739 T CA 0.005 62.054 62.100 -0.086 0.000 0.970 739 T CB 0.147 68.973 68.868 -0.071 0.000 1.091 739 T HN 0.595 nan 8.240 nan 0.000 0.495 740 H N -0.607 118.517 119.070 0.090 0.000 2.977 740 H HA 0.770 5.330 4.556 0.008 0.000 0.350 740 H C -1.248 174.065 175.328 -0.025 0.000 1.238 740 H CA -0.995 55.086 56.048 0.054 0.000 1.124 740 H CB 1.687 31.480 29.762 0.052 0.000 1.866 740 H HN 0.330 nan 8.280 nan 0.000 0.550 741 C N 1.017 120.415 119.300 0.163 0.000 2.783 741 C HA 0.500 4.965 4.460 0.008 0.000 0.312 741 C C -0.586 174.507 174.990 0.172 0.000 1.182 741 C CA -0.505 58.544 59.018 0.052 0.000 1.432 741 C CB 0.986 28.745 27.740 0.032 0.000 1.933 741 C HN 0.933 nan 8.230 nan 0.000 0.473 742 E N 3.027 123.280 120.200 0.087 0.000 2.376 742 E HA 0.178 4.533 4.350 0.008 0.000 0.266 742 E C 1.237 177.913 176.600 0.126 0.000 1.009 742 E CA -0.044 56.407 56.400 0.085 0.000 0.902 742 E CB 0.414 30.156 29.700 0.071 0.000 0.972 742 E HN 0.513 nan 8.360 nan 0.000 0.439 743 I N 2.599 123.129 120.570 -0.066 0.000 2.163 743 I HA -0.187 3.988 4.170 0.008 0.000 0.243 743 I C 0.655 176.804 176.117 0.054 0.000 1.085 743 I CA 1.673 62.881 61.300 -0.153 0.000 1.347 743 I CB -0.899 36.846 38.000 -0.425 0.000 1.044 743 I HN 0.645 nan 8.210 nan 0.000 0.408 744 H N -0.071 118.910 119.070 -0.148 0.000 3.218 744 H HA 0.105 4.666 4.556 0.008 0.000 0.300 744 H C -2.021 173.254 175.328 -0.089 0.000 1.304 744 H CA -0.757 55.196 56.048 -0.158 0.000 1.562 744 H CB 1.414 30.906 29.762 -0.451 0.000 2.216 744 H HN -0.255 nan 8.280 nan 0.000 0.371 745 P HA -0.298 nan 4.420 nan 0.000 0.219 745 P C 1.365 178.820 177.300 0.260 0.000 1.153 745 P CA 2.200 65.308 63.100 0.014 0.000 0.865 745 P CB 0.126 31.698 31.700 -0.213 0.000 0.788 746 S N -1.940 114.185 115.700 0.710 0.000 2.493 746 S HA -0.100 4.375 4.470 0.008 0.000 0.243 746 S C 1.771 176.488 174.600 0.195 0.000 0.991 746 S CA 0.940 59.444 58.200 0.508 0.000 0.957 746 S CB -0.984 62.486 63.200 0.449 0.000 0.756 746 S HN -0.025 nan 8.310 nan 0.000 0.521 747 M N 1.853 121.497 119.600 0.074 0.000 2.595 747 M HA 0.286 4.771 4.480 0.008 0.000 0.248 747 M C 1.825 178.027 176.300 -0.164 0.000 1.119 747 M CA 0.102 55.362 55.300 -0.067 0.000 1.079 747 M CB -1.220 31.288 32.600 -0.153 0.000 1.472 747 M HN 0.614 nan 8.290 nan 0.000 0.501 748 I N -2.574 117.843 120.570 -0.255 0.000 2.916 748 I HA -0.071 4.104 4.170 0.008 0.000 0.267 748 I C 0.848 176.816 176.117 -0.248 0.000 1.263 748 I CA 0.305 61.340 61.300 -0.440 0.000 1.471 748 I CB -0.400 37.105 38.000 -0.826 0.000 1.089 748 I HN 0.004 nan 8.210 nan 0.000 0.468 749 L N 1.024 122.174 121.223 -0.122 0.000 2.488 749 L HA 0.693 5.038 4.340 0.008 0.000 0.249 749 L C 0.627 177.455 176.870 -0.070 0.000 1.151 749 L CA -0.329 54.465 54.840 -0.078 0.000 0.806 749 L CB 0.886 42.927 42.059 -0.031 0.000 1.261 749 L HN 0.181 nan 8.230 nan 0.000 0.484 750 G N -1.404 107.361 108.800 -0.058 0.000 2.672 750 G HA2 0.463 4.427 3.960 0.008 0.000 0.292 750 G HA3 0.463 4.427 3.960 0.008 0.000 0.292 750 G C 0.362 175.241 174.900 -0.036 0.000 1.375 750 G CA -0.527 44.547 45.100 -0.044 0.000 0.890 750 G HN 0.397 nan 8.290 nan 0.000 0.476 751 V N 1.227 121.127 119.914 -0.022 0.000 2.316 751 V HA -0.433 3.692 4.120 0.008 0.000 0.247 751 V C 3.328 179.401 176.094 -0.035 0.000 1.028 751 V CA 3.901 66.187 62.300 -0.022 0.000 1.105 751 V CB -1.500 30.311 31.823 -0.020 0.000 0.781 751 V HN 1.242 nan 8.190 nan 0.000 0.494 752 A N -0.159 122.641 122.820 -0.034 0.000 1.863 752 A HA -0.285 4.040 4.320 0.008 0.000 0.218 752 A C 2.362 179.904 177.584 -0.070 0.000 1.233 752 A CA 3.844 55.856 52.037 -0.042 0.000 0.655 752 A CB -1.373 17.605 19.000 -0.037 0.000 0.839 752 A HN 1.182 nan 8.150 nan 0.000 0.454 753 A N -1.282 121.497 122.820 -0.068 0.000 2.076 753 A HA -0.056 4.268 4.320 0.008 0.000 0.220 753 A C 2.332 179.854 177.584 -0.104 0.000 1.160 753 A CA 2.005 53.993 52.037 -0.081 0.000 0.653 753 A CB -0.881 18.081 19.000 -0.064 0.000 0.801 753 A HN 0.497 nan 8.150 nan 0.000 0.455 754 S N -0.696 114.947 115.700 -0.093 0.000 2.419 754 S HA -0.095 4.380 4.470 0.008 0.000 0.235 754 S C 1.403 175.888 174.600 -0.192 0.000 1.019 754 S CA 1.315 59.452 58.200 -0.105 0.000 0.982 754 S CB -0.384 62.778 63.200 -0.064 0.000 0.789 754 S HN 0.589 nan 8.310 nan 0.000 0.490 755 I N 0.769 121.192 120.570 -0.246 0.000 3.793 755 I HA 0.156 4.330 4.170 0.008 0.000 0.315 755 I C -0.063 175.816 176.117 -0.396 0.000 1.275 755 I CA 0.221 61.265 61.300 -0.426 0.000 1.214 755 I CB 0.089 37.754 38.000 -0.559 0.000 1.018 755 I HN 0.123 nan 8.210 nan 0.000 0.439 756 I N 4.157 124.561 120.570 -0.278 0.000 2.416 756 I HA 0.170 4.345 4.170 0.008 0.000 0.288 756 I C -2.076 173.899 176.117 -0.237 0.000 1.051 756 I CA -1.741 59.404 61.300 -0.259 0.000 1.375 756 I CB 0.661 38.560 38.000 -0.168 0.000 1.407 756 I HN -0.156 nan 8.210 nan 0.000 0.516 757 P HA 0.176 nan 4.420 nan 0.000 0.286 757 P C -0.274 176.999 177.300 -0.045 0.000 1.269 757 P CA -0.200 62.730 63.100 -0.284 0.000 0.787 757 P CB 0.475 32.015 31.700 -0.266 0.000 0.920 758 F N 1.543 121.500 119.950 0.011 0.000 3.090 758 F HA -0.162 4.369 4.527 0.008 0.000 0.282 758 F C -0.899 174.963 175.800 0.103 0.000 0.923 758 F CA -0.331 57.722 58.000 0.090 0.000 0.977 758 F CB -1.795 37.261 39.000 0.094 0.000 0.954 758 F HN 0.350 nan 8.300 nan 0.000 0.695 759 P HA -0.124 nan 4.420 nan 0.000 0.242 759 P C 0.532 177.875 177.300 0.072 0.000 1.198 759 P CA 1.536 64.693 63.100 0.096 0.000 0.756 759 P CB -0.052 31.647 31.700 -0.002 0.000 0.911 760 D N -2.124 118.316 120.400 0.066 0.000 2.463 760 D HA -0.015 4.630 4.640 0.008 0.000 0.224 760 D C 0.580 176.800 176.300 -0.134 0.000 1.174 760 D CA -0.278 53.709 54.000 -0.021 0.000 0.829 760 D CB -0.794 39.920 40.800 -0.143 0.000 0.993 760 D HN 0.285 nan 8.370 nan 0.000 0.497 761 H N -0.337 118.774 119.070 0.069 0.000 2.865 761 H HA 0.297 4.858 4.556 0.008 0.000 0.247 761 H C -0.678 174.666 175.328 0.027 0.000 1.181 761 H CA -0.441 55.621 56.048 0.023 0.000 0.975 761 H CB 0.465 30.203 29.762 -0.040 0.000 1.899 761 H HN 0.034 nan 8.280 nan 0.000 0.651 762 N N 1.212 119.990 118.700 0.130 0.000 2.249 762 N HA 0.062 4.807 4.740 0.008 0.000 0.296 762 N C -0.638 174.902 175.510 0.051 0.000 1.051 762 N CA -0.531 52.579 53.050 0.100 0.000 0.815 762 N CB 2.443 41.018 38.487 0.147 0.000 1.487 762 N HN 0.143 nan 8.380 nan 0.000 0.475 763 Q N 2.042 121.861 119.800 0.030 0.000 2.247 763 Q HA 0.035 4.380 4.340 0.008 0.000 0.288 763 Q C 0.636 176.617 176.000 -0.032 0.000 1.079 763 Q CA 0.370 56.173 55.803 0.000 0.000 0.932 763 Q CB 0.439 29.174 28.738 -0.005 0.000 1.133 763 Q HN 0.723 nan 8.270 nan 0.000 0.377 764 S N 5.322 121.003 115.700 -0.033 0.000 2.433 764 S HA -0.223 4.252 4.470 0.008 0.000 0.276 764 S C -0.904 173.618 174.600 -0.130 0.000 1.122 764 S CA 2.161 60.328 58.200 -0.056 0.000 1.277 764 S CB -0.886 62.289 63.200 -0.041 0.000 1.198 764 S HN 0.850 nan 8.310 nan 0.000 0.440 765 P HA -0.105 nan 4.420 nan 0.000 0.218 765 P C 1.043 177.932 177.300 -0.685 0.000 1.149 765 P CA 1.101 63.947 63.100 -0.423 0.000 0.817 765 P CB -0.126 31.329 31.700 -0.407 0.000 0.785 766 R N -0.321 119.937 120.500 -0.404 0.000 2.193 766 R HA -0.012 4.332 4.340 0.008 0.000 0.229 766 R C 1.920 178.146 176.300 -0.123 0.000 1.110 766 R CA 0.572 56.526 56.100 -0.243 0.000 0.988 766 R CB -1.106 29.192 30.300 -0.004 0.000 0.871 766 R HN 0.304 nan 8.270 nan 0.000 0.458 767 N N -0.153 118.474 118.700 -0.121 0.000 2.216 767 N HA -0.069 4.676 4.740 0.008 0.000 0.183 767 N C 1.400 176.864 175.510 -0.077 0.000 1.017 767 N CA 1.297 54.308 53.050 -0.064 0.000 0.861 767 N CB -0.072 38.387 38.487 -0.045 0.000 0.986 767 N HN 0.130 nan 8.380 nan 0.000 0.428 768 T N 0.460 114.931 114.554 -0.139 0.000 2.857 768 T HA -0.020 4.335 4.350 0.008 0.000 0.266 768 T C 1.719 176.442 174.700 0.038 0.000 1.048 768 T CA 0.771 62.822 62.100 -0.082 0.000 1.139 768 T CB -0.271 68.526 68.868 -0.118 0.000 0.874 768 T HN 0.344 nan 8.240 nan 0.000 0.455 769 Y N 1.254 121.541 120.300 -0.022 0.000 2.089 769 Y HA -0.233 4.322 4.550 0.008 0.000 0.282 769 Y C 3.053 178.929 175.900 -0.041 0.000 1.139 769 Y CA 0.828 58.911 58.100 -0.028 0.000 1.123 769 Y CB -0.304 38.146 38.460 -0.016 0.000 0.980 769 Y HN 0.130 nan 8.280 nan 0.000 0.493 770 Q N 0.911 120.785 119.800 0.124 0.000 2.112 770 Q HA -0.188 4.157 4.340 0.008 0.000 0.206 770 Q C 2.055 178.049 176.000 -0.010 0.000 0.987 770 Q CA 2.345 58.159 55.803 0.019 0.000 0.858 770 Q CB -0.593 28.117 28.738 -0.048 0.000 0.905 770 Q HN 0.270 nan 8.270 nan 0.000 0.420 771 S N -0.165 115.529 115.700 -0.011 0.000 2.399 771 S HA -0.089 4.386 4.470 0.008 0.000 0.231 771 S C 1.795 176.384 174.600 -0.018 0.000 1.022 771 S CA 0.978 59.162 58.200 -0.025 0.000 0.983 771 S CB -0.460 62.721 63.200 -0.032 0.000 0.803 771 S HN 0.611 nan 8.310 nan 0.000 0.480 772 A N 0.650 123.471 122.820 0.002 0.000 2.067 772 A HA 0.194 4.518 4.320 0.008 0.000 0.217 772 A C 1.978 179.537 177.584 -0.043 0.000 1.156 772 A CA 0.721 52.748 52.037 -0.017 0.000 0.683 772 A CB -0.344 18.660 19.000 0.007 0.000 0.808 772 A HN 0.462 nan 8.150 nan 0.000 0.455 773 M N -1.176 118.405 119.600 -0.031 0.000 2.501 773 M HA 0.055 4.539 4.480 0.008 0.000 0.261 773 M C 2.101 178.375 176.300 -0.045 0.000 1.129 773 M CA 0.792 56.062 55.300 -0.051 0.000 1.126 773 M CB -0.075 32.499 32.600 -0.042 0.000 1.359 773 M HN 0.483 nan 8.290 nan 0.000 0.471 774 G N 1.060 109.847 108.800 -0.022 0.000 2.498 774 G HA2 -0.173 3.792 3.960 0.008 0.000 0.219 774 G HA3 -0.173 3.792 3.960 0.008 0.000 0.219 774 G C 1.429 176.341 174.900 0.020 0.000 1.119 774 G CA 0.610 45.720 45.100 0.018 0.000 0.766 774 G HN 0.419 nan 8.290 nan 0.000 0.552 775 K N -0.393 119.987 120.400 -0.034 0.000 2.404 775 K HA 0.154 4.479 4.320 0.008 0.000 0.194 775 K C 1.493 177.989 176.600 -0.173 0.000 1.023 775 K CA 0.155 56.403 56.287 -0.065 0.000 1.094 775 K CB 0.444 32.888 32.500 -0.094 0.000 0.841 775 K HN 0.301 nan 8.250 nan 0.000 0.523 776 Q N -0.098 119.607 119.800 -0.159 0.000 2.149 776 Q HA 0.243 4.588 4.340 0.008 0.000 0.221 776 Q C -0.226 175.690 176.000 -0.141 0.000 0.807 776 Q CA -0.393 55.266 55.803 -0.240 0.000 1.000 776 Q CB 1.411 30.011 28.738 -0.230 0.000 1.157 776 Q HN 0.166 nan 8.270 nan 0.000 0.487 777 A N 0.927 123.715 122.820 -0.052 0.000 2.332 777 A HA 0.486 4.811 4.320 0.008 0.000 0.258 777 A C -0.068 177.536 177.584 0.033 0.000 1.087 777 A CA -0.034 52.004 52.037 0.002 0.000 0.802 777 A CB 0.421 19.467 19.000 0.077 0.000 1.042 777 A HN 0.216 nan 8.150 nan 0.000 0.489 778 M N 0.233 119.861 119.600 0.047 0.000 2.573 778 M HA 0.633 5.118 4.480 0.008 0.000 0.309 778 M C 0.546 176.900 176.300 0.091 0.000 1.202 778 M CA 0.397 55.740 55.300 0.071 0.000 0.975 778 M CB 2.134 34.774 32.600 0.067 0.000 1.600 778 M HN 1.101 nan 8.290 nan 0.000 0.479 779 G N -0.160 108.686 108.800 0.076 0.000 2.343 779 G HA2 0.249 4.213 3.960 0.008 0.000 0.289 779 G HA3 0.249 4.213 3.960 0.008 0.000 0.289 779 G C -1.849 173.057 174.900 0.009 0.000 1.295 779 G CA -1.010 44.109 45.100 0.031 0.000 0.869 779 G HN 0.560 nan 8.290 nan 0.000 0.522 780 V N 1.703 121.569 119.914 -0.081 0.000 2.372 780 V HA 0.365 4.490 4.120 0.008 0.000 0.261 780 V C 1.308 177.341 176.094 -0.102 0.000 1.055 780 V CA 0.285 62.492 62.300 -0.156 0.000 0.930 780 V CB -0.091 31.586 31.823 -0.244 0.000 1.031 780 V HN 0.877 nan 8.190 nan 0.000 0.479 781 F N 3.709 123.602 119.950 -0.096 0.000 2.661 781 F HA 0.537 5.068 4.527 0.007 0.000 0.298 781 F C 0.284 176.095 175.800 0.019 0.000 1.137 781 F CA 0.110 58.106 58.000 -0.007 0.000 1.454 781 F CB 0.087 39.081 39.000 -0.010 0.000 1.103 781 F HN 0.280 nan 8.300 nan 0.000 0.577 782 L N 0.822 121.518 121.223 -0.879 0.000 2.666 782 L HA 0.102 4.447 4.340 0.008 0.000 0.259 782 L C 1.043 177.661 176.870 -0.419 0.000 0.919 782 L CA -0.173 54.291 54.840 -0.626 0.000 0.927 782 L CB 2.032 43.688 42.059 -0.672 0.000 1.423 782 L HN 0.115 nan 8.230 nan 0.000 0.426 783 T N -2.305 112.110 114.554 -0.231 0.000 2.946 783 T HA -0.121 4.234 4.350 0.008 0.000 0.271 783 T C 0.890 175.545 174.700 -0.076 0.000 1.104 783 T CA 1.492 63.545 62.100 -0.077 0.000 1.114 783 T CB -0.406 68.490 68.868 0.046 0.000 0.867 783 T HN 0.659 nan 8.240 nan 0.000 0.513 784 N N 0.818 119.429 118.700 -0.150 0.000 2.380 784 N HA 0.031 4.776 4.740 0.008 0.000 0.255 784 N C 0.969 176.332 175.510 -0.244 0.000 1.158 784 N CA -0.639 52.301 53.050 -0.183 0.000 0.878 784 N CB -0.765 37.652 38.487 -0.117 0.000 1.138 784 N HN 0.716 nan 8.380 nan 0.000 0.509 785 Y N -0.755 119.347 120.300 -0.331 0.000 2.403 785 Y HA 0.033 4.588 4.550 0.007 0.000 0.291 785 Y C 1.717 177.465 175.900 -0.253 0.000 1.143 785 Y CA 0.872 58.808 58.100 -0.273 0.000 1.257 785 Y CB -0.662 37.662 38.460 -0.227 0.000 0.984 785 Y HN 0.066 nan 8.280 nan 0.000 0.550 786 N N 0.647 118.836 118.700 -0.852 0.000 2.409 786 N HA -0.070 4.675 4.740 0.008 0.000 0.179 786 N C 0.948 176.232 175.510 -0.377 0.000 1.032 786 N CA 1.057 53.679 53.050 -0.713 0.000 0.898 786 N CB -0.035 37.998 38.487 -0.756 0.000 0.971 786 N HN 0.293 nan 8.380 nan 0.000 0.441 787 V N 0.126 119.874 119.914 -0.276 0.000 3.647 787 V HA 0.257 4.382 4.120 0.008 0.000 0.279 787 V C 0.235 176.265 176.094 -0.105 0.000 1.314 787 V CA 0.179 62.383 62.300 -0.162 0.000 1.125 787 V CB -0.443 31.306 31.823 -0.124 0.000 0.907 787 V HN 0.137 nan 8.190 nan 0.000 0.434 788 R N 0.907 121.345 120.500 -0.103 0.000 2.387 788 R HA 0.583 4.928 4.340 0.008 0.000 0.314 788 R C -0.551 175.717 176.300 -0.053 0.000 0.958 788 R CA -0.424 55.655 56.100 -0.035 0.000 0.846 788 R CB 1.485 31.809 30.300 0.040 0.000 1.147 788 R HN 0.117 nan 8.270 nan 0.000 0.447 789 M N 4.387 123.970 119.600 -0.029 0.000 2.152 789 M HA 0.207 4.691 4.480 0.008 0.000 0.354 789 M C -1.090 175.194 176.300 -0.026 0.000 1.173 789 M CA -0.609 54.670 55.300 -0.036 0.000 1.110 789 M CB 0.414 33.010 32.600 -0.007 0.000 1.366 789 M HN 0.585 nan 8.290 nan 0.000 0.415 790 D N 0.688 121.052 120.400 -0.060 0.000 2.645 790 D HA 0.315 4.960 4.640 0.008 0.000 0.228 790 D C -0.530 175.693 176.300 -0.128 0.000 1.148 790 D CA -0.640 53.313 54.000 -0.078 0.000 0.860 790 D CB 0.533 41.281 40.800 -0.087 0.000 1.548 790 D HN 0.312 nan 8.370 nan 0.000 0.460 791 T N 0.445 114.922 114.554 -0.128 0.000 2.642 791 T HA 0.224 4.578 4.350 0.008 0.000 0.258 791 T C 0.776 175.369 174.700 -0.178 0.000 1.022 791 T CA -0.240 61.766 62.100 -0.156 0.000 1.266 791 T CB -1.049 67.750 68.868 -0.114 0.000 0.987 791 T HN 0.505 nan 8.240 nan 0.000 0.518 792 M N 0.398 119.865 119.600 -0.223 0.000 4.047 792 M HA -0.125 4.360 4.480 0.008 0.000 0.157 792 M C -0.268 175.908 176.300 -0.206 0.000 1.532 792 M CA 0.557 55.718 55.300 -0.231 0.000 1.097 792 M CB -1.109 31.474 32.600 -0.029 0.000 1.346 792 M HN 0.991 nan 8.290 nan 0.000 0.190 793 A N 4.163 126.897 122.820 -0.144 0.000 2.488 793 A HA 0.764 5.089 4.320 0.008 0.000 0.295 793 A C -0.983 176.670 177.584 0.116 0.000 1.045 793 A CA -0.836 51.145 52.037 -0.093 0.000 0.703 793 A CB 1.470 20.472 19.000 0.003 0.000 1.271 793 A HN 0.745 nan 8.150 nan 0.000 0.400 794 N N 1.533 120.282 118.700 0.082 0.000 2.417 794 N HA 0.599 5.344 4.740 0.008 0.000 0.274 794 N C -1.533 174.046 175.510 0.115 0.000 0.987 794 N CA -0.164 52.981 53.050 0.157 0.000 0.912 794 N CB 1.746 40.318 38.487 0.142 0.000 1.177 794 N HN 0.498 nan 8.380 nan 0.000 0.490 795 I N 2.125 122.749 120.570 0.090 0.000 2.608 795 I HA 0.315 4.490 4.170 0.008 0.000 0.295 795 I C -0.355 175.773 176.117 0.018 0.000 1.049 795 I CA -0.649 60.632 61.300 -0.032 0.000 1.063 795 I CB 1.928 39.722 38.000 -0.343 0.000 1.248 795 I HN 0.279 nan 8.210 nan 0.000 0.424 796 L N 5.559 126.792 121.223 0.017 0.000 2.349 796 L HA 0.217 4.561 4.340 0.008 0.000 0.275 796 L C 0.530 177.445 176.870 0.075 0.000 1.115 796 L CA 0.473 55.376 54.840 0.106 0.000 0.820 796 L CB 0.382 42.508 42.059 0.111 0.000 1.135 796 L HN 0.496 nan 8.230 nan 0.000 0.445 797 Y N 3.493 123.758 120.300 -0.058 0.000 2.145 797 Y HA -0.168 4.386 4.550 0.007 0.000 0.286 797 Y C 0.288 175.887 175.900 -0.502 0.000 1.145 797 Y CA 1.705 59.651 58.100 -0.258 0.000 1.148 797 Y CB -0.109 38.253 38.460 -0.162 0.000 0.981 797 Y HN 0.479 nan 8.280 nan 0.000 0.507 798 Y N -0.684 119.714 120.300 0.165 0.000 2.584 798 Y HA 0.367 4.922 4.550 0.007 0.000 0.358 798 Y C -2.448 173.461 175.900 0.015 0.000 1.028 798 Y CA -3.063 55.075 58.100 0.063 0.000 1.148 798 Y CB 0.288 38.773 38.460 0.041 0.000 1.126 798 Y HN -0.112 nan 8.280 nan 0.000 0.658 799 P HA 0.056 nan 4.420 nan 0.000 0.266 799 P C -0.532 176.814 177.300 0.076 0.000 1.195 799 P CA 0.267 63.404 63.100 0.062 0.000 0.768 799 P CB 0.693 32.389 31.700 -0.007 0.000 0.838 800 Q N 1.583 121.450 119.800 0.112 0.000 2.356 800 Q HA 0.257 4.602 4.340 0.008 0.000 0.270 800 Q C -0.295 175.847 176.000 0.237 0.000 1.058 800 Q CA -1.106 54.782 55.803 0.142 0.000 0.802 800 Q CB 2.252 31.064 28.738 0.124 0.000 1.303 800 Q HN 0.378 nan 8.270 nan 0.000 0.444 801 K N 1.765 122.242 120.400 0.127 0.000 2.326 801 K HA 0.365 4.689 4.320 0.008 0.000 0.275 801 K C -2.391 174.263 176.600 0.089 0.000 1.018 801 K CA -1.466 54.871 56.287 0.085 0.000 0.962 801 K CB 0.288 32.801 32.500 0.022 0.000 0.953 801 K HN 0.190 nan 8.250 nan 0.000 0.475 802 P HA -0.004 nan 4.420 nan 0.000 0.271 802 P C 0.522 177.760 177.300 -0.103 0.000 1.216 802 P CA -0.187 62.743 63.100 -0.282 0.000 0.771 802 P CB 0.816 31.983 31.700 -0.888 0.000 0.864 803 L N 1.657 122.877 121.223 -0.005 0.000 2.265 803 L HA -0.029 4.316 4.340 0.008 0.000 0.215 803 L C 1.557 178.381 176.870 -0.078 0.000 1.117 803 L CA 1.327 56.151 54.840 -0.026 0.000 0.782 803 L CB -0.681 41.378 42.059 0.001 0.000 0.914 803 L HN 0.527 nan 8.230 nan 0.000 0.441 804 G N 0.120 108.850 108.800 -0.118 0.000 2.547 804 G HA2 0.432 4.397 3.960 0.008 0.000 0.327 804 G HA3 0.432 4.397 3.960 0.008 0.000 0.327 804 G C -0.009 174.722 174.900 -0.281 0.000 1.118 804 G CA -0.186 44.807 45.100 -0.179 0.000 1.022 804 G HN 0.087 nan 8.290 nan 0.000 0.464 805 T N -0.827 113.562 114.554 -0.276 0.000 2.910 805 T HA 0.793 5.148 4.350 0.008 0.000 0.279 805 T C -0.030 174.460 174.700 -0.350 0.000 0.989 805 T CA -0.656 61.258 62.100 -0.311 0.000 0.968 805 T CB 2.121 70.843 68.868 -0.243 0.000 1.135 805 T HN 0.210 nan 8.240 nan 0.000 0.562 806 T N 1.072 115.419 114.554 -0.344 0.000 2.881 806 T HA 0.410 4.764 4.350 0.008 0.000 0.290 806 T C 0.845 175.323 174.700 -0.371 0.000 1.000 806 T CA -0.850 61.044 62.100 -0.344 0.000 0.978 806 T CB 1.750 70.434 68.868 -0.306 0.000 0.997 806 T HN 0.448 nan 8.240 nan 0.000 0.443 807 R N 1.622 121.818 120.500 -0.506 0.000 2.397 807 R HA 0.007 4.352 4.340 0.008 0.000 0.213 807 R C 1.331 177.245 176.300 -0.642 0.000 1.102 807 R CA 0.337 55.951 56.100 -0.810 0.000 1.040 807 R CB -0.718 28.650 30.300 -1.553 0.000 0.844 807 R HN 0.701 nan 8.270 nan 0.000 0.478 808 A N -1.197 121.466 122.820 -0.262 0.000 2.470 808 A HA 0.211 4.536 4.320 0.008 0.000 0.251 808 A C 1.632 179.201 177.584 -0.025 0.000 1.245 808 A CA -0.305 51.785 52.037 0.089 0.000 0.932 808 A CB 0.185 19.288 19.000 0.173 0.000 1.037 808 A HN 0.129 nan 8.150 nan 0.000 0.522 809 M N -0.866 118.630 119.600 -0.174 0.000 2.476 809 M HA 0.013 4.497 4.480 0.008 0.000 0.262 809 M C 1.827 178.026 176.300 -0.167 0.000 1.111 809 M CA 0.952 56.166 55.300 -0.143 0.000 1.127 809 M CB 0.029 32.519 32.600 -0.185 0.000 1.376 809 M HN 0.637 nan 8.290 nan 0.000 0.465 810 E N 0.437 120.415 120.200 -0.370 0.000 2.153 810 E HA -0.202 4.152 4.350 0.008 0.000 0.194 810 E C 1.196 177.444 176.600 -0.587 0.000 0.988 810 E CA 1.524 57.614 56.400 -0.516 0.000 0.811 810 E CB 0.114 29.372 29.700 -0.736 0.000 0.746 810 E HN 0.599 nan 8.360 nan 0.000 0.466 811 Y N -0.402 119.828 120.300 -0.117 0.000 2.476 811 Y HA 0.128 4.683 4.550 0.008 0.000 0.283 811 Y C 1.708 177.530 175.900 -0.130 0.000 1.109 811 Y CA 0.169 58.136 58.100 -0.223 0.000 1.246 811 Y CB 0.243 38.290 38.460 -0.688 0.000 1.068 811 Y HN -0.020 nan 8.280 nan 0.000 0.552 812 L N 0.613 121.851 121.223 0.025 0.000 2.645 812 L HA 0.008 4.353 4.340 0.008 0.000 0.235 812 L C 0.426 177.469 176.870 0.288 0.000 1.150 812 L CA 0.296 55.216 54.840 0.133 0.000 0.911 812 L CB -0.274 41.848 42.059 0.106 0.000 1.077 812 L HN 0.154 nan 8.230 nan 0.000 0.438 813 K N -1.463 119.054 120.400 0.194 0.000 2.971 813 K HA -0.292 4.033 4.320 0.008 0.000 0.265 813 K C 0.944 177.594 176.600 0.082 0.000 1.052 813 K CA 0.856 57.239 56.287 0.160 0.000 0.780 813 K CB -2.330 30.301 32.500 0.218 0.000 1.214 813 K HN 0.268 nan 8.250 nan 0.000 0.478 814 F N 1.693 121.645 119.950 0.004 0.000 2.065 814 F HA -0.216 4.316 4.527 0.008 0.000 0.298 814 F C 2.327 178.077 175.800 -0.084 0.000 1.112 814 F CA 1.881 59.862 58.000 -0.032 0.000 1.212 814 F CB 0.014 38.968 39.000 -0.076 0.000 0.975 814 F HN 0.102 nan 8.300 nan 0.000 0.476 815 R N -0.153 120.395 120.500 0.079 0.000 2.200 815 R HA -0.170 4.175 4.340 0.008 0.000 0.234 815 R C 1.660 177.903 176.300 -0.094 0.000 1.127 815 R CA 1.514 57.611 56.100 -0.007 0.000 0.989 815 R CB -0.490 29.806 30.300 -0.007 0.000 0.869 815 R HN 0.340 nan 8.270 nan 0.000 0.459 816 E N 0.124 120.244 120.200 -0.133 0.000 2.190 816 E HA 0.086 4.441 4.350 0.008 0.000 0.191 816 E C 0.463 176.807 176.600 -0.427 0.000 0.978 816 E CA 0.663 56.945 56.400 -0.196 0.000 0.839 816 E CB 0.408 30.083 29.700 -0.042 0.000 0.787 816 E HN 0.157 nan 8.360 nan 0.000 0.473 817 L N 1.699 122.616 121.223 -0.509 0.000 2.783 817 L HA 0.322 4.666 4.340 0.008 0.000 0.265 817 L C -2.402 174.164 176.870 -0.507 0.000 1.398 817 L CA -1.612 52.906 54.840 -0.537 0.000 0.802 817 L CB 1.004 42.640 42.059 -0.706 0.000 1.126 817 L HN -0.095 nan 8.230 nan 0.000 0.529 818 P HA 0.072 nan 4.420 nan 0.000 0.268 818 P C -0.459 176.649 177.300 -0.320 0.000 1.208 818 P CA -0.062 62.676 63.100 -0.603 0.000 0.777 818 P CB 1.442 33.030 31.700 -0.186 0.000 0.875 819 A N 1.552 124.253 122.820 -0.199 0.000 2.763 819 A HA 0.699 5.023 4.320 0.008 0.000 0.325 819 A C 0.083 177.858 177.584 0.318 0.000 1.209 819 A CA -0.001 52.088 52.037 0.085 0.000 0.764 819 A CB 0.090 19.145 19.000 0.090 0.000 1.120 819 A HN 0.847 nan 8.150 nan 0.000 0.463 820 G N 0.387 109.314 108.800 0.211 0.000 2.333 820 G HA2 0.372 4.337 3.960 0.008 0.000 0.330 820 G HA3 0.372 4.337 3.960 0.008 0.000 0.330 820 G C -1.365 173.336 174.900 -0.332 0.000 1.465 820 G CA -0.834 44.219 45.100 -0.079 0.000 0.996 820 G HN 0.713 nan 8.290 nan 0.000 0.655 821 Q N -0.662 118.898 119.800 -0.400 0.000 2.351 821 Q HA 0.496 4.841 4.340 0.008 0.000 0.273 821 Q C -0.448 175.329 176.000 -0.371 0.000 1.077 821 Q CA -1.044 54.511 55.803 -0.414 0.000 0.843 821 Q CB 1.636 29.896 28.738 -0.795 0.000 1.367 821 Q HN 0.400 nan 8.270 nan 0.000 0.449 822 N N 1.080 119.692 118.700 -0.146 0.000 3.083 822 N HA 0.282 5.027 4.740 0.008 0.000 0.260 822 N C -1.354 174.097 175.510 -0.098 0.000 1.163 822 N CA 0.046 53.092 53.050 -0.007 0.000 1.060 822 N CB 0.783 39.326 38.487 0.093 0.000 1.345 822 N HN 0.533 nan 8.380 nan 0.000 0.515 823 A N 2.115 124.856 122.820 -0.132 0.000 2.371 823 A HA 0.358 4.683 4.320 0.008 0.000 0.257 823 A C 0.474 177.943 177.584 -0.190 0.000 1.089 823 A CA -0.384 51.541 52.037 -0.187 0.000 0.794 823 A CB 0.506 19.382 19.000 -0.206 0.000 1.029 823 A HN 0.407 nan 8.150 nan 0.000 0.488 824 I N 3.346 123.787 120.570 -0.215 0.000 2.347 824 I HA 0.155 4.329 4.170 0.008 0.000 0.294 824 I C 0.005 175.846 176.117 -0.459 0.000 1.090 824 I CA 0.289 61.408 61.300 -0.303 0.000 1.314 824 I CB -0.137 37.746 38.000 -0.195 0.000 1.423 824 I HN 0.217 nan 8.210 nan 0.000 0.503 825 V N 5.708 125.319 119.914 -0.505 0.000 2.612 825 V HA 0.769 4.894 4.120 0.008 0.000 0.301 825 V C 0.395 176.125 176.094 -0.606 0.000 1.046 825 V CA -0.723 61.291 62.300 -0.477 0.000 0.946 825 V CB 1.880 33.517 31.823 -0.309 0.000 1.003 825 V HN 0.842 nan 8.190 nan 0.000 0.459 826 A N 4.627 127.206 122.820 -0.402 0.000 2.357 826 A HA 0.744 5.069 4.320 0.008 0.000 0.295 826 A C -0.721 176.817 177.584 -0.078 0.000 1.121 826 A CA -0.487 51.400 52.037 -0.250 0.000 0.742 826 A CB 0.655 19.579 19.000 -0.127 0.000 1.181 826 A HN 0.753 nan 8.150 nan 0.000 0.454 827 I N 2.670 123.245 120.570 0.007 0.000 2.294 827 I HA 0.462 4.637 4.170 0.008 0.000 0.295 827 I C 0.532 176.657 176.117 0.014 0.000 1.098 827 I CA 0.474 61.779 61.300 0.008 0.000 1.277 827 I CB 0.547 38.549 38.000 0.002 0.000 1.434 827 I HN 0.747 nan 8.210 nan 0.000 0.498 828 A N 5.162 127.990 122.820 0.013 0.000 2.594 828 A HA 0.446 4.771 4.320 0.008 0.000 0.296 828 A C -1.068 176.559 177.584 0.072 0.000 1.061 828 A CA -0.494 51.565 52.037 0.037 0.000 0.689 828 A CB 1.099 20.127 19.000 0.047 0.000 1.280 828 A HN 0.592 nan 8.150 nan 0.000 0.406 829 C N 2.673 122.019 119.300 0.077 0.000 2.520 829 C HA 0.479 4.943 4.460 0.008 0.000 0.369 829 C C 0.637 175.763 174.990 0.228 0.000 1.244 829 C CA 0.328 59.414 59.018 0.113 0.000 1.677 829 C CB -1.915 25.862 27.740 0.062 0.000 2.324 829 C HN 0.792 nan 8.230 nan 0.000 0.557 830 Y N 2.423 122.765 120.300 0.071 0.000 3.056 830 Y HA 0.194 4.749 4.550 0.007 0.000 0.294 830 Y C 2.293 178.272 175.900 0.132 0.000 1.275 830 Y CA 0.692 58.842 58.100 0.084 0.000 1.148 830 Y CB -0.533 38.000 38.460 0.122 0.000 1.085 830 Y HN 0.525 nan 8.280 nan 0.000 0.747 831 S N 0.204 115.995 115.700 0.152 0.000 2.584 831 S HA 0.068 4.543 4.470 0.008 0.000 0.240 831 S C 1.471 176.252 174.600 0.301 0.000 0.975 831 S CA 0.881 59.194 58.200 0.189 0.000 0.949 831 S CB -1.091 62.397 63.200 0.479 0.000 0.761 831 S HN 1.327 nan 8.310 nan 0.000 0.536 832 G N -0.113 108.822 108.800 0.226 0.000 2.143 832 G HA2 -0.306 3.659 3.960 0.008 0.000 0.248 832 G HA3 -0.306 3.659 3.960 0.008 0.000 0.248 832 G C -0.020 174.906 174.900 0.044 0.000 0.991 832 G CA 0.372 45.542 45.100 0.116 0.000 0.689 832 G HN 0.617 nan 8.290 nan 0.000 0.522 833 Y N 1.000 121.347 120.300 0.079 0.000 2.811 833 Y HA 0.390 4.944 4.550 0.008 0.000 0.330 833 Y C 1.102 177.012 175.900 0.016 0.000 1.081 833 Y CA -0.115 58.005 58.100 0.034 0.000 1.408 833 Y CB 0.419 38.876 38.460 -0.004 0.000 1.235 833 Y HN 0.468 nan 8.280 nan 0.000 0.529 834 N N -1.554 117.217 118.700 0.117 0.000 2.581 834 N HA 0.094 4.838 4.740 0.008 0.000 0.274 834 N C -0.813 174.738 175.510 0.069 0.000 1.629 834 N CA -0.290 52.813 53.050 0.088 0.000 0.884 834 N CB -0.378 38.166 38.487 0.096 0.000 1.423 834 N HN 0.206 nan 8.380 nan 0.000 0.507 835 Q N 0.222 120.047 119.800 0.042 0.000 2.166 835 Q HA 0.372 4.717 4.340 0.008 0.000 0.226 835 Q C -0.234 175.781 176.000 0.024 0.000 0.989 835 Q CA -0.606 55.221 55.803 0.039 0.000 0.966 835 Q CB 0.726 29.469 28.738 0.009 0.000 1.173 835 Q HN 0.132 nan 8.270 nan 0.000 0.509 836 E N 2.039 122.249 120.200 0.017 0.000 2.122 836 E HA -0.307 4.048 4.350 0.008 0.000 0.198 836 E C -0.952 175.656 176.600 0.013 0.000 1.352 836 E CA 1.357 57.760 56.400 0.004 0.000 0.705 836 E CB -1.460 28.230 29.700 -0.015 0.000 1.084 836 E HN 0.735 nan 8.360 nan 0.000 0.337 837 D N -2.394 118.025 120.400 0.032 0.000 3.090 837 D HA -0.157 4.487 4.640 0.008 0.000 0.215 837 D C -0.157 176.172 176.300 0.048 0.000 1.140 837 D CA 1.422 55.447 54.000 0.040 0.000 0.937 837 D CB -1.628 39.187 40.800 0.025 0.000 1.108 837 D HN 0.501 nan 8.370 nan 0.000 0.420 838 S N -0.038 115.689 115.700 0.045 0.000 2.541 838 S HA 0.717 5.191 4.470 0.008 0.000 0.283 838 S C 0.405 175.041 174.600 0.059 0.000 1.196 838 S CA -0.937 57.293 58.200 0.051 0.000 1.062 838 S CB 2.410 65.633 63.200 0.039 0.000 1.009 838 S HN 0.306 nan 8.310 nan 0.000 0.502 839 M N 1.525 121.161 119.600 0.060 0.000 2.598 839 M HA 0.626 5.111 4.480 0.008 0.000 0.317 839 M C -1.377 174.919 176.300 -0.006 0.000 1.179 839 M CA -0.873 54.446 55.300 0.030 0.000 0.936 839 M CB 1.180 33.792 32.600 0.020 0.000 1.713 839 M HN 0.510 nan 8.290 nan 0.000 0.460 840 I N 2.841 123.394 120.570 -0.028 0.000 2.331 840 I HA 0.417 4.591 4.170 0.008 0.000 0.292 840 I C -0.504 175.555 176.117 -0.097 0.000 0.998 840 I CA -0.309 60.948 61.300 -0.073 0.000 1.267 840 I CB 1.599 39.589 38.000 -0.017 0.000 1.386 840 I HN 0.769 nan 8.210 nan 0.000 0.476 841 M N 5.941 125.471 119.600 -0.116 0.000 2.456 841 M HA 0.351 4.836 4.480 0.008 0.000 0.324 841 M C -0.357 175.910 176.300 -0.054 0.000 1.124 841 M CA -0.691 54.540 55.300 -0.114 0.000 0.959 841 M CB 1.639 34.149 32.600 -0.150 0.000 1.692 841 M HN 0.453 nan 8.290 nan 0.000 0.444 842 N N 2.812 121.490 118.700 -0.037 0.000 2.406 842 N HA -0.048 4.697 4.740 0.008 0.000 0.274 842 N C 0.566 176.081 175.510 0.007 0.000 1.249 842 N CA 0.296 53.352 53.050 0.011 0.000 0.951 842 N CB 0.745 39.228 38.487 -0.006 0.000 1.241 842 N HN 0.661 nan 8.380 nan 0.000 0.485 843 Q N 2.321 122.141 119.800 0.033 0.000 2.234 843 Q HA -0.128 4.216 4.340 0.008 0.000 0.206 843 Q C 1.130 177.138 176.000 0.014 0.000 0.980 843 Q CA 1.650 57.468 55.803 0.024 0.000 0.869 843 Q CB -0.083 28.680 28.738 0.042 0.000 0.912 843 Q HN 0.664 nan 8.270 nan 0.000 0.436 844 S N -0.244 115.467 115.700 0.019 0.000 2.345 844 S HA -0.149 4.326 4.470 0.008 0.000 0.220 844 S C 1.882 176.471 174.600 -0.018 0.000 1.031 844 S CA 1.309 59.512 58.200 0.004 0.000 0.996 844 S CB -0.572 62.636 63.200 0.012 0.000 0.882 844 S HN 0.727 nan 8.310 nan 0.000 0.445 845 S N 1.545 117.229 115.700 -0.028 0.000 2.469 845 S HA 0.045 4.519 4.470 0.008 0.000 0.238 845 S C 1.699 176.263 174.600 -0.060 0.000 0.998 845 S CA 0.595 58.760 58.200 -0.057 0.000 0.957 845 S CB -0.703 62.452 63.200 -0.076 0.000 0.764 845 S HN 0.452 nan 8.310 nan 0.000 0.514 846 I N 1.978 122.528 120.570 -0.034 0.000 2.233 846 I HA -0.126 4.049 4.170 0.008 0.000 0.243 846 I C 2.083 178.181 176.117 -0.031 0.000 1.093 846 I CA 1.463 62.751 61.300 -0.020 0.000 1.380 846 I CB -0.588 37.414 38.000 0.004 0.000 1.067 846 I HN 0.199 nan 8.210 nan 0.000 0.413 847 D N 1.034 121.419 120.400 -0.025 0.000 2.158 847 D HA -0.173 4.471 4.640 0.008 0.000 0.197 847 D C 2.101 178.378 176.300 -0.038 0.000 0.995 847 D CA 1.149 55.134 54.000 -0.025 0.000 0.846 847 D CB -0.217 40.574 40.800 -0.016 0.000 0.941 847 D HN 0.275 nan 8.370 nan 0.000 0.456 848 R N -0.754 119.714 120.500 -0.054 0.000 2.323 848 R HA 0.204 4.548 4.340 0.008 0.000 0.198 848 R C 1.246 177.479 176.300 -0.112 0.000 0.988 848 R CA 0.739 56.791 56.100 -0.079 0.000 1.041 848 R CB 0.395 30.640 30.300 -0.092 0.000 0.926 848 R HN 0.269 nan 8.270 nan 0.000 0.476 849 G N 1.012 109.760 108.800 -0.086 0.000 2.211 849 G HA2 -0.229 3.735 3.960 0.008 0.000 0.201 849 G HA3 -0.229 3.735 3.960 0.008 0.000 0.201 849 G C -0.002 174.864 174.900 -0.057 0.000 0.997 849 G CA -0.390 44.669 45.100 -0.068 0.000 0.652 849 G HN 0.230 nan 8.290 nan 0.000 0.500 850 L N 1.526 122.683 121.223 -0.110 0.000 2.640 850 L HA 0.504 4.848 4.340 0.008 0.000 0.280 850 L C 1.024 177.882 176.870 -0.021 0.000 1.229 850 L CA 0.928 55.659 54.840 -0.181 0.000 0.919 850 L CB -0.658 41.281 42.059 -0.200 0.000 1.168 850 L HN 0.614 nan 8.230 nan 0.000 0.496 851 F N 3.239 123.212 119.950 0.038 0.000 3.027 851 F HA -0.289 4.242 4.527 0.007 0.000 0.276 851 F C 0.867 176.713 175.800 0.078 0.000 0.967 851 F CA 0.434 58.497 58.000 0.105 0.000 0.929 851 F CB -0.908 38.208 39.000 0.194 0.000 0.873 851 F HN 0.597 nan 8.300 nan 0.000 0.787 852 R N 0.421 121.007 120.500 0.145 0.000 2.598 852 R HA 0.761 5.105 4.340 0.008 0.000 0.279 852 R C 0.112 176.486 176.300 0.123 0.000 0.984 852 R CA -0.045 56.022 56.100 -0.055 0.000 0.999 852 R CB 2.064 32.012 30.300 -0.587 0.000 1.114 852 R HN 0.247 nan 8.270 nan 0.000 0.493 853 S N 1.352 117.152 115.700 0.167 0.000 2.607 853 S HA 0.544 5.019 4.470 0.008 0.000 0.273 853 S C -0.743 174.033 174.600 0.293 0.000 1.148 853 S CA -0.993 57.388 58.200 0.301 0.000 0.833 853 S CB 1.234 64.536 63.200 0.169 0.000 1.130 853 S HN 0.364 nan 8.310 nan 0.000 0.470 854 L N 1.265 122.597 121.223 0.182 0.000 2.358 854 L HA 0.730 5.075 4.340 0.008 0.000 0.268 854 L C -1.016 175.824 176.870 -0.049 0.000 1.032 854 L CA -0.861 53.959 54.840 -0.032 0.000 0.805 854 L CB 1.204 43.123 42.059 -0.234 0.000 1.253 854 L HN 0.788 nan 8.230 nan 0.000 0.452 855 F N 1.980 121.686 119.950 -0.407 0.000 2.828 855 F HA 0.504 5.035 4.527 0.006 0.000 0.355 855 F C -1.445 174.169 175.800 -0.311 0.000 1.200 855 F CA -0.829 57.029 58.000 -0.237 0.000 1.062 855 F CB 0.687 39.615 39.000 -0.119 0.000 1.351 855 F HN 0.053 nan 8.300 nan 0.000 0.504 856 F N 5.009 124.630 119.950 -0.549 0.000 2.404 856 F HA 0.648 5.180 4.527 0.008 0.000 0.339 856 F C 0.261 175.570 175.800 -0.819 0.000 1.105 856 F CA -0.664 57.027 58.000 -0.514 0.000 1.087 856 F CB 1.454 40.329 39.000 -0.209 0.000 1.143 856 F HN 0.380 nan 8.300 nan 0.000 0.491 857 R N 1.383 121.616 120.500 -0.445 0.000 2.514 857 R HA 0.487 4.832 4.340 0.008 0.000 0.296 857 R C -1.530 174.580 176.300 -0.317 0.000 1.012 857 R CA -0.511 55.309 56.100 -0.467 0.000 0.897 857 R CB 1.671 31.678 30.300 -0.488 0.000 1.184 857 R HN 0.821 nan 8.270 nan 0.000 0.440 858 S N 3.407 118.927 115.700 -0.300 0.000 2.456 858 S HA 0.455 4.930 4.470 0.008 0.000 0.316 858 S C -0.774 173.688 174.600 -0.228 0.000 1.089 858 S CA -0.777 57.322 58.200 -0.169 0.000 1.101 858 S CB 0.725 63.876 63.200 -0.082 0.000 0.995 858 S HN 0.388 nan 8.310 nan 0.000 0.468 859 Y N 2.390 122.655 120.300 -0.058 0.000 2.354 859 Y HA 0.701 5.256 4.550 0.010 0.000 0.322 859 Y C 0.472 176.311 175.900 -0.103 0.000 1.253 859 Y CA -1.231 56.833 58.100 -0.060 0.000 1.272 859 Y CB 0.950 39.380 38.460 -0.049 0.000 1.255 859 Y HN 0.649 nan 8.280 nan 0.000 0.500 860 M N 1.823 121.448 119.600 0.040 0.000 2.569 860 M HA 0.472 4.956 4.480 0.008 0.000 0.279 860 M C -2.424 173.817 176.300 -0.098 0.000 1.253 860 M CA -0.336 54.886 55.300 -0.130 0.000 0.867 860 M CB 2.941 35.404 32.600 -0.229 0.000 1.727 860 M HN 0.839 nan 8.290 nan 0.000 0.467 861 D N 0.838 121.133 120.400 -0.176 0.000 2.639 861 D HA 0.488 5.133 4.640 0.008 0.000 0.271 861 D C -1.673 174.692 176.300 0.108 0.000 1.254 861 D CA 0.024 54.041 54.000 0.028 0.000 0.810 861 D CB 2.307 43.219 40.800 0.187 0.000 1.351 861 D HN 0.761 nan 8.370 nan 0.000 0.427 862 Q N -0.051 119.851 119.800 0.171 0.000 3.146 862 Q HA 0.540 4.884 4.340 0.008 0.000 0.318 862 Q C -0.882 175.079 176.000 -0.067 0.000 0.992 862 Q CA -0.819 55.093 55.803 0.181 0.000 0.809 862 Q CB 2.073 30.941 28.738 0.216 0.000 1.490 862 Q HN 0.224 nan 8.270 nan 0.000 0.493 863 E N 1.497 121.647 120.200 -0.083 0.000 2.218 863 E HA 0.230 4.585 4.350 0.008 0.000 0.263 863 E C -1.099 175.453 176.600 -0.080 0.000 0.879 863 E CA -0.460 55.826 56.400 -0.190 0.000 0.762 863 E CB 2.012 31.568 29.700 -0.241 0.000 1.166 863 E HN 0.596 nan 8.360 nan 0.000 0.415 864 K N 2.421 122.774 120.400 -0.077 0.000 2.403 864 K HA -0.325 4.000 4.320 0.008 0.000 0.203 864 K C -0.671 175.920 176.600 -0.015 0.000 1.500 864 K CA 1.159 57.426 56.287 -0.033 0.000 0.779 864 K CB -0.239 32.248 32.500 -0.021 0.000 0.682 864 K HN 0.514 nan 8.250 nan 0.000 0.958 865 K N -2.457 117.946 120.400 0.005 0.000 2.303 865 K HA 0.187 4.512 4.320 0.008 0.000 0.258 865 K C -0.849 175.811 176.600 0.099 0.000 0.846 865 K CA -0.498 55.785 56.287 -0.007 0.000 0.686 865 K CB 0.558 33.040 32.500 -0.030 0.000 1.425 865 K HN 0.471 nan 8.250 nan 0.000 0.345 866 Y N 1.342 121.646 120.300 0.007 0.000 2.547 866 Y HA 0.087 4.642 4.550 0.008 0.000 0.338 866 Y C 0.567 176.469 175.900 0.003 0.000 1.239 866 Y CA -0.532 57.572 58.100 0.006 0.000 1.897 866 Y CB -0.068 38.397 38.460 0.007 0.000 1.808 866 Y HN 0.385 nan 8.280 nan 0.000 0.428 867 G N 3.936 112.828 108.800 0.153 0.000 2.683 867 G HA2 0.318 4.282 3.960 0.008 0.000 0.299 867 G HA3 0.318 4.282 3.960 0.008 0.000 0.299 867 G C -0.909 174.017 174.900 0.045 0.000 1.432 867 G CA -0.930 44.215 45.100 0.076 0.000 0.978 867 G HN 0.454 nan 8.290 nan 0.000 0.513 868 M N 3.535 123.148 119.600 0.022 0.000 2.513 868 M HA 0.191 4.675 4.480 0.008 0.000 0.341 868 M C 1.181 177.487 176.300 0.010 0.000 1.689 868 M CA 0.942 56.247 55.300 0.007 0.000 1.202 868 M CB -0.071 32.527 32.600 -0.004 0.000 1.996 868 M HN 1.376 nan 8.290 nan 0.000 0.458 869 S N 3.270 118.977 115.700 0.011 0.000 3.473 869 S HA -0.177 4.297 4.470 0.008 0.000 0.339 869 S C -0.298 174.306 174.600 0.008 0.000 1.148 869 S CA 1.110 59.315 58.200 0.008 0.000 0.969 869 S CB -2.663 60.539 63.200 0.004 0.000 0.936 869 S HN 0.808 nan 8.310 nan 0.000 0.530 870 I N 1.483 122.060 120.570 0.012 0.000 2.502 870 I HA 0.353 4.528 4.170 0.008 0.000 0.276 870 I C 0.009 176.130 176.117 0.006 0.000 1.057 870 I CA -0.224 61.081 61.300 0.009 0.000 1.163 870 I CB 1.521 39.529 38.000 0.014 0.000 1.288 870 I HN 0.187 nan 8.210 nan 0.000 0.479 871 T N 3.768 118.318 114.554 -0.006 0.000 2.887 871 T HA 0.384 4.738 4.350 0.008 0.000 0.288 871 T C -0.119 174.553 174.700 -0.047 0.000 1.021 871 T CA -0.737 61.350 62.100 -0.022 0.000 1.000 871 T CB 1.991 70.847 68.868 -0.020 0.000 1.034 871 T HN 0.370 nan 8.240 nan 0.000 0.467 872 E N 1.037 121.189 120.200 -0.080 0.000 2.371 872 E HA 0.535 4.890 4.350 0.008 0.000 0.257 872 E C -0.471 176.023 176.600 -0.177 0.000 1.134 872 E CA -0.492 55.835 56.400 -0.122 0.000 0.919 872 E CB 0.751 30.357 29.700 -0.157 0.000 1.025 872 E HN 0.434 nan 8.360 nan 0.000 0.438 873 T N 1.130 115.573 114.554 -0.184 0.000 2.993 873 T HA 0.273 4.627 4.350 0.008 0.000 0.312 873 T C -0.966 173.670 174.700 -0.107 0.000 1.115 873 T CA -0.684 61.316 62.100 -0.166 0.000 1.027 873 T CB 0.465 69.305 68.868 -0.048 0.000 1.116 873 T HN 0.261 nan 8.240 nan 0.000 0.464 874 F N 3.727 123.691 119.950 0.023 0.000 2.439 874 F HA 0.390 4.921 4.527 0.008 0.000 0.356 874 F C 1.112 176.926 175.800 0.023 0.000 1.161 874 F CA -0.379 57.634 58.000 0.021 0.000 1.151 874 F CB 0.368 39.378 39.000 0.017 0.000 1.222 874 F HN 0.557 nan 8.300 nan 0.000 0.558 875 E N 2.119 122.449 120.200 0.216 0.000 2.375 875 E HA 0.211 4.566 4.350 0.008 0.000 0.280 875 E C -1.547 175.124 176.600 0.118 0.000 0.972 875 E CA -1.345 55.133 56.400 0.131 0.000 0.782 875 E CB 1.544 31.295 29.700 0.084 0.000 1.229 875 E HN 0.310 nan 8.360 nan 0.000 0.439 876 K N 3.325 123.781 120.400 0.094 0.000 2.315 876 K HA 0.194 4.519 4.320 0.008 0.000 0.291 876 K C -1.856 174.765 176.600 0.036 0.000 1.074 876 K CA -1.412 54.938 56.287 0.104 0.000 0.936 876 K CB 0.368 32.922 32.500 0.089 0.000 1.049 876 K HN 0.389 nan 8.250 nan 0.000 0.471 877 P HA -0.010 nan 4.420 nan 0.000 0.275 877 P C -1.177 176.034 177.300 -0.149 0.000 1.270 877 P CA -0.028 63.027 63.100 -0.075 0.000 0.791 877 P CB 0.535 32.184 31.700 -0.086 0.000 1.089 878 Q N -0.109 119.613 119.800 -0.130 0.000 4.082 878 Q HA 0.193 4.537 4.340 0.008 0.000 0.180 878 Q C -0.130 175.809 176.000 -0.103 0.000 0.863 878 Q CA -0.695 55.031 55.803 -0.128 0.000 0.772 878 Q CB 1.179 29.869 28.738 -0.079 0.000 1.527 878 Q HN 0.333 nan 8.270 nan 0.000 0.441 879 R N -0.304 120.123 120.500 -0.121 0.000 3.793 879 R HA -0.222 4.123 4.340 0.008 0.000 0.464 879 R C -0.236 176.029 176.300 -0.058 0.000 0.241 879 R CA 1.769 57.819 56.100 -0.084 0.000 1.464 879 R CB -2.169 28.088 30.300 -0.072 0.000 0.954 879 R HN 0.793 nan 8.270 nan 0.000 0.583 880 T N 1.495 116.022 114.554 -0.045 0.000 3.455 880 T HA -0.096 4.259 4.350 0.008 0.000 0.416 880 T C 0.465 175.150 174.700 -0.026 0.000 0.766 880 T CA 0.788 62.869 62.100 -0.032 0.000 2.199 880 T CB -0.964 67.886 68.868 -0.030 0.000 1.725 880 T HN 0.625 nan 8.240 nan 0.000 0.751 881 N N -1.223 117.463 118.700 -0.023 0.000 2.292 881 N HA -0.245 4.500 4.740 0.008 0.000 0.219 881 N C 1.336 176.834 175.510 -0.019 0.000 1.011 881 N CA 2.606 55.644 53.050 -0.018 0.000 2.776 881 N CB -1.473 37.006 38.487 -0.014 0.000 0.819 881 N HN 0.658 nan 8.380 nan 0.000 0.457 882 T N 0.938 115.479 114.554 -0.021 0.000 2.866 882 T HA 0.297 4.652 4.350 0.008 0.000 0.250 882 T C 1.555 176.240 174.700 -0.026 0.000 1.033 882 T CA 1.190 63.278 62.100 -0.020 0.000 1.145 882 T CB 0.271 69.129 68.868 -0.017 0.000 0.866 882 T HN 0.412 nan 8.240 nan 0.000 0.434 883 L N -0.988 120.213 121.223 -0.036 0.000 5.188 883 L HA -0.208 4.137 4.340 0.008 0.000 0.431 883 L C 0.588 177.430 176.870 -0.045 0.000 1.017 883 L CA 0.487 55.298 54.840 -0.048 0.000 1.195 883 L CB -1.617 40.416 42.059 -0.043 0.000 1.860 883 L HN 0.190 nan 8.230 nan 0.000 0.691 884 R N 1.568 122.050 120.500 -0.029 0.000 2.842 884 R HA 0.210 4.554 4.340 0.008 0.000 0.260 884 R C 0.333 176.631 176.300 -0.004 0.000 1.495 884 R CA 0.580 56.670 56.100 -0.017 0.000 1.024 884 R CB -0.115 30.182 30.300 -0.005 0.000 1.147 884 R HN 0.411 nan 8.270 nan 0.000 0.553 885 M N 0.757 120.352 119.600 -0.008 0.000 2.561 885 M HA 0.437 4.921 4.480 0.008 0.000 0.266 885 M C -0.141 176.204 176.300 0.074 0.000 0.983 885 M CA -0.792 54.537 55.300 0.047 0.000 1.080 885 M CB 1.291 33.877 32.600 -0.023 0.000 1.554 885 M HN 0.044 nan 8.290 nan 0.000 0.604 886 K N -0.467 120.043 120.400 0.182 0.000 2.400 886 K HA 0.372 4.696 4.320 0.008 0.000 0.246 886 K C 0.497 177.176 176.600 0.133 0.000 0.995 886 K CA -0.894 55.467 56.287 0.123 0.000 0.840 886 K CB 1.666 34.232 32.500 0.109 0.000 1.293 886 K HN 0.514 nan 8.250 nan 0.000 0.445 887 H N 0.707 119.823 119.070 0.077 0.000 2.456 887 H HA -0.056 4.503 4.556 0.005 0.000 0.296 887 H C 0.844 176.203 175.328 0.053 0.000 1.079 887 H CA 1.296 57.379 56.048 0.060 0.000 1.322 887 H CB 0.005 29.785 29.762 0.030 0.000 1.388 887 H HN 0.790 nan 8.280 nan 0.000 0.538 888 G N 0.406 109.281 108.800 0.126 0.000 2.647 888 G HA2 0.025 3.989 3.960 0.008 0.000 0.234 888 G HA3 0.025 3.989 3.960 0.008 0.000 0.234 888 G C -0.251 174.648 174.900 -0.002 0.000 1.252 888 G CA -0.143 44.952 45.100 -0.008 0.000 0.846 888 G HN 0.179 nan 8.290 nan 0.000 0.589 889 T N 1.184 115.713 114.554 -0.043 0.000 2.771 889 T HA 0.260 4.614 4.350 0.008 0.000 0.291 889 T C 0.262 174.930 174.700 -0.053 0.000 0.954 889 T CA -0.037 62.084 62.100 0.035 0.000 1.045 889 T CB 1.002 69.887 68.868 0.028 0.000 0.917 889 T HN 0.432 nan 8.240 nan 0.000 0.484 890 Y N 0.565 120.865 120.300 -0.001 0.000 2.510 890 Y HA 0.073 4.625 4.550 0.003 0.000 0.273 890 Y C 1.987 177.883 175.900 -0.006 0.000 1.119 890 Y CA -0.280 57.817 58.100 -0.006 0.000 1.286 890 Y CB -0.078 38.381 38.460 -0.003 0.000 1.061 890 Y HN 0.569 nan 8.280 nan 0.000 0.542 891 D N 0.676 121.163 120.400 0.145 0.000 2.417 891 D HA -0.156 4.489 4.640 0.008 0.000 0.225 891 D C 1.100 177.426 176.300 0.044 0.000 0.983 891 D CA 1.041 55.089 54.000 0.080 0.000 0.949 891 D CB -0.096 40.740 40.800 0.060 0.000 0.879 891 D HN 0.437 nan 8.370 nan 0.000 0.520 892 K N -0.387 120.029 120.400 0.026 0.000 2.358 892 K HA 0.180 4.505 4.320 0.008 0.000 0.200 892 K C 0.606 177.204 176.600 -0.003 0.000 1.030 892 K CA -0.140 56.147 56.287 0.000 0.000 1.097 892 K CB 0.947 33.432 32.500 -0.025 0.000 0.862 892 K HN 0.054 nan 8.250 nan 0.000 0.534 893 L N 1.265 122.499 121.223 0.017 0.000 2.379 893 L HA 0.178 4.523 4.340 0.008 0.000 0.269 893 L C 0.158 177.041 176.870 0.022 0.000 1.084 893 L CA -0.535 54.314 54.840 0.016 0.000 0.802 893 L CB 0.782 42.869 42.059 0.047 0.000 1.175 893 L HN -0.052 nan 8.230 nan 0.000 0.448 894 D N -0.464 119.941 120.400 0.010 0.000 2.529 894 D HA 0.097 4.742 4.640 0.008 0.000 0.273 894 D C 0.493 176.807 176.300 0.023 0.000 1.197 894 D CA -0.385 53.621 54.000 0.012 0.000 1.070 894 D CB 0.709 41.508 40.800 -0.000 0.000 1.134 894 D HN 0.436 nan 8.370 nan 0.000 0.590 895 D N -0.145 120.269 120.400 0.023 0.000 2.312 895 D HA -0.119 4.525 4.640 0.008 0.000 0.211 895 D C 0.845 177.170 176.300 0.041 0.000 0.964 895 D CA 0.664 54.683 54.000 0.032 0.000 0.877 895 D CB 0.159 40.975 40.800 0.027 0.000 0.924 895 D HN 0.421 nan 8.370 nan 0.000 0.515 896 D N -0.213 120.204 120.400 0.029 0.000 2.355 896 D HA -0.003 4.642 4.640 0.008 0.000 0.218 896 D C 1.568 177.891 176.300 0.037 0.000 1.004 896 D CA 0.808 54.829 54.000 0.035 0.000 0.880 896 D CB -0.124 40.678 40.800 0.003 0.000 0.911 896 D HN 0.196 nan 8.370 nan 0.000 0.528 897 G N 0.014 108.833 108.800 0.032 0.000 2.157 897 G HA2 -0.223 3.742 3.960 0.008 0.000 0.248 897 G HA3 -0.223 3.742 3.960 0.008 0.000 0.248 897 G C -0.087 174.781 174.900 -0.053 0.000 0.979 897 G CA 0.318 45.442 45.100 0.039 0.000 0.650 897 G HN 0.407 nan 8.290 nan 0.000 0.529 898 L N 0.666 121.839 121.223 -0.083 0.000 2.365 898 L HA 0.624 4.968 4.340 0.008 0.000 0.273 898 L C 0.854 177.679 176.870 -0.075 0.000 1.000 898 L CA -1.310 53.457 54.840 -0.122 0.000 0.819 898 L CB 1.778 43.737 42.059 -0.166 0.000 1.284 898 L HN -0.007 nan 8.230 nan 0.000 0.418 899 I N 1.909 122.433 120.570 -0.078 0.000 2.638 899 I HA 0.261 4.435 4.170 0.008 0.000 0.286 899 I C 0.776 176.868 176.117 -0.042 0.000 1.088 899 I CA -0.104 61.164 61.300 -0.054 0.000 1.397 899 I CB 1.309 39.274 38.000 -0.060 0.000 1.414 899 I HN 0.675 nan 8.210 nan 0.000 0.566 900 A N 7.123 129.927 122.820 -0.027 0.000 2.302 900 A HA 0.414 4.739 4.320 0.008 0.000 0.285 900 A C -1.740 175.837 177.584 -0.012 0.000 1.105 900 A CA -1.340 50.686 52.037 -0.019 0.000 0.816 900 A CB 0.246 19.239 19.000 -0.012 0.000 1.067 900 A HN 0.521 nan 8.150 nan 0.000 0.489 901 P HA -0.198 nan 4.420 nan 0.000 0.214 901 P C 1.728 179.034 177.300 0.011 0.000 1.169 901 P CA 2.416 65.519 63.100 0.005 0.000 0.908 901 P CB 0.066 31.769 31.700 0.005 0.000 0.791 902 G N -0.637 108.168 108.800 0.008 0.000 2.462 902 G HA2 -0.169 3.795 3.960 0.008 0.000 0.220 902 G HA3 -0.169 3.795 3.960 0.008 0.000 0.220 902 G C 0.384 175.290 174.900 0.011 0.000 1.121 902 G CA 0.259 45.366 45.100 0.011 0.000 0.758 902 G HN 0.194 nan 8.290 nan 0.000 0.559 903 V N 0.485 120.402 119.914 0.005 0.000 2.720 903 V HA 0.049 4.174 4.120 0.008 0.000 0.307 903 V C 0.885 176.982 176.094 0.005 0.000 1.071 903 V CA 0.011 62.312 62.300 0.002 0.000 1.199 903 V CB 0.637 32.456 31.823 -0.006 0.000 0.900 903 V HN 0.375 nan 8.190 nan 0.000 0.494 904 R N 3.652 124.155 120.500 0.006 0.000 2.221 904 R HA 0.562 4.906 4.340 0.008 0.000 0.327 904 R C -0.523 175.778 176.300 0.001 0.000 1.033 904 R CA -0.409 55.696 56.100 0.009 0.000 0.887 904 R CB 1.159 31.465 30.300 0.011 0.000 1.057 904 R HN 0.755 nan 8.270 nan 0.000 0.455 905 V N 1.180 121.096 119.914 0.002 0.000 3.103 905 V HA 0.901 5.025 4.120 0.008 0.000 0.318 905 V C -0.245 175.849 176.094 0.001 0.000 1.114 905 V CA -0.140 62.154 62.300 -0.011 0.000 1.020 905 V CB 1.784 33.590 31.823 -0.029 0.000 1.085 905 V HN 1.008 nan 8.190 nan 0.000 0.446 906 S N 0.203 115.897 115.700 -0.009 0.000 2.806 906 S HA 0.735 5.209 4.470 0.008 0.000 0.294 906 S C 0.921 175.515 174.600 -0.009 0.000 1.239 906 S CA 0.391 58.593 58.200 0.003 0.000 1.052 906 S CB 0.372 63.576 63.200 0.006 0.000 1.332 906 S HN 2.651 nan 8.310 nan 0.000 0.516 907 G N 1.555 110.354 108.800 -0.002 0.000 2.651 907 G HA2 -0.305 3.660 3.960 0.008 0.000 0.387 907 G HA3 -0.305 3.660 3.960 0.008 0.000 0.387 907 G C 0.137 175.026 174.900 -0.019 0.000 1.291 907 G CA 1.197 46.292 45.100 -0.008 0.000 0.958 907 G HN 1.102 nan 8.290 nan 0.000 0.549 908 E N 1.215 121.397 120.200 -0.030 0.000 2.609 908 E HA 0.291 4.646 4.350 0.008 0.000 0.208 908 E C -0.841 175.703 176.600 -0.093 0.000 1.013 908 E CA -0.200 56.172 56.400 -0.048 0.000 1.093 908 E CB 0.235 29.924 29.700 -0.019 0.000 1.129 908 E HN 0.450 nan 8.360 nan 0.000 0.450 909 D N 1.249 121.592 120.400 -0.095 0.000 2.487 909 D HA -0.033 4.611 4.640 0.008 0.000 0.243 909 D C -0.085 176.089 176.300 -0.209 0.000 1.154 909 D CA 0.192 54.114 54.000 -0.130 0.000 0.876 909 D CB 0.830 41.575 40.800 -0.091 0.000 1.161 909 D HN -0.103 nan 8.370 nan 0.000 0.478 910 V N 4.037 123.763 119.914 -0.313 0.000 2.540 910 V HA -0.038 4.087 4.120 0.008 0.000 0.297 910 V C 1.551 177.481 176.094 -0.274 0.000 1.024 910 V CA 0.367 62.431 62.300 -0.394 0.000 1.105 910 V CB 0.426 31.797 31.823 -0.754 0.000 0.938 910 V HN 0.533 nan 8.190 nan 0.000 0.482 911 I N 4.316 124.726 120.570 -0.267 0.000 3.339 911 I HA 0.274 4.449 4.170 0.008 0.000 0.285 911 I C 0.428 176.438 176.117 -0.179 0.000 1.201 911 I CA 0.838 61.999 61.300 -0.232 0.000 1.434 911 I CB 0.385 38.179 38.000 -0.344 0.000 1.152 911 I HN 0.441 nan 8.210 nan 0.000 0.443 912 I N 0.508 120.981 120.570 -0.161 0.000 2.534 912 I HA 0.404 4.579 4.170 0.008 0.000 0.288 912 I C -0.297 175.820 176.117 -0.000 0.000 1.077 912 I CA -0.567 60.677 61.300 -0.094 0.000 1.051 912 I CB 2.087 40.032 38.000 -0.092 0.000 1.234 912 I HN -0.092 nan 8.210 nan 0.000 0.425 913 G N 5.031 113.880 108.800 0.081 0.000 2.372 913 G HA2 0.653 4.617 3.960 0.008 0.000 0.323 913 G HA3 0.653 4.617 3.960 0.008 0.000 0.323 913 G C -1.222 173.835 174.900 0.262 0.000 1.152 913 G CA -0.385 44.824 45.100 0.182 0.000 0.906 913 G HN 0.590 nan 8.290 nan 0.000 0.460 914 K N 1.017 121.544 120.400 0.211 0.000 2.542 914 K HA 0.597 4.922 4.320 0.008 0.000 0.259 914 K C -1.076 175.565 176.600 0.068 0.000 0.932 914 K CA -0.587 55.792 56.287 0.154 0.000 0.820 914 K CB 2.067 34.653 32.500 0.143 0.000 1.345 914 K HN 0.491 nan 8.250 nan 0.000 0.432 915 T N 1.098 115.659 114.554 0.013 0.000 2.912 915 T HA 0.402 4.757 4.350 0.008 0.000 0.288 915 T C -0.668 174.019 174.700 -0.022 0.000 1.030 915 T CA -0.680 61.422 62.100 0.002 0.000 1.020 915 T CB 1.655 70.523 68.868 0.001 0.000 1.056 915 T HN 0.473 nan 8.240 nan 0.000 0.480 916 T N 4.219 118.766 114.554 -0.012 0.000 3.150 916 T HA 0.330 4.684 4.350 0.008 0.000 0.383 916 T C -2.621 172.074 174.700 -0.009 0.000 1.313 916 T CA -1.172 60.919 62.100 -0.015 0.000 1.235 916 T CB 0.594 69.458 68.868 -0.007 0.000 1.088 916 T HN 0.389 nan 8.240 nan 0.000 0.556 917 P HA 0.172 nan 4.420 nan 0.000 0.263 917 P C -0.347 176.951 177.300 -0.004 0.000 1.276 917 P CA 0.002 63.097 63.100 -0.007 0.000 0.986 917 P CB 0.098 31.793 31.700 -0.008 0.000 1.105 918 I N 2.373 122.942 120.570 -0.002 0.000 2.440 918 I HA 0.113 4.287 4.170 0.008 0.000 0.294 918 I C 1.527 177.644 176.117 0.001 0.000 0.995 918 I CA -0.399 60.902 61.300 0.001 0.000 1.306 918 I CB 1.519 39.520 38.000 0.002 0.000 1.407 918 I HN 0.323 nan 8.210 nan 0.000 0.501 934 K N 1.931 122.324 120.400 -0.012 0.000 2.814 934 K HA 0.427 4.752 4.320 0.008 0.000 0.205 934 K C -1.397 175.195 176.600 -0.013 0.000 1.093 934 K CA -0.194 56.085 56.287 -0.013 0.000 1.035 934 K CB 1.556 34.045 32.500 -0.018 0.000 1.220 934 K HN 0.270 nan 8.250 nan 0.000 0.576 935 R N 1.181 121.677 120.500 -0.006 0.000 2.312 935 R HA 0.175 4.519 4.340 0.008 0.000 0.311 935 R C -0.232 176.073 176.300 0.009 0.000 1.004 935 R CA -0.845 55.254 56.100 -0.002 0.000 0.902 935 R CB 1.106 31.407 30.300 0.001 0.000 1.073 935 R HN 0.381 nan 8.270 nan 0.000 0.457 936 D N 1.733 122.143 120.400 0.017 0.000 2.382 936 D HA 0.219 4.864 4.640 0.008 0.000 0.245 936 D C -0.973 175.359 176.300 0.052 0.000 1.120 936 D CA 0.185 54.212 54.000 0.046 0.000 0.890 936 D CB 1.203 42.047 40.800 0.073 0.000 1.201 936 D HN 0.626 nan 8.370 nan 0.000 0.433 937 A N 2.406 125.266 122.820 0.066 0.000 2.768 937 A HA 0.450 4.775 4.320 0.008 0.000 0.298 937 A C -1.046 176.587 177.584 0.082 0.000 1.159 937 A CA -0.645 51.427 52.037 0.058 0.000 0.783 937 A CB 0.317 19.338 19.000 0.036 0.000 1.333 937 A HN 0.434 nan 8.150 nan 0.000 0.412 938 S N 0.193 115.943 115.700 0.083 0.000 2.572 938 S HA 0.655 5.130 4.470 0.008 0.000 0.274 938 S C -0.382 174.224 174.600 0.010 0.000 1.150 938 S CA -0.595 57.651 58.200 0.077 0.000 0.944 938 S CB 1.283 64.555 63.200 0.120 0.000 1.071 938 S HN 0.493 nan 8.310 nan 0.000 0.479 939 T N 5.674 120.221 114.554 -0.012 0.000 2.799 939 T HA 0.426 4.781 4.350 0.008 0.000 0.296 939 T C -2.325 172.270 174.700 -0.175 0.000 0.947 939 T CA -0.503 61.558 62.100 -0.065 0.000 1.141 939 T CB 0.345 69.187 68.868 -0.044 0.000 0.891 939 T HN 0.535 nan 8.240 nan 0.000 0.533 940 P HA 0.376 nan 4.420 nan 0.000 0.293 940 P C -0.393 176.744 177.300 -0.273 0.000 1.291 940 P CA -0.974 61.997 63.100 -0.216 0.000 0.867 940 P CB 1.185 32.805 31.700 -0.133 0.000 1.074 941 L N 3.426 124.457 121.223 -0.320 0.000 2.514 941 L HA 0.068 4.413 4.340 0.008 0.000 0.280 941 L C 0.956 177.797 176.870 -0.049 0.000 1.223 941 L CA 0.221 54.873 54.840 -0.313 0.000 0.864 941 L CB 0.004 41.956 42.059 -0.178 0.000 1.118 941 L HN 0.308 nan 8.230 nan 0.000 0.494 942 R N 3.075 123.664 120.500 0.147 0.000 2.537 942 R HA -0.056 4.289 4.340 0.008 0.000 0.281 942 R C 1.613 177.961 176.300 0.080 0.000 0.988 942 R CA 0.599 56.788 56.100 0.149 0.000 1.077 942 R CB 0.143 30.570 30.300 0.211 0.000 0.932 942 R HN 0.994 nan 8.270 nan 0.000 0.409 943 S N 1.666 117.396 115.700 0.051 0.000 2.389 943 S HA -0.244 4.231 4.470 0.008 0.000 0.231 943 S C 1.566 176.187 174.600 0.035 0.000 1.052 943 S CA 2.186 60.405 58.200 0.032 0.000 1.053 943 S CB -0.474 62.742 63.200 0.027 0.000 0.886 943 S HN 0.798 nan 8.310 nan 0.000 0.456 944 T N -0.391 114.189 114.554 0.043 0.000 3.107 944 T HA 0.321 4.675 4.350 0.008 0.000 0.249 944 T C 0.377 175.099 174.700 0.037 0.000 1.096 944 T CA -0.206 61.915 62.100 0.034 0.000 1.012 944 T CB -0.058 68.827 68.868 0.027 0.000 0.977 944 T HN 0.540 nan 8.240 nan 0.000 0.527 945 E N 2.555 122.796 120.200 0.068 0.000 2.267 945 E HA 0.546 4.901 4.350 0.008 0.000 0.258 945 E C -0.350 176.301 176.600 0.085 0.000 1.074 945 E CA -1.007 55.450 56.400 0.094 0.000 0.915 945 E CB 0.690 30.499 29.700 0.182 0.000 1.186 945 E HN 0.420 nan 8.360 nan 0.000 0.439 946 N N -0.372 118.386 118.700 0.097 0.000 3.134 946 N HA 0.276 5.020 4.740 0.008 0.000 0.235 946 N C -0.899 174.658 175.510 0.078 0.000 1.092 946 N CA -0.236 52.856 53.050 0.070 0.000 1.038 946 N CB 1.113 39.624 38.487 0.039 0.000 1.684 946 N HN 0.630 nan 8.380 nan 0.000 0.551 947 G N 0.771 109.612 108.800 0.068 0.000 2.795 947 G HA2 0.530 4.495 3.960 0.008 0.000 0.127 947 G HA3 0.530 4.495 3.960 0.008 0.000 0.127 947 G C -1.663 173.263 174.900 0.043 0.000 1.203 947 G CA -0.514 44.622 45.100 0.059 0.000 1.145 947 G HN 0.543 nan 8.290 nan 0.000 0.580 948 I N 0.972 121.567 120.570 0.042 0.000 2.571 948 I HA 0.329 4.504 4.170 0.008 0.000 0.289 948 I C -0.114 176.030 176.117 0.045 0.000 1.115 948 I CA -0.909 60.412 61.300 0.036 0.000 1.045 948 I CB 2.444 40.463 38.000 0.033 0.000 1.238 948 I HN 0.209 nan 8.210 nan 0.000 0.424 949 V N 5.243 125.179 119.914 0.037 0.000 2.625 949 V HA -0.145 3.980 4.120 0.008 0.000 0.305 949 V C 0.712 176.839 176.094 0.055 0.000 1.055 949 V CA 0.980 63.305 62.300 0.042 0.000 1.209 949 V CB 0.658 32.490 31.823 0.015 0.000 0.877 949 V HN 0.855 nan 8.190 nan 0.000 0.489 950 D N 2.842 123.292 120.400 0.083 0.000 2.468 950 D HA 0.121 4.766 4.640 0.008 0.000 0.243 950 D C 0.754 177.088 176.300 0.057 0.000 0.994 950 D CA 0.797 54.859 54.000 0.104 0.000 0.932 950 D CB 0.518 41.445 40.800 0.212 0.000 1.078 950 D HN 0.705 nan 8.370 nan 0.000 0.473 951 Q N -0.748 119.077 119.800 0.041 0.000 2.462 951 Q HA 0.600 4.944 4.340 0.008 0.000 0.285 951 Q C -1.922 174.077 176.000 -0.003 0.000 1.035 951 Q CA -0.924 54.883 55.803 0.007 0.000 0.799 951 Q CB 3.262 31.992 28.738 -0.013 0.000 1.452 951 Q HN -0.080 nan 8.270 nan 0.000 0.404 952 V N 2.092 121.994 119.914 -0.020 0.000 2.760 952 V HA 0.608 4.733 4.120 0.008 0.000 0.309 952 V C -1.153 174.918 176.094 -0.038 0.000 1.077 952 V CA -0.806 61.471 62.300 -0.038 0.000 0.910 952 V CB 1.791 33.581 31.823 -0.055 0.000 1.008 952 V HN 0.716 nan 8.190 nan 0.000 0.424 953 L N 4.864 126.062 121.223 -0.042 0.000 2.381 953 L HA 0.941 5.285 4.340 0.008 0.000 0.268 953 L C -1.392 175.468 176.870 -0.018 0.000 0.997 953 L CA -0.546 54.285 54.840 -0.015 0.000 0.818 953 L CB 2.282 44.349 42.059 0.014 0.000 1.310 953 L HN 0.463 nan 8.230 nan 0.000 0.416 954 V N 3.404 123.325 119.914 0.011 0.000 2.376 954 V HA 0.640 4.765 4.120 0.008 0.000 0.287 954 V C -0.053 176.098 176.094 0.095 0.000 1.015 954 V CA -0.140 62.180 62.300 0.034 0.000 0.834 954 V CB 0.938 32.766 31.823 0.008 0.000 1.001 954 V HN 0.982 nan 8.190 nan 0.000 0.428 955 T N 2.227 116.887 114.554 0.176 0.000 2.669 955 T HA 0.604 4.959 4.350 0.008 0.000 0.283 955 T C -0.479 174.340 174.700 0.198 0.000 1.019 955 T CA -0.541 61.663 62.100 0.172 0.000 1.039 955 T CB 2.238 71.209 68.868 0.172 0.000 1.374 955 T HN 0.554 nan 8.240 nan 0.000 0.523 956 T N 2.395 117.020 114.554 0.118 0.000 2.881 956 T HA 0.495 4.849 4.350 0.008 0.000 0.290 956 T C -0.780 173.916 174.700 -0.005 0.000 1.000 956 T CA -0.679 61.472 62.100 0.084 0.000 0.978 956 T CB 1.066 69.972 68.868 0.063 0.000 0.997 956 T HN 0.528 nan 8.240 nan 0.000 0.443 957 N N 2.780 121.453 118.700 -0.045 0.000 2.439 957 N HA 0.204 4.949 4.740 0.008 0.000 0.249 957 N C 1.217 176.699 175.510 -0.046 0.000 1.003 957 N CA -0.046 52.927 53.050 -0.128 0.000 0.942 957 N CB 0.513 38.861 38.487 -0.231 0.000 1.115 957 N HN 0.688 nan 8.380 nan 0.000 0.505 958 Q N 1.584 121.367 119.800 -0.028 0.000 2.601 958 Q HA -0.354 3.991 4.340 0.008 0.000 0.280 958 Q C -0.276 175.730 176.000 0.009 0.000 2.159 958 Q CA 2.553 58.355 55.803 -0.001 0.000 0.923 958 Q CB -0.781 27.957 28.738 -0.000 0.000 0.852 958 Q HN 0.755 nan 8.270 nan 0.000 0.674 959 D N 0.712 121.116 120.400 0.006 0.000 2.789 959 D HA 0.071 4.715 4.640 0.008 0.000 0.249 959 D C 0.702 177.019 176.300 0.029 0.000 1.290 959 D CA 1.162 55.173 54.000 0.019 0.000 0.989 959 D CB -1.029 39.774 40.800 0.006 0.000 1.145 959 D HN 0.639 nan 8.370 nan 0.000 0.449 960 G N 0.950 109.767 108.800 0.030 0.000 2.449 960 G HA2 -0.314 3.650 3.960 0.008 0.000 0.304 960 G HA3 -0.314 3.650 3.960 0.008 0.000 0.304 960 G C 0.405 175.336 174.900 0.052 0.000 0.962 960 G CA 0.126 45.250 45.100 0.039 0.000 0.943 960 G HN 0.421 nan 8.290 nan 0.000 0.514 961 L N -0.718 120.540 121.223 0.058 0.000 2.350 961 L HA 0.355 4.700 4.340 0.008 0.000 0.275 961 L C 0.976 177.941 176.870 0.159 0.000 1.099 961 L CA -0.518 54.377 54.840 0.092 0.000 0.808 961 L CB 0.984 43.099 42.059 0.093 0.000 1.149 961 L HN 0.017 nan 8.230 nan 0.000 0.442 962 K N 2.811 123.327 120.400 0.193 0.000 2.285 962 K HA 0.305 4.630 4.320 0.008 0.000 0.286 962 K C -1.067 175.812 176.600 0.464 0.000 1.072 962 K CA -0.258 56.209 56.287 0.301 0.000 0.913 962 K CB 0.808 33.502 32.500 0.324 0.000 1.067 962 K HN 0.217 nan 8.250 nan 0.000 0.479 963 F N 3.061 123.132 119.950 0.200 0.000 2.469 963 F HA 0.368 4.901 4.527 0.009 0.000 0.332 963 F C -0.631 175.230 175.800 0.101 0.000 1.103 963 F CA -0.834 57.266 58.000 0.167 0.000 0.979 963 F CB 1.313 40.373 39.000 0.100 0.000 1.137 963 F HN 0.084 nan 8.300 nan 0.000 0.463 964 V N 5.355 125.060 119.914 -0.350 0.000 2.623 964 V HA 0.425 4.550 4.120 0.008 0.000 0.304 964 V C -0.962 174.901 176.094 -0.386 0.000 1.054 964 V CA -1.126 60.975 62.300 -0.332 0.000 0.882 964 V CB 2.102 33.630 31.823 -0.491 0.000 1.002 964 V HN 0.600 nan 8.190 nan 0.000 0.424 965 K N 3.289 123.555 120.400 -0.223 0.000 2.450 965 K HA 0.680 5.005 4.320 0.008 0.000 0.257 965 K C -1.324 175.234 176.600 -0.070 0.000 0.953 965 K CA -0.604 55.597 56.287 -0.144 0.000 0.844 965 K CB 2.388 34.845 32.500 -0.072 0.000 1.103 965 K HN 0.468 nan 8.250 nan 0.000 0.429 966 V N 3.989 123.891 119.914 -0.020 0.000 2.328 966 V HA 0.318 4.443 4.120 0.008 0.000 0.278 966 V C 0.055 176.213 176.094 0.107 0.000 1.021 966 V CA -0.774 61.542 62.300 0.028 0.000 0.838 966 V CB 0.974 32.810 31.823 0.021 0.000 0.999 966 V HN 0.620 nan 8.190 nan 0.000 0.447 967 R N 3.900 124.439 120.500 0.064 0.000 2.297 967 R HA 0.675 5.020 4.340 0.008 0.000 0.308 967 R C -1.178 175.195 176.300 0.121 0.000 1.029 967 R CA -0.327 55.819 56.100 0.076 0.000 0.929 967 R CB 1.438 31.767 30.300 0.048 0.000 1.046 967 R HN 0.544 nan 8.270 nan 0.000 0.461 968 V N 4.851 124.844 119.914 0.133 0.000 2.513 968 V HA 0.499 4.624 4.120 0.008 0.000 0.299 968 V C -0.037 176.093 176.094 0.060 0.000 1.035 968 V CA -0.860 61.516 62.300 0.127 0.000 0.889 968 V CB 1.556 33.501 31.823 0.204 0.000 0.988 968 V HN 0.724 nan 8.190 nan 0.000 0.440 969 R N 2.137 122.658 120.500 0.035 0.000 2.514 969 R HA 0.751 5.096 4.340 0.008 0.000 0.301 969 R C -1.175 175.077 176.300 -0.079 0.000 0.962 969 R CA -0.177 55.852 56.100 -0.119 0.000 0.882 969 R CB 2.034 32.274 30.300 -0.100 0.000 1.143 969 R HN 0.855 nan 8.270 nan 0.000 0.452 970 T N 1.634 116.123 114.554 -0.109 0.000 2.909 970 T HA 0.311 4.665 4.350 0.008 0.000 0.299 970 T C -0.996 173.707 174.700 0.004 0.000 1.073 970 T CA -0.488 61.625 62.100 0.022 0.000 0.999 970 T CB 1.986 70.947 68.868 0.154 0.000 1.098 970 T HN 0.430 nan 8.240 nan 0.000 0.477 971 T N 3.240 117.823 114.554 0.049 0.000 2.772 971 T HA 0.387 4.741 4.350 0.008 0.000 0.288 971 T C -0.289 174.443 174.700 0.053 0.000 0.994 971 T CA -0.678 61.483 62.100 0.102 0.000 0.951 971 T CB 0.479 69.443 68.868 0.159 0.000 0.933 971 T HN 0.313 nan 8.240 nan 0.000 0.447 972 K N 3.656 124.084 120.400 0.046 0.000 2.234 972 K HA 0.494 4.818 4.320 0.008 0.000 0.277 972 K C -0.417 176.179 176.600 -0.007 0.000 1.038 972 K CA -0.470 55.816 56.287 -0.001 0.000 0.888 972 K CB 1.364 33.842 32.500 -0.038 0.000 1.091 972 K HN 0.526 nan 8.250 nan 0.000 0.467 973 I N 5.465 126.027 120.570 -0.014 0.000 2.353 973 I HA 0.194 4.368 4.170 0.008 0.000 0.293 973 I C -1.788 174.351 176.117 0.037 0.000 0.992 973 I CA -2.578 58.720 61.300 -0.004 0.000 1.268 973 I CB 1.274 39.263 38.000 -0.018 0.000 1.387 973 I HN 0.396 nan 8.210 nan 0.000 0.478 974 P HA -0.093 nan 4.420 nan 0.000 0.256 974 P C -0.942 176.421 177.300 0.104 0.000 1.173 974 P CA 0.504 63.711 63.100 0.178 0.000 0.768 974 P CB 0.855 32.738 31.700 0.306 0.000 0.758 975 Q N 2.644 122.490 119.800 0.078 0.000 2.852 975 Q HA 0.342 4.687 4.340 0.008 0.000 0.262 975 Q C 1.474 177.504 176.000 0.051 0.000 1.051 975 Q CA -1.008 54.820 55.803 0.041 0.000 0.894 975 Q CB 1.411 30.155 28.738 0.010 0.000 1.381 975 Q HN 0.225 nan 8.270 nan 0.000 0.501 976 I N -0.023 120.562 120.570 0.025 0.000 2.142 976 I HA -0.176 3.999 4.170 0.008 0.000 0.240 976 I C 1.605 177.741 176.117 0.032 0.000 1.078 976 I CA 1.792 63.108 61.300 0.026 0.000 1.343 976 I CB -0.350 37.659 38.000 0.015 0.000 1.046 976 I HN 0.846 nan 8.210 nan 0.000 0.405 977 G N -0.154 108.652 108.800 0.011 0.000 3.088 977 G HA2 -0.055 3.910 3.960 0.008 0.000 0.212 977 G HA3 -0.055 3.910 3.960 0.008 0.000 0.212 977 G C 0.023 174.906 174.900 -0.027 0.000 1.173 977 G CA -0.181 44.917 45.100 -0.003 0.000 0.779 977 G HN 0.232 nan 8.290 nan 0.000 0.540 978 D N 0.947 121.329 120.400 -0.030 0.000 2.417 978 D HA 0.156 4.801 4.640 0.008 0.000 0.250 978 D C 0.449 176.600 176.300 -0.248 0.000 1.166 978 D CA 0.364 54.272 54.000 -0.154 0.000 0.881 978 D CB 1.283 41.981 40.800 -0.170 0.000 1.164 978 D HN 0.135 nan 8.370 nan 0.000 0.467 979 K N 2.007 122.200 120.400 -0.345 0.000 2.270 979 K HA 0.391 4.715 4.320 0.008 0.000 0.276 979 K C -0.966 175.254 176.600 -0.634 0.000 1.023 979 K CA -0.177 55.931 56.287 -0.297 0.000 0.955 979 K CB 0.469 32.860 32.500 -0.182 0.000 0.975 979 K HN 0.229 nan 8.250 nan 0.000 0.471 980 F N 0.721 120.613 119.950 -0.096 0.000 2.626 980 F HA 0.640 5.172 4.527 0.007 0.000 0.311 980 F C -0.452 175.320 175.800 -0.046 0.000 1.088 980 F CA -0.790 57.137 58.000 -0.122 0.000 0.949 980 F CB 2.348 41.272 39.000 -0.127 0.000 1.322 980 F HN 0.571 nan 8.300 nan 0.000 0.461 981 A N 0.514 123.383 122.820 0.081 0.000 2.594 981 A HA 0.707 5.032 4.320 0.008 0.000 0.295 981 A C -0.483 176.786 177.584 -0.526 0.000 1.071 981 A CA -0.276 51.696 52.037 -0.109 0.000 0.685 981 A CB 1.190 20.146 19.000 -0.073 0.000 1.285 981 A HN 0.898 nan 8.150 nan 0.000 0.405 982 S N 0.872 116.154 115.700 -0.698 0.000 2.423 982 S HA 0.340 4.815 4.470 0.008 0.000 0.244 982 S C 0.682 175.063 174.600 -0.365 0.000 1.267 982 S CA 0.192 57.870 58.200 -0.869 0.000 0.988 982 S CB 0.120 63.110 63.200 -0.351 0.000 0.978 982 S HN 0.668 nan 8.310 nan 0.000 0.506 983 R N -0.234 120.071 120.500 -0.326 0.000 2.432 983 R HA 0.270 4.614 4.340 0.008 0.000 0.260 983 R C -0.028 175.900 176.300 -0.621 0.000 0.935 983 R CA -0.026 55.821 56.100 -0.423 0.000 1.080 983 R CB 0.125 30.147 30.300 -0.463 0.000 1.155 983 R HN 0.604 nan 8.270 nan 0.000 0.531 984 H N -0.518 118.549 119.070 -0.004 0.000 2.505 984 H HA 0.216 4.777 4.556 0.008 0.000 0.260 984 H C 0.727 176.107 175.328 0.087 0.000 1.232 984 H CA 0.096 56.180 56.048 0.060 0.000 0.991 984 H CB 0.885 30.726 29.762 0.131 0.000 1.729 984 H HN 0.364 nan 8.280 nan 0.000 0.561 985 G N 1.918 110.786 108.800 0.114 0.000 2.258 985 G HA2 -0.308 3.657 3.960 0.008 0.000 0.274 985 G HA3 -0.308 3.657 3.960 0.008 0.000 0.274 985 G C 0.278 175.276 174.900 0.163 0.000 1.021 985 G CA 0.297 45.508 45.100 0.185 0.000 0.798 985 G HN 0.394 nan 8.290 nan 0.000 0.507 986 Q N 0.464 120.334 119.800 0.118 0.000 2.454 986 Q HA 0.432 4.777 4.340 0.008 0.000 0.255 986 Q C 0.362 176.399 176.000 0.062 0.000 1.034 986 Q CA -0.763 55.101 55.803 0.102 0.000 0.736 986 Q CB 0.577 29.401 28.738 0.144 0.000 1.210 986 Q HN 0.577 nan 8.270 nan 0.000 0.500 987 K N 0.961 121.381 120.400 0.034 0.000 2.087 987 K HA 0.907 5.231 4.320 0.008 0.000 0.255 987 K C -0.204 176.429 176.600 0.056 0.000 0.988 987 K CA -0.833 55.470 56.287 0.026 0.000 0.915 987 K CB 1.530 34.016 32.500 -0.024 0.000 1.043 987 K HN 0.508 nan 8.250 nan 0.000 0.457 988 G N 0.300 109.150 108.800 0.082 0.000 2.702 988 G HA2 0.347 4.311 3.960 0.008 0.000 0.296 988 G HA3 0.347 4.311 3.960 0.008 0.000 0.296 988 G C -1.102 173.862 174.900 0.106 0.000 1.463 988 G CA -0.629 44.525 45.100 0.090 0.000 0.890 988 G HN 0.790 nan 8.290 nan 0.000 0.534 989 T N -0.830 113.767 114.554 0.071 0.000 2.927 989 T HA 0.725 5.080 4.350 0.008 0.000 0.281 989 T C 0.653 175.418 174.700 0.109 0.000 0.998 989 T CA -0.696 61.450 62.100 0.075 0.000 1.019 989 T CB 1.106 69.985 68.868 0.020 0.000 1.061 989 T HN 0.470 nan 8.240 nan 0.000 0.518 990 I N 1.315 121.968 120.570 0.139 0.000 2.779 990 I HA 0.375 4.549 4.170 0.008 0.000 0.285 990 I C 1.500 177.651 176.117 0.057 0.000 1.134 990 I CA 0.062 61.423 61.300 0.101 0.000 1.398 990 I CB 0.864 38.939 38.000 0.124 0.000 1.404 990 I HN 1.020 nan 8.210 nan 0.000 0.587 991 G N 5.675 114.497 108.800 0.037 0.000 3.146 991 G HA2 0.406 4.370 3.960 0.008 0.000 0.238 991 G HA3 0.406 4.370 3.960 0.008 0.000 0.238 991 G C 0.005 174.937 174.900 0.052 0.000 1.022 991 G CA 0.155 45.294 45.100 0.065 0.000 0.880 991 G HN 0.536 nan 8.290 nan 0.000 0.533 992 I N 0.381 120.913 120.570 -0.063 0.000 2.526 992 I HA 0.308 4.483 4.170 0.008 0.000 0.305 992 I C -1.576 174.368 176.117 -0.288 0.000 1.951 992 I CA -0.641 60.535 61.300 -0.206 0.000 0.938 992 I CB 1.604 39.350 38.000 -0.424 0.000 1.543 992 I HN 0.092 nan 8.210 nan 0.000 0.609 993 T N 2.474 116.879 114.554 -0.248 0.000 2.856 993 T HA 0.640 4.995 4.350 0.008 0.000 0.283 993 T C -1.215 173.432 174.700 -0.089 0.000 1.008 993 T CA -0.438 61.567 62.100 -0.159 0.000 0.997 993 T CB 1.335 70.176 68.868 -0.044 0.000 0.992 993 T HN 0.482 nan 8.240 nan 0.000 0.454 994 Y N 0.599 120.908 120.300 0.016 0.000 2.429 994 Y HA 0.538 5.093 4.550 0.007 0.000 0.342 994 Y C 1.091 177.012 175.900 0.036 0.000 1.004 994 Y CA -1.631 56.493 58.100 0.040 0.000 1.075 994 Y CB 2.219 40.738 38.460 0.099 0.000 1.214 994 Y HN 0.465 nan 8.280 nan 0.000 0.455 995 R N 1.114 121.737 120.500 0.205 0.000 2.560 995 R HA 0.188 4.532 4.340 0.008 0.000 0.270 995 R C 1.313 177.676 176.300 0.104 0.000 1.074 995 R CA -0.408 55.757 56.100 0.109 0.000 1.140 995 R CB 0.753 31.094 30.300 0.068 0.000 1.073 995 R HN 0.749 nan 8.270 nan 0.000 0.527 996 R N 1.493 122.033 120.500 0.067 0.000 2.189 996 R HA -0.321 4.024 4.340 0.008 0.000 0.252 996 R C 1.294 177.640 176.300 0.078 0.000 1.134 996 R CA 2.659 58.795 56.100 0.060 0.000 0.954 996 R CB -0.080 30.233 30.300 0.021 0.000 0.890 996 R HN 0.668 nan 8.270 nan 0.000 0.443 997 E N 0.622 120.858 120.200 0.060 0.000 2.012 997 E HA -0.203 4.152 4.350 0.008 0.000 0.197 997 E C 1.682 178.373 176.600 0.151 0.000 1.007 997 E CA 1.839 58.285 56.400 0.077 0.000 0.816 997 E CB -0.451 29.273 29.700 0.041 0.000 0.762 997 E HN 0.489 nan 8.360 nan 0.000 0.451 998 D N 0.217 120.690 120.400 0.122 0.000 2.315 998 D HA -0.147 4.498 4.640 0.008 0.000 0.211 998 D C 0.603 177.032 176.300 0.215 0.000 0.977 998 D CA 0.646 54.741 54.000 0.159 0.000 0.894 998 D CB -0.183 40.571 40.800 -0.076 0.000 0.910 998 D HN 0.174 nan 8.370 nan 0.000 0.490 999 M N 1.594 121.313 119.600 0.198 0.000 2.240 999 M HA 0.155 4.639 4.480 0.008 0.000 0.333 999 M C -2.280 174.075 176.300 0.090 0.000 1.110 999 M CA -1.695 53.690 55.300 0.141 0.000 1.173 999 M CB 1.011 33.681 32.600 0.118 0.000 1.458 999 M HN -0.248 nan 8.290 nan 0.000 0.458 1000 P HA 0.217 nan 4.420 nan 0.000 0.274 1000 P C -1.497 175.809 177.300 0.011 0.000 1.231 1000 P CA -0.076 62.901 63.100 -0.205 0.000 0.790 1000 P CB 0.256 31.651 31.700 -0.509 0.000 0.951 1001 F N -1.925 118.031 119.950 0.010 0.000 2.603 1001 F HA 0.677 5.208 4.527 0.008 0.000 0.317 1001 F C -0.167 175.627 175.800 -0.010 0.000 1.066 1001 F CA -1.323 56.667 58.000 -0.017 0.000 0.941 1001 F CB 0.810 39.808 39.000 -0.004 0.000 1.291 1001 F HN 0.144 nan 8.300 nan 0.000 0.472 1002 T N 0.769 115.415 114.554 0.155 0.000 2.909 1002 T HA 0.500 4.855 4.350 0.008 0.000 0.289 1002 T C 1.175 176.035 174.700 0.267 0.000 1.005 1002 T CA 0.177 62.296 62.100 0.032 0.000 1.084 1002 T CB 1.277 69.998 68.868 -0.245 0.000 0.975 1002 T HN 0.950 nan 8.240 nan 0.000 0.509 1003 A N 3.137 126.133 122.820 0.293 0.000 1.986 1003 A HA -0.095 4.230 4.320 0.008 0.000 0.220 1003 A C 2.000 179.636 177.584 0.087 0.000 1.171 1003 A CA 1.684 53.867 52.037 0.244 0.000 0.640 1003 A CB -0.532 18.628 19.000 0.267 0.000 0.811 1003 A HN 0.954 nan 8.150 nan 0.000 0.451 1004 E N -1.805 118.438 120.200 0.072 0.000 2.338 1004 E HA 0.088 4.442 4.350 0.008 0.000 0.197 1004 E C 1.310 177.909 176.600 -0.001 0.000 1.007 1004 E CA 0.508 56.928 56.400 0.033 0.000 0.849 1004 E CB -0.197 29.539 29.700 0.060 0.000 0.774 1004 E HN 0.840 nan 8.360 nan 0.000 0.506 1005 G N 1.292 110.093 108.800 0.001 0.000 2.176 1005 G HA2 -0.249 3.716 3.960 0.008 0.000 0.232 1005 G HA3 -0.249 3.716 3.960 0.008 0.000 0.232 1005 G C 0.297 175.183 174.900 -0.023 0.000 0.986 1005 G CA -0.100 44.966 45.100 -0.057 0.000 0.643 1005 G HN 0.167 nan 8.290 nan 0.000 0.522 1006 I N 0.458 121.025 120.570 -0.006 0.000 2.638 1006 I HA 0.535 4.709 4.170 0.008 0.000 0.286 1006 I C 0.545 176.682 176.117 0.034 0.000 1.088 1006 I CA -0.505 60.801 61.300 0.010 0.000 1.397 1006 I CB 1.513 39.511 38.000 -0.004 0.000 1.414 1006 I HN -0.029 nan 8.210 nan 0.000 0.566 1007 V N 6.766 126.762 119.914 0.136 0.000 3.007 1007 V HA 0.544 4.669 4.120 0.008 0.000 0.311 1007 V C -2.293 173.986 176.094 0.309 0.000 1.120 1007 V CA -1.788 60.632 62.300 0.200 0.000 0.980 1007 V CB 2.934 34.833 31.823 0.127 0.000 1.033 1007 V HN 0.611 nan 8.190 nan 0.000 0.429 1008 P HA 0.321 nan 4.420 nan 0.000 0.278 1008 P C -0.629 176.654 177.300 -0.028 0.000 1.238 1008 P CA -0.065 63.077 63.100 0.071 0.000 0.794 1008 P CB 1.234 32.915 31.700 -0.032 0.000 0.955 1009 D N 0.516 120.847 120.400 -0.115 0.000 2.305 1009 D HA 0.105 4.750 4.640 0.008 0.000 0.206 1009 D C 0.359 176.568 176.300 -0.152 0.000 0.974 1009 D CA 1.025 54.953 54.000 -0.120 0.000 0.871 1009 D CB 0.281 40.986 40.800 -0.159 0.000 0.947 1009 D HN 0.179 nan 8.370 nan 0.000 0.516 1010 L N 0.256 121.355 121.223 -0.207 0.000 2.466 1010 L HA 0.437 4.782 4.340 0.008 0.000 0.258 1010 L C -1.819 174.921 176.870 -0.217 0.000 0.973 1010 L CA -0.591 54.105 54.840 -0.239 0.000 0.826 1010 L CB 2.500 44.331 42.059 -0.380 0.000 1.372 1010 L HN -0.248 nan 8.230 nan 0.000 0.409 1011 I N 5.298 125.779 120.570 -0.148 0.000 2.499 1011 I HA 0.518 4.693 4.170 0.008 0.000 0.288 1011 I C -0.506 175.580 176.117 -0.053 0.000 1.048 1011 I CA -0.639 60.605 61.300 -0.095 0.000 1.062 1011 I CB 1.823 39.803 38.000 -0.034 0.000 1.238 1011 I HN 0.565 nan 8.210 nan 0.000 0.426 1012 I N 2.527 123.074 120.570 -0.038 0.000 2.648 1012 I HA 0.553 4.728 4.170 0.008 0.000 0.304 1012 I C -0.501 175.622 176.117 0.010 0.000 1.009 1012 I CA -0.631 60.672 61.300 0.006 0.000 1.114 1012 I CB 1.910 39.932 38.000 0.037 0.000 1.293 1012 I HN 0.498 nan 8.210 nan 0.000 0.449 1013 N N 6.561 125.277 118.700 0.026 0.000 2.470 1013 N HA 0.224 4.968 4.740 0.008 0.000 0.268 1013 N C -1.619 173.870 175.510 -0.035 0.000 1.136 1013 N CA -1.897 51.164 53.050 0.019 0.000 0.961 1013 N CB 1.324 39.854 38.487 0.072 0.000 1.067 1013 N HN 0.513 nan 8.380 nan 0.000 0.468 1014 P HA -0.182 nan 4.420 nan 0.000 0.217 1014 P C 0.718 177.932 177.300 -0.144 0.000 1.148 1014 P CA 1.413 64.411 63.100 -0.169 0.000 0.834 1014 P CB 0.027 31.589 31.700 -0.230 0.000 0.783 1015 H N 0.201 119.259 119.070 -0.019 0.000 2.541 1015 H HA 0.070 4.631 4.556 0.008 0.000 0.289 1015 H C 1.266 176.579 175.328 -0.026 0.000 1.054 1015 H CA 1.101 57.137 56.048 -0.019 0.000 1.250 1015 H CB -0.496 29.261 29.762 -0.009 0.000 1.369 1015 H HN 0.173 nan 8.280 nan 0.000 0.578 1016 A N 0.361 123.222 122.820 0.068 0.000 2.988 1016 A HA 0.322 4.647 4.320 0.008 0.000 0.288 1016 A C 1.301 178.872 177.584 -0.022 0.000 1.385 1016 A CA -0.138 51.917 52.037 0.030 0.000 1.001 1016 A CB -0.453 18.564 19.000 0.027 0.000 1.071 1016 A HN 0.268 nan 8.150 nan 0.000 0.608 1017 I N -1.970 118.583 120.570 -0.028 0.000 4.079 1017 I HA 0.075 4.250 4.170 0.008 0.000 0.276 1017 I C -1.134 174.956 176.117 -0.045 0.000 1.146 1017 I CA -0.279 60.977 61.300 -0.074 0.000 1.324 1017 I CB -0.811 37.101 38.000 -0.146 0.000 1.638 1017 I HN 0.067 nan 8.210 nan 0.000 0.436 1018 P HA -0.207 nan 4.420 nan 0.000 0.217 1018 P C 1.773 179.072 177.300 -0.002 0.000 1.158 1018 P CA 2.481 65.575 63.100 -0.010 0.000 0.887 1018 P CB -0.012 31.697 31.700 0.015 0.000 0.792 1019 S N -0.831 114.875 115.700 0.009 0.000 2.377 1019 S HA -0.071 4.404 4.470 0.008 0.000 0.223 1019 S C 1.759 176.369 174.600 0.018 0.000 1.030 1019 S CA 0.514 58.723 58.200 0.014 0.000 0.970 1019 S CB -0.853 62.357 63.200 0.018 0.000 0.830 1019 S HN 0.076 nan 8.310 nan 0.000 0.473 1020 R N 1.644 122.157 120.500 0.020 0.000 2.339 1020 R HA 0.201 4.545 4.340 0.008 0.000 0.199 1020 R C 0.573 176.886 176.300 0.022 0.000 1.018 1020 R CA 0.440 56.561 56.100 0.035 0.000 1.036 1020 R CB -0.932 29.398 30.300 0.049 0.000 0.899 1020 R HN 0.474 nan 8.270 nan 0.000 0.473 1021 M N 0.534 120.137 119.600 0.004 0.000 2.237 1021 M HA -0.175 4.310 4.480 0.008 0.000 0.198 1021 M C 0.197 176.499 176.300 0.004 0.000 0.321 1021 M CA 1.166 56.464 55.300 -0.002 0.000 0.398 1021 M CB -2.473 30.130 32.600 0.006 0.000 1.251 1021 M HN 0.001 nan 8.290 nan 0.000 0.921 1022 T N 0.381 114.934 114.554 -0.002 0.000 3.629 1022 T HA 0.419 4.774 4.350 0.008 0.000 0.317 1022 T C 1.258 175.928 174.700 -0.050 0.000 1.690 1022 T CA -0.278 61.831 62.100 0.016 0.000 1.276 1022 T CB -0.096 68.815 68.868 0.073 0.000 1.205 1022 T HN 0.282 nan 8.240 nan 0.000 0.824 1023 V N 2.991 122.879 119.914 -0.043 0.000 2.332 1023 V HA -0.166 3.959 4.120 0.008 0.000 0.248 1023 V C 2.942 178.963 176.094 -0.121 0.000 1.055 1023 V CA 2.112 64.365 62.300 -0.079 0.000 1.038 1023 V CB -1.188 30.614 31.823 -0.036 0.000 0.651 1023 V HN 0.845 nan 8.190 nan 0.000 0.450 1024 A N -0.391 122.372 122.820 -0.095 0.000 1.940 1024 A HA -0.386 3.938 4.320 0.008 0.000 0.221 1024 A C 2.207 179.612 177.584 -0.298 0.000 1.190 1024 A CA 2.508 54.481 52.037 -0.106 0.000 0.647 1024 A CB -1.010 18.061 19.000 0.118 0.000 0.821 1024 A HN 0.727 nan 8.150 nan 0.000 0.457 1025 H N 0.391 118.964 119.070 -0.828 0.000 2.252 1025 H HA -0.182 4.379 4.556 0.008 0.000 0.292 1025 H C 1.940 177.166 175.328 -0.170 0.000 1.082 1025 H CA 2.345 57.997 56.048 -0.659 0.000 1.229 1025 H CB -0.662 28.878 29.762 -0.369 0.000 1.353 1025 H HN 0.436 nan 8.280 nan 0.000 0.488 1026 L N 0.230 121.511 121.223 0.096 0.000 1.963 1026 L HA -0.268 4.077 4.340 0.008 0.000 0.220 1026 L C 3.096 180.047 176.870 0.136 0.000 1.076 1026 L CA 1.784 56.634 54.840 0.017 0.000 0.772 1026 L CB -0.729 41.161 42.059 -0.282 0.000 0.892 1026 L HN 0.268 nan 8.230 nan 0.000 0.435 1027 I N -0.109 120.446 120.570 -0.024 0.000 2.074 1027 I HA -0.417 3.758 4.170 0.008 0.000 0.238 1027 I C 2.637 178.819 176.117 0.107 0.000 1.037 1027 I CA 2.149 63.408 61.300 -0.068 0.000 1.301 1027 I CB -0.721 37.034 38.000 -0.409 0.000 1.016 1027 I HN 0.465 nan 8.210 nan 0.000 0.400 1028 E N 0.326 120.648 120.200 0.204 0.000 2.197 1028 E HA -0.342 4.013 4.350 0.008 0.000 0.205 1028 E C 2.331 179.014 176.600 0.138 0.000 1.029 1028 E CA 2.193 58.733 56.400 0.233 0.000 0.828 1028 E CB -0.183 29.630 29.700 0.188 0.000 0.737 1028 E HN 0.615 nan 8.360 nan 0.000 0.464 1029 C N -0.325 119.065 119.300 0.151 0.000 2.462 1029 C HA -0.092 4.372 4.460 0.008 0.000 0.278 1029 C C 2.598 177.584 174.990 -0.007 0.000 1.253 1029 C CA 0.777 59.845 59.018 0.083 0.000 1.713 1029 C CB -1.204 26.662 27.740 0.209 0.000 2.049 1029 C HN 0.623 nan 8.230 nan 0.000 0.477 1030 L N 0.700 121.961 121.223 0.063 0.000 1.978 1030 L HA -0.158 4.187 4.340 0.008 0.000 0.218 1030 L C 2.323 179.192 176.870 -0.001 0.000 1.075 1030 L CA 2.192 57.038 54.840 0.009 0.000 0.767 1030 L CB -1.045 41.057 42.059 0.071 0.000 0.890 1030 L HN 0.396 nan 8.230 nan 0.000 0.434 1031 L N -1.117 120.139 121.223 0.055 0.000 1.955 1031 L HA -0.231 4.113 4.340 0.008 0.000 0.213 1031 L C 2.578 179.453 176.870 0.008 0.000 1.072 1031 L CA 2.249 57.127 54.840 0.063 0.000 0.755 1031 L CB -1.081 41.075 42.059 0.163 0.000 0.888 1031 L HN 0.302 nan 8.230 nan 0.000 0.432 1032 S N -0.766 114.939 115.700 0.009 0.000 2.420 1032 S HA -0.265 4.210 4.470 0.008 0.000 0.237 1032 S C 1.908 176.471 174.600 -0.062 0.000 1.023 1032 S CA 1.638 59.826 58.200 -0.020 0.000 0.991 1032 S CB -0.339 62.862 63.200 0.001 0.000 0.792 1032 S HN 0.424 nan 8.310 nan 0.000 0.488 1033 K N 0.875 121.219 120.400 -0.094 0.000 1.967 1033 K HA -0.041 4.283 4.320 0.008 0.000 0.212 1033 K C 2.025 178.531 176.600 -0.157 0.000 1.044 1033 K CA 1.328 57.525 56.287 -0.150 0.000 0.942 1033 K CB -0.532 31.844 32.500 -0.207 0.000 0.726 1033 K HN 0.094 nan 8.250 nan 0.000 0.440 1034 V N 1.658 121.487 119.914 -0.141 0.000 2.250 1034 V HA -0.374 3.751 4.120 0.008 0.000 0.253 1034 V C 2.436 178.419 176.094 -0.186 0.000 1.065 1034 V CA 2.296 64.490 62.300 -0.178 0.000 1.039 1034 V CB -0.846 30.934 31.823 -0.072 0.000 0.647 1034 V HN 0.614 nan 8.190 nan 0.000 0.446 1035 A N -0.406 122.356 122.820 -0.097 0.000 1.859 1035 A HA -0.253 4.071 4.320 0.008 0.000 0.217 1035 A C 2.446 179.986 177.584 -0.072 0.000 1.198 1035 A CA 2.887 54.884 52.037 -0.067 0.000 0.629 1035 A CB -1.182 17.792 19.000 -0.042 0.000 0.830 1035 A HN 0.728 nan 8.150 nan 0.000 0.446 1036 A N -0.568 122.208 122.820 -0.073 0.000 1.917 1036 A HA -0.112 4.212 4.320 0.008 0.000 0.219 1036 A C 2.227 179.774 177.584 -0.062 0.000 1.182 1036 A CA 1.706 53.710 52.037 -0.055 0.000 0.633 1036 A CB -0.708 18.260 19.000 -0.053 0.000 0.819 1036 A HN 0.509 nan 8.150 nan 0.000 0.448 1037 L N 0.148 121.297 121.223 -0.122 0.000 1.955 1037 L HA -0.197 4.148 4.340 0.008 0.000 0.213 1037 L C 2.680 179.510 176.870 -0.067 0.000 1.072 1037 L CA 1.910 56.667 54.840 -0.137 0.000 0.755 1037 L CB -0.504 41.328 42.059 -0.378 0.000 0.888 1037 L HN 0.582 nan 8.230 nan 0.000 0.432 1038 S N -0.327 115.295 115.700 -0.131 0.000 2.710 1038 S HA 0.156 4.630 4.470 0.008 0.000 0.224 1038 S C 1.320 175.950 174.600 0.050 0.000 0.948 1038 S CA 0.141 58.388 58.200 0.078 0.000 0.949 1038 S CB -0.228 63.067 63.200 0.158 0.000 0.778 1038 S HN 0.567 nan 8.310 nan 0.000 0.498 1039 G N 1.851 110.660 108.800 0.014 0.000 2.390 1039 G HA2 -0.251 3.714 3.960 0.008 0.000 0.299 1039 G HA3 -0.251 3.714 3.960 0.008 0.000 0.299 1039 G C -0.321 174.586 174.900 0.011 0.000 1.002 1039 G CA 0.089 45.197 45.100 0.013 0.000 0.979 1039 G HN 0.585 nan 8.290 nan 0.000 0.513 1040 N N -0.054 118.647 118.700 0.002 0.000 2.321 1040 N HA 0.317 5.062 4.740 0.008 0.000 0.299 1040 N C -0.287 175.213 175.510 -0.018 0.000 1.048 1040 N CA -0.615 52.435 53.050 0.000 0.000 0.836 1040 N CB 1.575 40.071 38.487 0.015 0.000 1.269 1040 N HN 0.471 nan 8.380 nan 0.000 0.486 1041 E N 0.504 120.688 120.200 -0.027 0.000 2.366 1041 E HA 0.189 4.544 4.350 0.008 0.000 0.266 1041 E C 0.148 176.716 176.600 -0.053 0.000 1.015 1041 E CA -0.406 55.965 56.400 -0.048 0.000 0.906 1041 E CB 0.475 30.137 29.700 -0.063 0.000 0.979 1041 E HN 0.600 nan 8.360 nan 0.000 0.443 1042 G N 3.780 112.543 108.800 -0.061 0.000 2.364 1042 G HA2 0.012 3.977 3.960 0.008 0.000 0.267 1042 G HA3 0.012 3.977 3.960 0.008 0.000 0.267 1042 G C -0.446 174.390 174.900 -0.107 0.000 1.233 1042 G CA -0.438 44.630 45.100 -0.055 0.000 0.885 1042 G HN 0.569 nan 8.290 nan 0.000 0.490 1043 D N 1.863 122.210 120.400 -0.087 0.000 2.500 1043 D HA 0.392 5.037 4.640 0.008 0.000 0.219 1043 D C 0.829 176.994 176.300 -0.225 0.000 1.137 1043 D CA -0.486 53.425 54.000 -0.150 0.000 0.946 1043 D CB 0.544 41.287 40.800 -0.096 0.000 1.022 1043 D HN 0.345 nan 8.370 nan 0.000 0.518 1044 A N 2.893 125.411 122.820 -0.503 0.000 3.163 1044 A HA 0.292 4.617 4.320 0.008 0.000 0.283 1044 A C 0.595 177.669 177.584 -0.850 0.000 1.412 1044 A CA -0.521 50.755 52.037 -1.268 0.000 1.053 1044 A CB -0.223 17.798 19.000 -1.633 0.000 1.082 1044 A HN 0.373 nan 8.150 nan 0.000 0.639 1045 S N 1.519 116.982 115.700 -0.394 0.000 2.564 1045 S HA 0.264 4.739 4.470 0.008 0.000 0.278 1045 S C -1.425 173.109 174.600 -0.110 0.000 1.333 1045 S CA -0.835 57.221 58.200 -0.240 0.000 1.048 1045 S CB 0.912 64.008 63.200 -0.173 0.000 0.900 1045 S HN 0.358 nan 8.310 nan 0.000 0.505 1046 P HA -0.137 nan 4.420 nan 0.000 0.212 1046 P C -0.121 177.037 177.300 -0.237 0.000 0.907 1046 P CA 1.168 64.058 63.100 -0.351 0.000 0.993 1046 P CB -0.024 31.187 31.700 -0.814 0.000 0.646 1047 F N 0.038 120.147 119.950 0.266 0.000 2.600 1047 F HA 0.235 4.767 4.527 0.008 0.000 0.345 1047 F C 1.142 177.107 175.800 0.275 0.000 1.271 1047 F CA -0.202 57.942 58.000 0.240 0.000 1.138 1047 F CB -1.234 37.887 39.000 0.201 0.000 1.449 1047 F HN 0.002 nan 8.300 nan 0.000 0.645 1048 T N -2.749 112.003 114.554 0.330 0.000 2.804 1048 T HA 0.297 4.652 4.350 0.008 0.000 0.290 1048 T C -0.123 174.717 174.700 0.234 0.000 1.099 1048 T CA -0.941 61.328 62.100 0.283 0.000 1.011 1048 T CB 2.034 71.049 68.868 0.245 0.000 1.291 1048 T HN 0.140 nan 8.240 nan 0.000 0.523 1049 D N 0.491 121.004 120.400 0.189 0.000 2.460 1049 D HA 0.321 4.965 4.640 0.008 0.000 0.229 1049 D C -0.075 176.308 176.300 0.138 0.000 1.170 1049 D CA -0.142 53.948 54.000 0.151 0.000 0.827 1049 D CB -0.203 40.669 40.800 0.121 0.000 0.973 1049 D HN 0.483 nan 8.370 nan 0.000 0.496 1050 I N 1.249 121.921 120.570 0.169 0.000 2.379 1050 I HA 0.025 4.200 4.170 0.008 0.000 0.290 1050 I C 0.689 176.853 176.117 0.078 0.000 1.063 1050 I CA 0.293 61.679 61.300 0.143 0.000 1.351 1050 I CB 0.942 39.074 38.000 0.220 0.000 1.410 1050 I HN -0.270 nan 8.210 nan 0.000 0.505 1051 T N 5.362 119.942 114.554 0.044 0.000 2.934 1051 T HA 0.168 4.523 4.350 0.008 0.000 0.283 1051 T C 1.201 175.873 174.700 -0.046 0.000 1.005 1051 T CA -0.576 61.527 62.100 0.005 0.000 1.041 1051 T CB 2.435 71.323 68.868 0.032 0.000 1.042 1051 T HN 0.307 nan 8.240 nan 0.000 0.505 1052 V N 1.467 121.338 119.914 -0.072 0.000 2.809 1052 V HA -0.064 4.061 4.120 0.008 0.000 0.256 1052 V C 2.284 178.372 176.094 -0.009 0.000 1.080 1052 V CA 1.453 63.706 62.300 -0.077 0.000 1.102 1052 V CB -0.447 31.325 31.823 -0.085 0.000 0.705 1052 V HN 0.716 nan 8.190 nan 0.000 0.475 1053 E N 0.685 120.890 120.200 0.009 0.000 2.004 1053 E HA -0.089 4.266 4.350 0.008 0.000 0.192 1053 E C 2.389 179.011 176.600 0.037 0.000 0.987 1053 E CA 1.304 57.721 56.400 0.029 0.000 0.822 1053 E CB -1.083 28.637 29.700 0.032 0.000 0.779 1053 E HN 0.477 nan 8.360 nan 0.000 0.458 1054 G N 1.887 110.710 108.800 0.038 0.000 2.661 1054 G HA2 -0.302 3.663 3.960 0.008 0.000 0.224 1054 G HA3 -0.302 3.663 3.960 0.008 0.000 0.224 1054 G C 1.714 176.646 174.900 0.053 0.000 1.114 1054 G CA 1.408 46.537 45.100 0.047 0.000 0.751 1054 G HN 0.202 nan 8.290 nan 0.000 0.609 1055 I N 0.425 121.022 120.570 0.044 0.000 2.235 1055 I HA -0.116 4.059 4.170 0.008 0.000 0.241 1055 I C 2.962 179.115 176.117 0.060 0.000 1.085 1055 I CA 1.192 62.521 61.300 0.049 0.000 1.378 1055 I CB -0.364 37.655 38.000 0.032 0.000 1.076 1055 I HN 0.112 nan 8.210 nan 0.000 0.415 1056 S N 0.761 116.495 115.700 0.056 0.000 2.400 1056 S HA -0.198 4.277 4.470 0.008 0.000 0.232 1056 S C 1.907 176.555 174.600 0.081 0.000 1.025 1056 S CA 1.315 59.559 58.200 0.073 0.000 0.993 1056 S CB -0.245 62.999 63.200 0.073 0.000 0.808 1056 S HN 0.365 nan 8.310 nan 0.000 0.478 1057 K N 0.816 121.258 120.400 0.071 0.000 2.057 1057 K HA 0.064 4.389 4.320 0.008 0.000 0.206 1057 K C 1.986 178.639 176.600 0.088 0.000 1.050 1057 K CA 0.870 57.199 56.287 0.070 0.000 0.935 1057 K CB -0.267 32.267 32.500 0.057 0.000 0.715 1057 K HN 0.314 nan 8.250 nan 0.000 0.439 1058 L N 0.567 121.851 121.223 0.101 0.000 2.056 1058 L HA -0.160 4.184 4.340 0.008 0.000 0.207 1058 L C 2.433 179.439 176.870 0.226 0.000 1.078 1058 L CA 0.622 55.550 54.840 0.147 0.000 0.749 1058 L CB -0.480 41.660 42.059 0.135 0.000 0.901 1058 L HN 0.190 nan 8.230 nan 0.000 0.433 1059 L N 0.398 121.723 121.223 0.171 0.000 2.131 1059 L HA -0.190 4.155 4.340 0.008 0.000 0.210 1059 L C 2.666 179.684 176.870 0.247 0.000 1.092 1059 L CA 1.568 56.526 54.840 0.195 0.000 0.759 1059 L CB -0.571 41.553 42.059 0.108 0.000 0.903 1059 L HN 0.102 nan 8.230 nan 0.000 0.435 1060 R N 0.476 121.079 120.500 0.172 0.000 2.066 1060 R HA -0.130 4.215 4.340 0.008 0.000 0.232 1060 R C 2.067 178.431 176.300 0.107 0.000 1.131 1060 R CA 1.851 58.032 56.100 0.137 0.000 0.955 1060 R CB -0.686 29.669 30.300 0.092 0.000 0.851 1060 R HN 0.533 nan 8.270 nan 0.000 0.432 1061 E N -0.530 119.721 120.200 0.085 0.000 2.333 1061 E HA -0.202 4.153 4.350 0.008 0.000 0.200 1061 E C 0.791 177.348 176.600 -0.071 0.000 1.010 1061 E CA 0.907 57.306 56.400 -0.001 0.000 0.841 1061 E CB -0.144 29.544 29.700 -0.020 0.000 0.757 1061 E HN 0.521 nan 8.360 nan 0.000 0.508 1062 H N -0.807 118.301 119.070 0.063 0.000 2.519 1062 H HA 0.128 4.689 4.556 0.008 0.000 0.289 1062 H C 1.091 176.421 175.328 0.003 0.000 1.040 1062 H CA 0.616 56.711 56.048 0.079 0.000 1.165 1062 H CB 0.615 30.479 29.762 0.170 0.000 1.462 1062 H HN 0.294 nan 8.280 nan 0.000 0.555 1063 G N 0.786 109.599 108.800 0.022 0.000 2.179 1063 G HA2 -0.305 3.660 3.960 0.008 0.000 0.257 1063 G HA3 -0.305 3.660 3.960 0.008 0.000 0.257 1063 G C -0.354 174.407 174.900 -0.230 0.000 1.010 1063 G CA 0.278 45.302 45.100 -0.127 0.000 0.736 1063 G HN 0.438 nan 8.290 nan 0.000 0.513 1064 Y N -1.018 119.327 120.300 0.076 0.000 2.485 1064 Y HA 0.539 5.094 4.550 0.008 0.000 0.345 1064 Y C 0.521 176.459 175.900 0.064 0.000 0.998 1064 Y CA -1.029 57.107 58.100 0.061 0.000 1.059 1064 Y CB 1.392 39.884 38.460 0.055 0.000 1.234 1064 Y HN 0.235 nan 8.280 nan 0.000 0.461 1065 Q N 1.222 121.178 119.800 0.260 0.000 2.269 1065 Q HA -0.021 4.323 4.340 0.008 0.000 0.300 1065 Q C 0.734 176.846 176.000 0.186 0.000 1.070 1065 Q CA 0.666 56.581 55.803 0.186 0.000 0.957 1065 Q CB 0.974 29.828 28.738 0.193 0.000 1.131 1065 Q HN 0.704 nan 8.270 nan 0.000 0.377 1066 S N 3.663 119.454 115.700 0.151 0.000 2.711 1066 S HA -0.057 4.418 4.470 0.008 0.000 0.237 1066 S C 0.575 175.268 174.600 0.156 0.000 0.971 1066 S CA 0.449 58.732 58.200 0.137 0.000 0.964 1066 S CB -0.057 63.207 63.200 0.107 0.000 0.775 1066 S HN 0.698 nan 8.310 nan 0.000 0.540 1067 R N -0.726 119.906 120.500 0.220 0.000 2.513 1067 R HA 0.351 4.695 4.340 0.008 0.000 0.245 1067 R C 1.579 177.997 176.300 0.198 0.000 0.908 1067 R CA 0.686 56.954 56.100 0.280 0.000 1.023 1067 R CB -0.040 30.539 30.300 0.465 0.000 1.338 1067 R HN 0.549 nan 8.270 nan 0.000 0.575 1068 G N 0.525 109.358 108.800 0.054 0.000 2.260 1068 G HA2 -0.195 3.770 3.960 0.008 0.000 0.179 1068 G HA3 -0.195 3.770 3.960 0.008 0.000 0.179 1068 G C -0.079 174.661 174.900 -0.267 0.000 1.002 1068 G CA -0.589 44.300 45.100 -0.352 0.000 0.677 1068 G HN 0.095 nan 8.290 nan 0.000 0.486 1069 F N 1.596 121.568 119.950 0.037 0.000 2.410 1069 F HA 0.633 5.165 4.527 0.008 0.000 0.334 1069 F C 0.912 176.731 175.800 0.032 0.000 1.134 1069 F CA 0.153 58.194 58.000 0.067 0.000 1.227 1069 F CB 0.806 39.858 39.000 0.088 0.000 1.194 1069 F HN 0.044 nan 8.300 nan 0.000 0.571 1070 E N 0.623 120.946 120.200 0.206 0.000 2.343 1070 E HA 0.233 4.588 4.350 0.008 0.000 0.288 1070 E C -1.432 175.182 176.600 0.023 0.000 0.907 1070 E CA -0.718 55.738 56.400 0.094 0.000 0.792 1070 E CB 2.185 31.880 29.700 -0.008 0.000 1.275 1070 E HN 0.200 nan 8.360 nan 0.000 0.402 1071 V N 3.950 123.861 119.914 -0.005 0.000 2.752 1071 V HA -0.066 4.059 4.120 0.008 0.000 0.306 1071 V C 0.329 176.308 176.094 -0.192 0.000 1.099 1071 V CA 1.104 63.332 62.300 -0.119 0.000 1.240 1071 V CB -0.036 31.695 31.823 -0.153 0.000 0.887 1071 V HN 0.679 nan 8.190 nan 0.000 0.499 1072 M N 4.622 124.038 119.600 -0.307 0.000 2.501 1072 M HA 0.485 4.970 4.480 0.008 0.000 0.293 1072 M C -1.723 174.261 176.300 -0.525 0.000 1.192 1072 M CA -0.581 54.532 55.300 -0.311 0.000 0.886 1072 M CB 2.643 35.124 32.600 -0.199 0.000 1.710 1072 M HN 0.535 nan 8.290 nan 0.000 0.457 1073 Y N 0.761 120.653 120.300 -0.680 0.000 2.360 1073 Y HA 0.313 4.867 4.550 0.008 0.000 0.337 1073 Y C 0.498 175.887 175.900 -0.851 0.000 1.039 1073 Y CA -1.217 56.370 58.100 -0.854 0.000 1.109 1073 Y CB 0.589 38.351 38.460 -1.163 0.000 1.201 1073 Y HN 0.548 nan 8.280 nan 0.000 0.458 1074 N N 1.849 120.417 118.700 -0.221 0.000 2.434 1074 N HA -0.042 4.703 4.740 0.008 0.000 0.268 1074 N C 1.197 176.748 175.510 0.069 0.000 1.256 1074 N CA 0.793 53.828 53.050 -0.025 0.000 0.914 1074 N CB 1.280 39.758 38.487 -0.014 0.000 1.088 1074 N HN 1.041 nan 8.380 nan 0.000 0.478 1075 G N 3.764 112.689 108.800 0.209 0.000 2.505 1075 G HA2 -0.311 3.654 3.960 0.008 0.000 0.220 1075 G HA3 -0.311 3.654 3.960 0.008 0.000 0.220 1075 G C 1.102 176.214 174.900 0.354 0.000 1.145 1075 G CA 1.001 46.325 45.100 0.373 0.000 0.761 1075 G HN 0.731 nan 8.290 nan 0.000 0.571 1076 H N 0.149 119.276 119.070 0.096 0.000 2.267 1076 H HA -0.022 4.539 4.556 0.008 0.000 0.297 1076 H C 2.915 178.279 175.328 0.060 0.000 1.080 1076 H CA 1.759 57.827 56.048 0.032 0.000 1.278 1076 H CB -1.059 28.682 29.762 -0.035 0.000 1.365 1076 H HN 0.276 nan 8.280 nan 0.000 0.489 1077 T N -1.312 113.366 114.554 0.207 0.000 2.978 1077 T HA 0.147 4.502 4.350 0.008 0.000 0.262 1077 T C 1.747 176.543 174.700 0.160 0.000 1.063 1077 T CA 1.363 63.547 62.100 0.141 0.000 1.140 1077 T CB -0.329 68.594 68.868 0.092 0.000 0.886 1077 T HN 0.716 nan 8.240 nan 0.000 0.470 1078 G N 1.544 110.477 108.800 0.221 0.000 2.253 1078 G HA2 -0.288 3.676 3.960 0.008 0.000 0.251 1078 G HA3 -0.288 3.676 3.960 0.008 0.000 0.251 1078 G C 0.324 175.383 174.900 0.265 0.000 0.998 1078 G CA 0.627 45.911 45.100 0.308 0.000 0.621 1078 G HN 0.585 nan 8.290 nan 0.000 0.524 1079 K N 0.915 121.417 120.400 0.169 0.000 2.156 1079 K HA 0.425 4.749 4.320 0.008 0.000 0.242 1079 K C 0.690 177.358 176.600 0.113 0.000 1.033 1079 K CA -0.087 56.286 56.287 0.144 0.000 0.878 1079 K CB 0.201 32.740 32.500 0.065 0.000 1.057 1079 K HN 0.260 nan 8.250 nan 0.000 0.505 1080 K N 1.155 121.549 120.400 -0.009 0.000 2.098 1080 K HA 0.253 4.577 4.320 0.008 0.000 0.257 1080 K C -0.453 176.017 176.600 -0.217 0.000 0.999 1080 K CA -0.481 55.617 56.287 -0.315 0.000 0.924 1080 K CB 0.728 33.022 32.500 -0.343 0.000 1.028 1080 K HN 0.376 nan 8.250 nan 0.000 0.466 1081 L N 3.175 124.232 121.223 -0.277 0.000 2.265 1081 L HA 0.118 4.463 4.340 0.008 0.000 0.288 1081 L C 1.188 177.986 176.870 -0.119 0.000 1.058 1081 L CA -0.419 54.332 54.840 -0.148 0.000 0.809 1081 L CB 1.043 43.029 42.059 -0.123 0.000 1.179 1081 L HN 0.719 nan 8.230 nan 0.000 0.429 1082 M N 3.703 123.259 119.600 -0.073 0.000 2.426 1082 M HA -0.077 4.407 4.480 0.008 0.000 0.261 1082 M C 0.480 176.753 176.300 -0.045 0.000 1.068 1082 M CA 0.959 56.225 55.300 -0.056 0.000 1.066 1082 M CB -0.279 32.300 32.600 -0.035 0.000 1.399 1082 M HN 0.525 nan 8.290 nan 0.000 0.449 1083 A N 0.258 123.060 122.820 -0.030 0.000 2.311 1083 A HA 0.621 4.945 4.320 0.008 0.000 0.306 1083 A C -0.531 177.071 177.584 0.029 0.000 1.189 1083 A CA -0.882 51.156 52.037 0.001 0.000 0.791 1083 A CB 0.529 19.545 19.000 0.026 0.000 1.172 1083 A HN 0.370 nan 8.150 nan 0.000 0.481 1084 Q N 0.677 120.505 119.800 0.047 0.000 2.474 1084 Q HA 0.516 4.861 4.340 0.008 0.000 0.256 1084 Q C -0.459 175.727 176.000 0.311 0.000 1.048 1084 Q CA 0.854 56.734 55.803 0.129 0.000 0.922 1084 Q CB 0.571 29.384 28.738 0.124 0.000 1.288 1084 Q HN 0.670 nan 8.270 nan 0.000 0.484 1085 I N 0.546 121.282 120.570 0.276 0.000 2.646 1085 I HA 0.285 4.460 4.170 0.008 0.000 0.299 1085 I C -0.762 175.422 176.117 0.112 0.000 1.036 1085 I CA -1.102 60.331 61.300 0.222 0.000 1.074 1085 I CB 1.278 39.364 38.000 0.144 0.000 1.258 1085 I HN 0.480 nan 8.210 nan 0.000 0.430 1086 F N 5.608 125.415 119.950 -0.240 0.000 2.494 1086 F HA 0.264 4.796 4.527 0.008 0.000 0.369 1086 F C -0.810 174.931 175.800 -0.099 0.000 1.098 1086 F CA 0.077 57.854 58.000 -0.372 0.000 1.154 1086 F CB -0.079 38.669 39.000 -0.419 0.000 1.103 1086 F HN 0.157 nan 8.300 nan 0.000 0.549 1087 F N 4.657 124.296 119.950 -0.519 0.000 2.539 1087 F HA 0.721 5.253 4.527 0.008 0.000 0.318 1087 F C -0.131 175.383 175.800 -0.475 0.000 1.135 1087 F CA -0.254 57.525 58.000 -0.369 0.000 0.915 1087 F CB 1.519 40.386 39.000 -0.222 0.000 1.176 1087 F HN 0.589 nan 8.300 nan 0.000 0.440 1088 G N 4.849 113.322 108.800 -0.545 0.000 2.441 1088 G HA2 0.444 4.408 3.960 0.008 0.000 0.294 1088 G HA3 0.444 4.408 3.960 0.008 0.000 0.294 1088 G C -3.521 171.179 174.900 -0.334 0.000 1.393 1088 G CA -1.007 43.873 45.100 -0.367 0.000 0.796 1088 G HN 0.286 nan 8.290 nan 0.000 0.494 1089 P HA 0.500 nan 4.420 nan 0.000 0.294 1089 P C -0.994 176.277 177.300 -0.050 0.000 1.294 1089 P CA -0.144 62.877 63.100 -0.132 0.000 0.827 1089 P CB 1.851 33.501 31.700 -0.084 0.000 0.992 1090 T N 2.337 116.893 114.554 0.003 0.000 2.991 1090 T HA 0.168 4.523 4.350 0.008 0.000 0.303 1090 T C -0.878 173.981 174.700 0.264 0.000 1.015 1090 T CA -0.306 61.868 62.100 0.123 0.000 1.007 1090 T CB 0.546 69.502 68.868 0.147 0.000 1.034 1090 T HN 0.203 nan 8.240 nan 0.000 0.446 1091 Y N 3.279 123.653 120.300 0.123 0.000 2.677 1091 Y HA 0.268 4.823 4.550 0.008 0.000 0.335 1091 Y C -0.897 175.146 175.900 0.239 0.000 1.162 1091 Y CA 0.186 58.378 58.100 0.153 0.000 1.483 1091 Y CB -0.021 38.476 38.460 0.061 0.000 1.209 1091 Y HN 0.554 nan 8.280 nan 0.000 0.528 1092 Y N 3.863 124.067 120.300 -0.161 0.000 2.409 1092 Y HA 0.364 4.919 4.550 0.008 0.000 0.343 1092 Y C -0.281 175.650 175.900 0.052 0.000 0.973 1092 Y CA -1.120 56.997 58.100 0.029 0.000 1.064 1092 Y CB 1.603 40.154 38.460 0.152 0.000 1.207 1092 Y HN 0.485 nan 8.280 nan 0.000 0.452 1093 Q N 2.844 122.682 119.800 0.064 0.000 2.222 1093 Q HA 0.445 4.789 4.340 0.008 0.000 0.252 1093 Q C -0.479 175.520 176.000 -0.003 0.000 0.926 1093 Q CA -1.001 54.843 55.803 0.068 0.000 0.899 1093 Q CB 1.920 30.677 28.738 0.032 0.000 1.250 1093 Q HN 0.460 nan 8.270 nan 0.000 0.441 1094 R N 2.962 123.427 120.500 -0.058 0.000 2.278 1094 R HA 0.289 4.633 4.340 0.008 0.000 0.322 1094 R C -0.817 175.310 176.300 -0.289 0.000 1.058 1094 R CA -0.251 55.659 56.100 -0.318 0.000 0.991 1094 R CB 0.056 30.247 30.300 -0.181 0.000 1.140 1094 R HN 0.580 nan 8.270 nan 0.000 0.518 1095 L N 4.447 125.454 121.223 -0.360 0.000 2.452 1095 L HA 0.282 4.626 4.340 0.008 0.000 0.267 1095 L C 1.122 177.824 176.870 -0.279 0.000 1.188 1095 L CA -0.329 54.357 54.840 -0.257 0.000 0.821 1095 L CB 0.371 42.304 42.059 -0.211 0.000 1.102 1095 L HN 0.568 nan 8.230 nan 0.000 0.470 1096 R N 0.630 120.981 120.500 -0.249 0.000 2.652 1096 R HA 0.302 4.647 4.340 0.008 0.000 0.272 1096 R C -0.837 175.318 176.300 -0.242 0.000 1.162 1096 R CA -0.618 55.314 56.100 -0.279 0.000 1.199 1096 R CB 0.348 30.446 30.300 -0.337 0.000 1.166 1096 R HN 0.659 nan 8.270 nan 0.000 0.597 1097 H N -0.612 118.346 119.070 -0.186 0.000 3.685 1097 H HA -0.076 4.484 4.556 0.007 0.000 0.369 1097 H C -1.297 173.917 175.328 -0.190 0.000 1.080 1097 H CA 0.477 56.422 56.048 -0.171 0.000 1.157 1097 H CB -1.081 28.587 29.762 -0.158 0.000 1.461 1097 H HN 0.617 nan 8.280 nan 0.000 0.387 1098 M N 2.493 122.049 119.600 -0.073 0.000 2.311 1098 M HA 0.266 4.751 4.480 0.008 0.000 0.325 1098 M C 1.829 178.079 176.300 -0.083 0.000 1.061 1098 M CA -0.838 54.393 55.300 -0.115 0.000 0.957 1098 M CB 2.319 34.825 32.600 -0.157 0.000 1.646 1098 M HN 0.137 nan 8.290 nan 0.000 0.434 1099 V N 1.699 121.571 119.914 -0.071 0.000 2.243 1099 V HA -0.391 3.734 4.120 0.008 0.000 0.258 1099 V C 1.583 177.649 176.094 -0.047 0.000 1.073 1099 V CA 2.498 64.768 62.300 -0.051 0.000 1.069 1099 V CB -0.531 31.269 31.823 -0.039 0.000 0.681 1099 V HN 0.907 nan 8.190 nan 0.000 0.457 1100 D N -0.363 120.006 120.400 -0.052 0.000 2.203 1100 D HA -0.158 4.487 4.640 0.008 0.000 0.199 1100 D C 1.686 177.954 176.300 -0.052 0.000 0.997 1100 D CA 1.397 55.368 54.000 -0.047 0.000 0.863 1100 D CB -0.427 40.341 40.800 -0.053 0.000 0.928 1100 D HN 0.544 nan 8.370 nan 0.000 0.458 1101 D N -0.544 119.810 120.400 -0.076 0.000 2.363 1101 D HA -0.008 4.637 4.640 0.008 0.000 0.226 1101 D C 1.454 177.735 176.300 -0.030 0.000 1.020 1101 D CA 0.507 54.462 54.000 -0.075 0.000 0.892 1101 D CB 0.244 40.977 40.800 -0.113 0.000 0.900 1101 D HN 0.317 nan 8.370 nan 0.000 0.531 1102 K N -0.369 120.018 120.400 -0.022 0.000 2.474 1102 K HA 0.228 4.552 4.320 0.008 0.000 0.202 1102 K C 1.495 178.110 176.600 0.025 0.000 1.248 1102 K CA -0.081 56.202 56.287 -0.006 0.000 0.946 1102 K CB 0.747 33.228 32.500 -0.032 0.000 1.102 1102 K HN 0.020 nan 8.250 nan 0.000 0.541 1103 I N 2.702 123.279 120.570 0.013 0.000 3.292 1103 I HA -0.223 3.952 4.170 0.008 0.000 0.309 1103 I C 0.813 176.958 176.117 0.047 0.000 1.258 1103 I CA 0.426 61.736 61.300 0.017 0.000 1.339 1103 I CB -1.912 36.088 38.000 0.001 0.000 1.062 1103 I HN 0.208 nan 8.210 nan 0.000 0.579 1104 H N 2.602 121.662 119.070 -0.018 0.000 3.144 1104 H HA 0.214 4.774 4.556 0.007 0.000 0.336 1104 H C -0.017 175.307 175.328 -0.008 0.000 1.065 1104 H CA 0.215 56.256 56.048 -0.011 0.000 1.338 1104 H CB 0.464 30.220 29.762 -0.009 0.000 1.251 1104 H HN 0.377 nan 8.280 nan 0.000 0.602 1105 A N 5.349 127.699 122.820 -0.783 0.000 2.495 1105 A HA 0.354 4.678 4.320 0.008 0.000 0.297 1105 A C -0.547 176.766 177.584 -0.451 0.000 1.036 1105 A CA -0.663 51.016 52.037 -0.597 0.000 0.982 1105 A CB 0.642 19.503 19.000 -0.233 0.000 1.476 1105 A HN 0.824 nan 8.150 nan 0.000 0.393 1106 R N 1.846 122.087 120.500 -0.432 0.000 2.668 1106 R HA 0.833 5.178 4.340 0.008 0.000 0.279 1106 R C -0.357 175.902 176.300 -0.068 0.000 0.976 1106 R CA 0.043 56.077 56.100 -0.111 0.000 0.978 1106 R CB 1.711 32.047 30.300 0.060 0.000 1.133 1106 R HN 1.301 nan 8.270 nan 0.000 0.484 1107 A N 4.409 127.210 122.820 -0.032 0.000 3.370 1107 A HA 0.255 4.579 4.320 0.008 0.000 0.295 1107 A C -0.848 176.724 177.584 -0.020 0.000 1.030 1107 A CA -0.497 51.522 52.037 -0.031 0.000 0.883 1107 A CB 0.011 18.991 19.000 -0.034 0.000 1.191 1107 A HN 0.964 nan 8.150 nan 0.000 0.507 1108 R N -0.703 119.788 120.500 -0.015 0.000 2.022 1108 R HA -0.084 4.260 4.340 0.008 0.000 0.372 1108 R C -0.039 176.259 176.300 -0.003 0.000 1.161 1108 R CA 0.968 57.060 56.100 -0.013 0.000 0.928 1108 R CB -1.608 28.677 30.300 -0.025 0.000 2.817 1108 R HN 1.461 nan 8.270 nan 0.000 0.489 1109 G N 3.335 112.140 108.800 0.008 0.000 3.356 1109 G HA2 0.714 4.679 3.960 0.008 0.000 0.178 1109 G HA3 0.714 4.679 3.960 0.008 0.000 0.178 1109 G C -2.376 172.528 174.900 0.007 0.000 1.130 1109 G CA -0.279 44.829 45.100 0.014 0.000 0.800 1109 G HN 0.600 nan 8.290 nan 0.000 0.669 1110 P HA 0.380 nan 4.420 nan 0.000 0.279 1110 P C -0.855 176.443 177.300 -0.004 0.000 1.239 1110 P CA 0.110 63.212 63.100 0.003 0.000 0.789 1110 P CB 1.525 33.230 31.700 0.009 0.000 0.933 1111 M N 1.183 120.772 119.600 -0.018 0.000 2.598 1111 M HA 0.311 4.795 4.480 0.008 0.000 0.317 1111 M C 0.410 176.694 176.300 -0.026 0.000 1.179 1111 M CA -0.904 54.382 55.300 -0.023 0.000 0.936 1111 M CB 2.113 34.687 32.600 -0.042 0.000 1.713 1111 M HN 0.379 nan 8.290 nan 0.000 0.460 1112 Q N 0.626 120.417 119.800 -0.016 0.000 2.361 1112 Q HA 0.073 4.417 4.340 0.008 0.000 0.276 1112 Q C 0.901 176.884 176.000 -0.028 0.000 1.022 1112 Q CA -0.224 55.573 55.803 -0.009 0.000 0.898 1112 Q CB 1.222 29.966 28.738 0.011 0.000 1.246 1112 Q HN 0.557 nan 8.270 nan 0.000 0.410 1113 V N 3.488 123.387 119.914 -0.024 0.000 2.548 1113 V HA -0.214 3.911 4.120 0.008 0.000 0.249 1113 V C 1.698 177.781 176.094 -0.018 0.000 1.055 1113 V CA 1.199 63.472 62.300 -0.046 0.000 1.065 1113 V CB -0.418 31.387 31.823 -0.029 0.000 0.681 1113 V HN 0.679 nan 8.190 nan 0.000 0.462 1114 L N 0.295 121.540 121.223 0.037 0.000 2.109 1114 L HA -0.045 4.300 4.340 0.008 0.000 0.207 1114 L C 2.083 179.094 176.870 0.236 0.000 1.086 1114 L CA 2.332 57.235 54.840 0.106 0.000 0.760 1114 L CB -0.519 41.581 42.059 0.069 0.000 0.910 1114 L HN 0.359 nan 8.230 nan 0.000 0.437 1115 T N -1.723 112.939 114.554 0.180 0.000 3.010 1115 T HA 0.204 4.559 4.350 0.008 0.000 0.257 1115 T C 0.639 175.514 174.700 0.292 0.000 1.020 1115 T CA -0.165 62.094 62.100 0.264 0.000 0.938 1115 T CB 0.211 69.146 68.868 0.112 0.000 1.049 1115 T HN 0.249 nan 8.240 nan 0.000 0.522 1116 R N 0.817 121.342 120.500 0.041 0.000 3.770 1116 R HA -0.152 4.192 4.340 0.008 0.000 0.305 1116 R C -0.314 175.974 176.300 -0.019 0.000 1.184 1116 R CA 0.534 56.569 56.100 -0.108 0.000 0.823 1116 R CB -1.848 28.238 30.300 -0.357 0.000 1.285 1116 R HN 0.504 nan 8.270 nan 0.000 0.499 1117 Q N -0.028 119.784 119.800 0.020 0.000 2.306 1117 Q HA 0.379 4.724 4.340 0.008 0.000 0.265 1117 Q C -2.406 173.599 176.000 0.008 0.000 1.022 1117 Q CA -2.338 53.477 55.803 0.020 0.000 0.853 1117 Q CB 1.867 30.626 28.738 0.036 0.000 1.327 1117 Q HN -0.168 nan 8.270 nan 0.000 0.449 1118 P HA -0.156 nan 4.420 nan 0.000 0.266 1118 P C -0.750 176.560 177.300 0.016 0.000 1.180 1118 P CA 0.205 63.312 63.100 0.012 0.000 0.765 1118 P CB 0.321 32.033 31.700 0.021 0.000 0.806 1119 V N 0.164 120.086 119.914 0.013 0.000 3.083 1119 V HA 0.339 4.463 4.120 0.008 0.000 0.306 1119 V C 0.331 176.426 176.094 0.002 0.000 1.077 1119 V CA -0.498 61.806 62.300 0.006 0.000 1.073 1119 V CB 0.767 32.590 31.823 0.000 0.000 1.081 1119 V HN 0.501 nan 8.190 nan 0.000 0.474 1120 E N 1.079 121.275 120.200 -0.007 0.000 2.312 1120 E HA 0.553 4.907 4.350 0.008 0.000 0.259 1120 E C 0.368 176.936 176.600 -0.054 0.000 1.122 1120 E CA 0.162 56.551 56.400 -0.019 0.000 0.922 1120 E CB 1.135 30.829 29.700 -0.009 0.000 1.109 1120 E HN 1.811 nan 8.360 nan 0.000 0.442 1121 G N 1.300 110.054 108.800 -0.077 0.000 2.825 1121 G HA2 -0.293 3.672 3.960 0.008 0.000 0.684 1121 G HA3 -0.293 3.672 3.960 0.008 0.000 0.684 1121 G C 0.271 175.013 174.900 -0.262 0.000 1.528 1121 G CA 0.286 45.312 45.100 -0.124 0.000 0.963 1121 G HN 0.766 nan 8.290 nan 0.000 0.577 1122 R N -0.378 119.921 120.500 -0.335 0.000 2.237 1122 R HA 0.208 4.553 4.340 0.008 0.000 0.195 1122 R C 2.554 178.718 176.300 -0.228 0.000 0.956 1122 R CA 1.446 57.209 56.100 -0.561 0.000 1.029 1122 R CB -0.308 29.677 30.300 -0.524 0.000 0.972 1122 R HN 0.947 nan 8.270 nan 0.000 0.493 1123 S N 1.171 116.799 115.700 -0.120 0.000 2.442 1123 S HA -0.074 4.400 4.470 0.008 0.000 0.236 1123 S C 1.652 176.231 174.600 -0.035 0.000 1.007 1123 S CA 0.677 58.852 58.200 -0.043 0.000 0.965 1123 S CB -0.176 63.016 63.200 -0.013 0.000 0.773 1123 S HN 0.469 nan 8.310 nan 0.000 0.504 1124 R N 0.669 121.130 120.500 -0.065 0.000 2.397 1124 R HA 0.201 4.546 4.340 0.008 0.000 0.241 1124 R C -0.309 175.970 176.300 -0.035 0.000 0.914 1124 R CA 0.468 56.546 56.100 -0.037 0.000 1.071 1124 R CB 0.037 30.318 30.300 -0.032 0.000 1.116 1124 R HN 0.359 nan 8.270 nan 0.000 0.524 1125 D N 0.594 120.950 120.400 -0.074 0.000 2.760 1125 D HA -0.109 4.536 4.640 0.008 0.000 0.244 1125 D C 0.042 176.367 176.300 0.042 0.000 1.123 1125 D CA 0.958 54.971 54.000 0.022 0.000 0.719 1125 D CB -1.060 39.778 40.800 0.063 0.000 1.045 1125 D HN 0.384 nan 8.370 nan 0.000 0.426 1126 G N -0.555 108.207 108.800 -0.062 0.000 2.574 1126 G HA2 0.742 4.707 3.960 0.008 0.000 0.248 1126 G HA3 0.742 4.707 3.960 0.008 0.000 0.248 1126 G C 0.504 175.508 174.900 0.174 0.000 1.422 1126 G CA -0.076 45.037 45.100 0.021 0.000 1.051 1126 G HN 0.594 nan 8.290 nan 0.000 0.560 1127 G N -1.721 107.155 108.800 0.126 0.000 2.537 1127 G HA2 0.557 4.522 3.960 0.008 0.000 0.308 1127 G HA3 0.557 4.522 3.960 0.008 0.000 0.308 1127 G C -0.934 174.050 174.900 0.140 0.000 1.237 1127 G CA -0.810 44.377 45.100 0.145 0.000 0.968 1127 G HN 0.507 nan 8.290 nan 0.000 0.481 1128 L N 0.157 121.459 121.223 0.131 0.000 2.375 1128 L HA 0.458 4.802 4.340 0.008 0.000 0.271 1128 L C 0.774 177.717 176.870 0.120 0.000 1.107 1128 L CA -0.948 53.965 54.840 0.122 0.000 0.806 1128 L CB 1.320 43.447 42.059 0.113 0.000 1.146 1128 L HN 0.454 nan 8.230 nan 0.000 0.447 1129 R N 1.849 122.409 120.500 0.100 0.000 2.351 1129 R HA 0.036 4.380 4.340 0.008 0.000 0.318 1129 R C -0.624 175.758 176.300 0.136 0.000 1.055 1129 R CA 0.312 56.471 56.100 0.098 0.000 0.968 1129 R CB -0.073 30.256 30.300 0.049 0.000 0.974 1129 R HN 0.398 nan 8.270 nan 0.000 0.439 1130 F N 5.339 125.302 119.950 0.023 0.000 2.899 1130 F HA 0.447 4.979 4.527 0.008 0.000 0.308 1130 F C 0.738 176.554 175.800 0.027 0.000 1.221 1130 F CA -0.439 57.581 58.000 0.033 0.000 1.265 1130 F CB 0.041 39.059 39.000 0.031 0.000 1.253 1130 F HN 0.709 nan 8.300 nan 0.000 0.534 1131 G N 1.022 109.794 108.800 -0.046 0.000 2.661 1131 G HA2 -0.069 3.896 3.960 0.008 0.000 0.272 1131 G HA3 -0.069 3.896 3.960 0.008 0.000 0.272 1131 G C 0.969 175.798 174.900 -0.118 0.000 1.296 1131 G CA -0.213 44.857 45.100 -0.050 0.000 0.998 1131 G HN 0.445 nan 8.290 nan 0.000 0.553 1132 E N -0.836 119.328 120.200 -0.059 0.000 2.082 1132 E HA -0.298 4.057 4.350 0.008 0.000 0.215 1132 E C 2.527 179.068 176.600 -0.099 0.000 1.048 1132 E CA 1.963 58.331 56.400 -0.054 0.000 0.869 1132 E CB -0.229 29.450 29.700 -0.035 0.000 0.773 1132 E HN 0.517 nan 8.360 nan 0.000 0.466 1133 M N 0.332 119.866 119.600 -0.110 0.000 2.082 1133 M HA -0.240 4.244 4.480 0.008 0.000 0.258 1133 M C 2.007 178.199 176.300 -0.180 0.000 1.069 1133 M CA 1.729 56.957 55.300 -0.120 0.000 1.102 1133 M CB -0.028 32.511 32.600 -0.101 0.000 1.336 1133 M HN -0.025 nan 8.290 nan 0.000 0.404 1134 E N -0.511 119.499 120.200 -0.317 0.000 2.077 1134 E HA -0.189 4.166 4.350 0.008 0.000 0.193 1134 E C 1.884 178.227 176.600 -0.429 0.000 0.989 1134 E CA 1.078 57.181 56.400 -0.496 0.000 0.800 1134 E CB -0.415 28.674 29.700 -1.019 0.000 0.746 1134 E HN 0.384 nan 8.360 nan 0.000 0.452 1135 R N 0.869 121.150 120.500 -0.364 0.000 2.082 1135 R HA -0.193 4.151 4.340 0.008 0.000 0.234 1135 R C 1.362 177.677 176.300 0.025 0.000 1.136 1135 R CA 1.971 58.068 56.100 -0.007 0.000 0.935 1135 R CB -0.341 29.995 30.300 0.061 0.000 0.842 1135 R HN 0.175 nan 8.270 nan 0.000 0.430 1136 D N 0.318 120.700 120.400 -0.031 0.000 2.149 1136 D HA -0.214 4.431 4.640 0.008 0.000 0.194 1136 D C 2.034 178.310 176.300 -0.039 0.000 1.001 1136 D CA 1.550 55.534 54.000 -0.027 0.000 0.849 1136 D CB -0.610 40.162 40.800 -0.047 0.000 0.939 1136 D HN 0.377 nan 8.370 nan 0.000 0.449 1137 C N 0.742 120.007 119.300 -0.058 0.000 2.432 1137 C HA -0.117 4.348 4.460 0.008 0.000 0.277 1137 C C 2.771 177.748 174.990 -0.022 0.000 1.249 1137 C CA 0.370 59.336 59.018 -0.087 0.000 1.725 1137 C CB -0.700 27.011 27.740 -0.049 0.000 2.028 1137 C HN 0.340 nan 8.230 nan 0.000 0.477 1138 M N 0.722 120.399 119.600 0.128 0.000 2.117 1138 M HA -0.071 4.414 4.480 0.008 0.000 0.262 1138 M C 1.986 178.382 176.300 0.161 0.000 1.065 1138 M CA 1.568 57.010 55.300 0.237 0.000 1.114 1138 M CB -1.374 31.474 32.600 0.413 0.000 1.361 1138 M HN 0.377 nan 8.290 nan 0.000 0.408 1139 I N 0.124 120.758 120.570 0.107 0.000 2.208 1139 I HA -0.272 3.902 4.170 0.008 0.000 0.245 1139 I C 2.509 178.639 176.117 0.022 0.000 1.097 1139 I CA 1.293 62.634 61.300 0.070 0.000 1.363 1139 I CB -0.707 37.320 38.000 0.046 0.000 1.051 1139 I HN 0.227 nan 8.210 nan 0.000 0.413 1140 A N -0.181 122.610 122.820 -0.047 0.000 1.972 1140 A HA -0.221 4.104 4.320 0.008 0.000 0.219 1140 A C 2.028 179.528 177.584 -0.140 0.000 1.169 1140 A CA 1.488 53.450 52.037 -0.125 0.000 0.635 1140 A CB -0.795 18.073 19.000 -0.220 0.000 0.810 1140 A HN 0.447 nan 8.150 nan 0.000 0.446 1141 H N -1.036 118.031 119.070 -0.004 0.000 2.547 1141 H HA 0.169 4.730 4.556 0.008 0.000 0.266 1141 H C 1.770 177.094 175.328 -0.006 0.000 0.988 1141 H CA 0.493 56.530 56.048 -0.019 0.000 1.147 1141 H CB -0.209 29.524 29.762 -0.047 0.000 1.365 1141 H HN 0.606 nan 8.280 nan 0.000 0.589 1142 G N 0.803 109.666 108.800 0.104 0.000 2.187 1142 G HA2 -0.302 3.662 3.960 0.008 0.000 0.261 1142 G HA3 -0.302 3.662 3.960 0.008 0.000 0.261 1142 G C 0.634 175.587 174.900 0.088 0.000 1.000 1142 G CA 0.439 45.586 45.100 0.078 0.000 0.718 1142 G HN 0.631 nan 8.290 nan 0.000 0.519 1143 A N -0.174 122.716 122.820 0.116 0.000 3.078 1143 A HA 0.817 5.142 4.320 0.008 0.000 0.279 1143 A C 1.742 179.423 177.584 0.161 0.000 1.594 1143 A CA 0.947 53.052 52.037 0.113 0.000 1.301 1143 A CB -0.280 18.758 19.000 0.064 0.000 1.162 1143 A HN 1.711 nan 8.150 nan 0.000 0.585 1144 A N 1.029 123.920 122.820 0.118 0.000 1.873 1144 A HA -0.135 4.189 4.320 0.008 0.000 0.218 1144 A C 2.504 180.155 177.584 0.112 0.000 1.193 1144 A CA 2.398 54.500 52.037 0.107 0.000 0.629 1144 A CB -0.883 18.160 19.000 0.071 0.000 0.826 1144 A HN 0.595 nan 8.150 nan 0.000 0.447 1145 S N -1.367 114.394 115.700 0.102 0.000 2.359 1145 S HA -0.193 4.282 4.470 0.008 0.000 0.223 1145 S C 1.664 176.317 174.600 0.089 0.000 1.039 1145 S CA 1.698 59.946 58.200 0.080 0.000 1.042 1145 S CB -0.587 62.655 63.200 0.070 0.000 0.915 1145 S HN 0.620 nan 8.310 nan 0.000 0.439 1146 F N 2.070 122.017 119.950 -0.004 0.000 2.063 1146 F HA -0.195 4.337 4.527 0.008 0.000 0.298 1146 F C 2.008 177.782 175.800 -0.043 0.000 1.109 1146 F CA 1.512 59.498 58.000 -0.024 0.000 1.212 1146 F CB -0.578 38.420 39.000 -0.003 0.000 0.973 1146 F HN 0.135 nan 8.300 nan 0.000 0.480 1147 L N 0.616 121.944 121.223 0.175 0.000 1.978 1147 L HA -0.357 3.988 4.340 0.008 0.000 0.218 1147 L C 2.763 179.565 176.870 -0.113 0.000 1.075 1147 L CA 2.394 57.273 54.840 0.064 0.000 0.767 1147 L CB -0.756 41.412 42.059 0.182 0.000 0.890 1147 L HN 0.264 nan 8.230 nan 0.000 0.434 1148 K N -0.047 120.322 120.400 -0.053 0.000 2.044 1148 K HA -0.305 4.019 4.320 0.008 0.000 0.210 1148 K C 1.987 178.497 176.600 -0.150 0.000 1.049 1148 K CA 2.176 58.422 56.287 -0.067 0.000 0.927 1148 K CB -0.263 32.222 32.500 -0.025 0.000 0.713 1148 K HN 0.352 nan 8.250 nan 0.000 0.443 1149 E N -0.108 119.967 120.200 -0.210 0.000 2.204 1149 E HA -0.197 4.158 4.350 0.008 0.000 0.195 1149 E C 2.025 178.390 176.600 -0.392 0.000 0.990 1149 E CA 0.754 56.993 56.400 -0.269 0.000 0.821 1149 E CB 0.218 29.755 29.700 -0.271 0.000 0.750 1149 E HN 0.203 nan 8.360 nan 0.000 0.477 1150 R N -0.168 119.988 120.500 -0.574 0.000 2.066 1150 R HA -0.007 4.337 4.340 0.008 0.000 0.224 1150 R C 1.860 177.909 176.300 -0.419 0.000 1.122 1150 R CA 0.483 56.170 56.100 -0.688 0.000 0.974 1150 R CB -0.292 29.296 30.300 -1.188 0.000 0.871 1150 R HN 0.175 nan 8.270 nan 0.000 0.435 1151 L N -0.001 121.057 121.223 -0.275 0.000 2.627 1151 L HA 0.146 4.491 4.340 0.008 0.000 0.233 1151 L C 1.473 178.292 176.870 -0.087 0.000 1.144 1151 L CA 0.880 55.647 54.840 -0.122 0.000 0.892 1151 L CB -0.281 41.756 42.059 -0.036 0.000 1.039 1151 L HN 0.111 nan 8.230 nan 0.000 0.442 1152 M N -1.947 117.582 119.600 -0.117 0.000 2.144 1152 M HA 0.097 4.582 4.480 0.008 0.000 0.178 1152 M C 1.502 177.751 176.300 -0.084 0.000 1.932 1152 M CA 0.287 55.543 55.300 -0.073 0.000 1.017 1152 M CB -0.013 32.553 32.600 -0.056 0.000 1.497 1152 M HN -0.015 nan 8.290 nan 0.000 0.614 1153 E N 1.440 121.575 120.200 -0.109 0.000 2.284 1153 E HA -0.053 4.302 4.350 0.008 0.000 0.200 1153 E C 0.305 176.841 176.600 -0.106 0.000 1.008 1153 E CA 0.862 57.198 56.400 -0.107 0.000 0.829 1153 E CB -0.058 29.572 29.700 -0.117 0.000 0.744 1153 E HN 0.352 nan 8.360 nan 0.000 0.491 1154 A N 0.946 123.689 122.820 -0.129 0.000 2.311 1154 A HA 0.558 4.882 4.320 0.008 0.000 0.306 1154 A C 0.115 177.641 177.584 -0.096 0.000 1.189 1154 A CA 0.056 52.022 52.037 -0.119 0.000 0.791 1154 A CB 0.756 19.656 19.000 -0.167 0.000 1.172 1154 A HN 0.219 nan 8.150 nan 0.000 0.481 1155 S N 2.257 117.921 115.700 -0.060 0.000 3.864 1155 S HA -0.172 4.303 4.470 0.008 0.000 0.633 1155 S C -0.532 174.057 174.600 -0.018 0.000 2.048 1155 S CA 0.349 58.530 58.200 -0.033 0.000 2.651 1155 S CB -1.765 61.418 63.200 -0.028 0.000 0.315 1155 S HN 1.043 nan 8.310 nan 0.000 1.413 1156 D N 2.928 123.334 120.400 0.010 0.000 2.752 1156 D HA 0.443 5.088 4.640 0.008 0.000 0.225 1156 D C 0.284 176.614 176.300 0.050 0.000 1.104 1156 D CA 1.958 55.990 54.000 0.053 0.000 0.832 1156 D CB 0.105 40.950 40.800 0.075 0.000 1.161 1156 D HN 1.468 nan 8.370 nan 0.000 0.505 1157 A N 2.526 125.400 122.820 0.090 0.000 2.500 1157 A HA 0.513 4.837 4.320 0.008 0.000 0.291 1157 A C -1.574 176.139 177.584 0.214 0.000 1.048 1157 A CA -0.774 51.315 52.037 0.087 0.000 0.791 1157 A CB 1.120 20.123 19.000 0.005 0.000 1.309 1157 A HN 0.267 nan 8.150 nan 0.000 0.397 1158 F N 2.342 122.310 119.950 0.030 0.000 2.650 1158 F HA 0.650 5.182 4.527 0.008 0.000 0.310 1158 F C -1.060 174.796 175.800 0.093 0.000 1.112 1158 F CA -0.901 57.135 58.000 0.060 0.000 0.986 1158 F CB 1.491 40.577 39.000 0.145 0.000 1.285 1158 F HN 0.649 nan 8.300 nan 0.000 0.440 1159 R N 4.933 125.368 120.500 -0.109 0.000 2.338 1159 R HA 0.747 5.091 4.340 0.008 0.000 0.317 1159 R C -2.034 173.779 176.300 -0.812 0.000 0.968 1159 R CA -0.310 55.620 56.100 -0.282 0.000 0.849 1159 R CB 1.404 31.688 30.300 -0.026 0.000 1.128 1159 R HN 0.562 nan 8.270 nan 0.000 0.448 1160 V N 4.372 123.864 119.914 -0.704 0.000 2.769 1160 V HA 0.400 4.525 4.120 0.008 0.000 0.312 1160 V C -0.389 175.390 176.094 -0.524 0.000 1.061 1160 V CA -0.895 61.022 62.300 -0.638 0.000 0.931 1160 V CB 2.173 33.715 31.823 -0.469 0.000 1.010 1160 V HN 0.728 nan 8.190 nan 0.000 0.433 1161 H N 3.896 122.872 119.070 -0.157 0.000 2.459 1161 H HA 0.643 5.204 4.556 0.008 0.000 0.332 1161 H C -0.705 174.546 175.328 -0.128 0.000 1.094 1161 H CA -0.202 55.752 56.048 -0.157 0.000 1.224 1161 H CB 1.835 31.498 29.762 -0.166 0.000 1.449 1161 H HN 0.439 nan 8.280 nan 0.000 0.484 1162 I N 1.202 121.765 120.570 -0.011 0.000 2.740 1162 I HA 0.133 4.308 4.170 0.008 0.000 0.303 1162 I C 0.291 176.386 176.117 -0.036 0.000 1.044 1162 I CA -0.945 60.329 61.300 -0.044 0.000 1.064 1162 I CB 2.365 40.311 38.000 -0.091 0.000 1.249 1162 I HN 0.464 nan 8.210 nan 0.000 0.433 1163 C N 3.908 123.171 119.300 -0.061 0.000 2.555 1163 C HA 0.328 4.793 4.460 0.008 0.000 0.385 1163 C C 1.750 176.721 174.990 -0.033 0.000 1.296 1163 C CA -0.299 58.691 59.018 -0.047 0.000 1.757 1163 C CB -0.785 26.927 27.740 -0.048 0.000 2.445 1163 C HN 1.037 nan 8.230 nan 0.000 0.571 1164 G N 4.892 113.726 108.800 0.057 0.000 2.843 1164 G HA2 -0.006 3.959 3.960 0.008 0.000 0.205 1164 G HA3 -0.006 3.959 3.960 0.008 0.000 0.205 1164 G C 0.920 175.886 174.900 0.110 0.000 1.160 1164 G CA 0.666 45.869 45.100 0.171 0.000 0.819 1164 G HN 0.874 nan 8.290 nan 0.000 0.516 1165 I N -0.817 119.779 120.570 0.042 0.000 4.033 1165 I HA 0.111 4.286 4.170 0.008 0.000 0.296 1165 I C 0.382 176.549 176.117 0.083 0.000 1.210 1165 I CA 0.138 61.498 61.300 0.100 0.000 1.341 1165 I CB 0.849 38.890 38.000 0.069 0.000 1.369 1165 I HN 0.209 nan 8.210 nan 0.000 0.453 1166 C N 1.443 120.723 119.300 -0.035 0.000 2.409 1166 C HA 0.647 5.112 4.460 0.008 0.000 0.297 1166 C C 1.291 176.150 174.990 -0.218 0.000 1.083 1166 C CA -1.174 57.805 59.018 -0.065 0.000 1.515 1166 C CB -0.661 27.067 27.740 -0.020 0.000 1.869 1166 C HN 0.532 nan 8.230 nan 0.000 0.413 1167 G N 3.476 111.973 108.800 -0.505 0.000 2.801 1167 G HA2 0.143 4.108 3.960 0.008 0.000 0.246 1167 G HA3 0.143 4.108 3.960 0.008 0.000 0.246 1167 G C 0.057 174.768 174.900 -0.315 0.000 0.760 1167 G CA 0.349 45.121 45.100 -0.545 0.000 1.934 1167 G HN 0.849 nan 8.290 nan 0.000 0.568 1168 L N -0.426 120.678 121.223 -0.198 0.000 2.334 1168 L HA 0.389 4.734 4.340 0.008 0.000 0.273 1168 L C 0.996 177.817 176.870 -0.081 0.000 1.013 1168 L CA -0.973 53.788 54.840 -0.131 0.000 0.816 1168 L CB 1.948 43.958 42.059 -0.082 0.000 1.278 1168 L HN 0.128 nan 8.230 nan 0.000 0.431 1169 M N 1.894 121.467 119.600 -0.044 0.000 3.700 1169 M HA 0.058 4.543 4.480 0.008 0.000 0.190 1169 M C 0.039 176.354 176.300 0.026 0.000 1.422 1169 M CA 0.242 55.541 55.300 -0.002 0.000 1.646 1169 M CB -0.905 31.716 32.600 0.034 0.000 1.154 1169 M HN 0.526 nan 8.290 nan 0.000 0.506 1170 T N -0.473 114.087 114.554 0.011 0.000 3.243 1170 T HA 0.226 4.580 4.350 0.008 0.000 0.264 1170 T C 0.303 175.023 174.700 0.034 0.000 1.000 1170 T CA -0.057 62.058 62.100 0.025 0.000 0.901 1170 T CB 0.096 68.970 68.868 0.010 0.000 1.083 1170 T HN 0.150 nan 8.240 nan 0.000 0.559 1171 V N 2.570 122.510 119.914 0.044 0.000 2.333 1171 V HA 0.362 4.487 4.120 0.008 0.000 0.274 1171 V C 0.381 176.534 176.094 0.098 0.000 1.028 1171 V CA -1.002 61.328 62.300 0.050 0.000 0.851 1171 V CB 0.915 32.739 31.823 0.001 0.000 1.000 1171 V HN 0.507 nan 8.190 nan 0.000 0.456 1172 I N 4.790 125.423 120.570 0.104 0.000 2.671 1172 I HA 0.110 4.285 4.170 0.008 0.000 0.285 1172 I C 1.026 177.242 176.117 0.165 0.000 1.148 1172 I CA 0.381 61.752 61.300 0.118 0.000 1.386 1172 I CB 0.655 38.707 38.000 0.086 0.000 1.406 1172 I HN 0.699 nan 8.210 nan 0.000 0.540 1173 A N 8.247 131.168 122.820 0.168 0.000 2.343 1173 A HA 0.317 4.641 4.320 0.008 0.000 0.305 1173 A C 0.126 177.752 177.584 0.070 0.000 1.308 1173 A CA -0.481 51.658 52.037 0.171 0.000 0.949 1173 A CB -0.123 19.020 19.000 0.239 0.000 1.148 1173 A HN 0.702 nan 8.150 nan 0.000 0.545 1174 K N 3.895 124.255 120.400 -0.067 0.000 2.499 1174 K HA 0.316 4.640 4.320 0.008 0.000 0.215 1174 K C -1.131 175.310 176.600 -0.265 0.000 1.041 1174 K CA -0.118 56.101 56.287 -0.113 0.000 1.031 1174 K CB 0.989 33.454 32.500 -0.059 0.000 1.479 1174 K HN 0.662 nan 8.250 nan 0.000 0.518 1175 L N 3.234 124.353 121.223 -0.173 0.000 2.404 1175 L HA 0.158 4.502 4.340 0.008 0.000 0.277 1175 L C 0.586 177.309 176.870 -0.245 0.000 1.184 1175 L CA -0.028 54.706 54.840 -0.177 0.000 1.013 1175 L CB -0.495 41.549 42.059 -0.025 0.000 1.318 1175 L HN 0.691 nan 8.230 nan 0.000 0.435 1176 N N -0.782 117.702 118.700 -0.359 0.000 2.482 1176 N HA -0.101 4.644 4.740 0.008 0.000 0.317 1176 N C 0.835 176.085 175.510 -0.433 0.000 1.084 1176 N CA 0.076 52.864 53.050 -0.437 0.000 1.911 1176 N CB 0.147 38.240 38.487 -0.656 0.000 2.221 1176 N HN 0.478 nan 8.380 nan 0.000 1.173 1177 H N 1.636 120.619 119.070 -0.146 0.000 2.542 1177 H HA 0.364 4.924 4.556 0.008 0.000 0.283 1177 H C 0.125 175.321 175.328 -0.220 0.000 1.059 1177 H CA -0.189 55.772 56.048 -0.146 0.000 1.162 1177 H CB 0.046 29.733 29.762 -0.124 0.000 1.539 1177 H HN 0.184 nan 8.280 nan 0.000 0.543 1178 N N 1.461 120.001 118.700 -0.266 0.000 2.627 1178 N HA -0.220 4.525 4.740 0.008 0.000 0.248 1178 N C -0.243 174.898 175.510 -0.615 0.000 1.173 1178 N CA 0.771 53.559 53.050 -0.435 0.000 0.741 1178 N CB -0.795 37.570 38.487 -0.204 0.000 1.128 1178 N HN 0.624 nan 8.380 nan 0.000 0.562 1179 Q N -0.858 118.657 119.800 -0.475 0.000 2.286 1179 Q HA 0.351 4.695 4.340 0.008 0.000 0.257 1179 Q C 0.537 176.227 176.000 -0.517 0.000 0.941 1179 Q CA 0.148 55.747 55.803 -0.340 0.000 0.912 1179 Q CB 0.605 29.275 28.738 -0.113 0.000 1.192 1179 Q HN 0.242 nan 8.270 nan 0.000 0.410 1180 F N 0.585 120.503 119.950 -0.052 0.000 2.129 1180 F HA 0.180 4.711 4.527 0.008 0.000 0.234 1180 F C -0.054 175.716 175.800 -0.049 0.000 1.092 1180 F CA -0.502 57.448 58.000 -0.082 0.000 1.242 1180 F CB 0.648 39.575 39.000 -0.122 0.000 1.604 1180 F HN 0.520 nan 8.300 nan 0.000 0.527 1181 E N -1.086 119.226 120.200 0.187 0.000 8.699 1181 E HA -0.256 4.099 4.350 0.008 0.000 0.471 1181 E C -0.744 175.897 176.600 0.069 0.000 1.169 1181 E CA 0.326 56.780 56.400 0.090 0.000 2.050 1181 E CB -0.862 28.874 29.700 0.060 0.000 1.006 1181 E HN 0.541 nan 8.360 nan 0.000 0.262 1182 C N 1.228 120.552 119.300 0.040 0.000 4.111 1182 C HA 0.201 4.666 4.460 0.008 0.000 0.443 1182 C C -0.984 174.020 174.990 0.023 0.000 1.586 1182 C CA 0.958 59.992 59.018 0.026 0.000 2.085 1182 C CB -0.551 27.195 27.740 0.010 0.000 3.126 1182 C HN 0.852 nan 8.230 nan 0.000 0.684 1183 K N 0.609 121.023 120.400 0.023 0.000 6.706 1183 K HA 0.126 4.450 4.320 0.008 0.000 0.669 1183 K C 0.797 177.407 176.600 0.016 0.000 2.465 1183 K CA 1.287 57.585 56.287 0.020 0.000 1.801 1183 K CB -1.772 30.741 32.500 0.021 0.000 1.883 1183 K HN 1.764 nan 8.250 nan 0.000 0.285 1184 G N 0.735 109.544 108.800 0.014 0.000 2.358 1184 G HA2 -0.395 3.570 3.960 0.008 0.000 0.224 1184 G HA3 -0.395 3.570 3.960 0.008 0.000 0.224 1184 G C 1.346 176.254 174.900 0.013 0.000 1.073 1184 G CA 0.188 45.296 45.100 0.013 0.000 0.635 1184 G HN 0.991 nan 8.290 nan 0.000 0.509 1185 C N 0.425 119.733 119.300 0.013 0.000 2.558 1185 C HA 0.397 4.862 4.460 0.008 0.000 0.288 1185 C C 1.136 176.134 174.990 0.015 0.000 1.338 1185 C CA 1.123 60.150 59.018 0.014 0.000 1.760 1185 C CB -0.606 27.141 27.740 0.011 0.000 2.159 1185 C HN 0.661 nan 8.230 nan 0.000 0.518 1186 D N 1.612 122.021 120.400 0.014 0.000 2.739 1186 D HA -0.118 4.526 4.640 0.008 0.000 0.240 1186 D C -0.705 175.603 176.300 0.014 0.000 1.114 1186 D CA 0.533 54.542 54.000 0.014 0.000 0.695 1186 D CB -1.477 39.330 40.800 0.013 0.000 1.078 1186 D HN 0.528 nan 8.370 nan 0.000 0.434 1187 N N 0.619 119.328 118.700 0.014 0.000 2.444 1187 N HA 0.209 4.954 4.740 0.008 0.000 0.262 1187 N C 0.873 176.395 175.510 0.020 0.000 0.974 1187 N CA -0.094 52.961 53.050 0.009 0.000 0.933 1187 N CB 1.191 39.676 38.487 -0.002 0.000 1.137 1187 N HN 0.147 nan 8.380 nan 0.000 0.498 1188 K N 2.282 122.695 120.400 0.022 0.000 2.477 1188 K HA 0.373 4.697 4.320 0.008 0.000 0.208 1188 K C 0.751 177.379 176.600 0.046 0.000 1.117 1188 K CA 0.137 56.453 56.287 0.049 0.000 1.039 1188 K CB 1.159 33.680 32.500 0.036 0.000 0.937 1188 K HN 0.432 nan 8.250 nan 0.000 0.570 1189 I N -0.762 119.809 120.570 0.002 0.000 4.399 1189 I HA 0.044 4.219 4.170 0.008 0.000 0.301 1189 I C -0.063 175.992 176.117 -0.103 0.000 1.198 1189 I CA -0.067 61.218 61.300 -0.026 0.000 1.315 1189 I CB 0.704 38.692 38.000 -0.019 0.000 1.452 1189 I HN -0.092 nan 8.210 nan 0.000 0.457 1190 D N 2.860 123.203 120.400 -0.095 0.000 2.483 1190 D HA 0.459 5.104 4.640 0.008 0.000 0.220 1190 D C -0.610 175.570 176.300 -0.201 0.000 1.173 1190 D CA 0.459 54.370 54.000 -0.148 0.000 0.964 1190 D CB 0.099 40.878 40.800 -0.034 0.000 1.046 1190 D HN 0.094 nan 8.370 nan 0.000 0.517 1191 I N 2.608 122.936 120.570 -0.404 0.000 2.722 1191 I HA 0.332 4.507 4.170 0.008 0.000 0.295 1191 I C -1.047 174.700 176.117 -0.615 0.000 1.161 1191 I CA -0.965 60.100 61.300 -0.393 0.000 1.032 1191 I CB 1.752 39.502 38.000 -0.418 0.000 1.244 1191 I HN 0.145 nan 8.210 nan 0.000 0.421 1192 Y N 2.633 122.823 120.300 -0.184 0.000 2.602 1192 Y HA 0.505 5.060 4.550 0.008 0.000 0.342 1192 Y C -0.309 175.508 175.900 -0.140 0.000 1.029 1192 Y CA -0.680 57.326 58.100 -0.157 0.000 1.080 1192 Y CB 1.870 40.248 38.460 -0.136 0.000 1.284 1192 Y HN 0.389 nan 8.280 nan 0.000 0.485 1193 Q N 3.640 123.459 119.800 0.033 0.000 2.330 1193 Q HA 0.687 5.032 4.340 0.008 0.000 0.269 1193 Q C -1.479 174.378 176.000 -0.238 0.000 1.022 1193 Q CA -0.661 55.067 55.803 -0.125 0.000 0.796 1193 Q CB 1.785 30.472 28.738 -0.084 0.000 1.271 1193 Q HN 0.794 nan 8.270 nan 0.000 0.450 1194 I N -0.612 119.768 120.570 -0.316 0.000 3.206 1194 I HA 0.584 4.759 4.170 0.008 0.000 0.313 1194 I C -1.198 174.697 176.117 -0.371 0.000 1.103 1194 I CA -1.123 59.969 61.300 -0.346 0.000 0.985 1194 I CB 2.415 40.306 38.000 -0.183 0.000 1.240 1194 I HN 0.552 nan 8.210 nan 0.000 0.464 1195 H N 3.680 122.703 119.070 -0.078 0.000 2.708 1195 H HA 0.711 5.272 4.556 0.008 0.000 0.320 1195 H C -0.748 174.560 175.328 -0.033 0.000 0.991 1195 H CA -0.540 55.471 56.048 -0.062 0.000 1.243 1195 H CB 1.493 31.233 29.762 -0.036 0.000 1.446 1195 H HN 0.739 nan 8.280 nan 0.000 0.502 1196 I N 0.086 120.718 120.570 0.103 0.000 3.006 1196 I HA 0.566 4.741 4.170 0.008 0.000 0.306 1196 I C -2.922 173.261 176.117 0.109 0.000 1.250 1196 I CA -2.743 58.601 61.300 0.073 0.000 0.996 1196 I CB 3.323 41.349 38.000 0.044 0.000 1.261 1196 I HN 0.113 nan 8.210 nan 0.000 0.442 1197 P HA -0.046 nan 4.420 nan 0.000 0.267 1197 P C -0.008 177.376 177.300 0.140 0.000 1.209 1197 P CA 0.288 63.441 63.100 0.087 0.000 0.763 1197 P CB 0.486 32.194 31.700 0.012 0.000 0.816 1198 Y N 5.563 125.937 120.300 0.123 0.000 2.102 1198 Y HA -0.334 4.221 4.550 0.008 0.000 0.280 1198 Y C 2.459 178.383 175.900 0.040 0.000 1.178 1198 Y CA 2.611 60.798 58.100 0.146 0.000 1.146 1198 Y CB -1.181 37.256 38.460 -0.037 0.000 0.968 1198 Y HN 0.490 nan 8.280 nan 0.000 0.504 1199 A N 0.247 123.023 122.820 -0.073 0.000 1.986 1199 A HA -0.200 4.125 4.320 0.008 0.000 0.220 1199 A C 2.456 179.877 177.584 -0.272 0.000 1.171 1199 A CA 2.295 54.220 52.037 -0.186 0.000 0.640 1199 A CB -1.524 17.435 19.000 -0.069 0.000 0.811 1199 A HN 0.668 nan 8.150 nan 0.000 0.451 1200 A N -0.112 122.550 122.820 -0.263 0.000 1.841 1200 A HA -0.132 4.193 4.320 0.008 0.000 0.214 1200 A C 2.149 179.405 177.584 -0.546 0.000 1.195 1200 A CA 1.915 53.665 52.037 -0.479 0.000 0.611 1200 A CB -0.550 18.185 19.000 -0.443 0.000 0.835 1200 A HN 0.416 nan 8.150 nan 0.000 0.443 1201 K N 0.056 120.298 120.400 -0.264 0.000 2.144 1201 K HA -0.196 4.129 4.320 0.008 0.000 0.209 1201 K C 1.872 178.391 176.600 -0.134 0.000 1.047 1201 K CA 1.898 58.151 56.287 -0.057 0.000 0.927 1201 K CB -0.532 32.081 32.500 0.187 0.000 0.716 1201 K HN 0.518 nan 8.250 nan 0.000 0.454 1202 L N 0.565 121.574 121.223 -0.356 0.000 2.072 1202 L HA -0.188 4.156 4.340 0.008 0.000 0.205 1202 L C 2.638 179.418 176.870 -0.150 0.000 1.079 1202 L CA 0.644 55.302 54.840 -0.303 0.000 0.752 1202 L CB -0.355 41.443 42.059 -0.434 0.000 0.906 1202 L HN 0.208 nan 8.230 nan 0.000 0.436 1203 L N -0.347 120.755 121.223 -0.202 0.000 1.970 1203 L HA -0.258 4.087 4.340 0.008 0.000 0.212 1203 L C 2.276 179.178 176.870 0.054 0.000 1.071 1203 L CA 1.925 56.694 54.840 -0.119 0.000 0.751 1203 L CB -0.825 41.094 42.059 -0.233 0.000 0.889 1203 L HN 0.067 nan 8.230 nan 0.000 0.432 1204 F N -0.174 119.749 119.950 -0.045 0.000 2.015 1204 F HA -0.377 4.155 4.527 0.008 0.000 0.297 1204 F C 2.695 178.479 175.800 -0.027 0.000 1.141 1204 F CA 1.560 59.540 58.000 -0.033 0.000 1.192 1204 F CB -0.670 38.308 39.000 -0.036 0.000 0.957 1204 F HN 0.226 nan 8.300 nan 0.000 0.491 1205 Q N 0.251 120.163 119.800 0.188 0.000 2.096 1205 Q HA -0.284 4.061 4.340 0.008 0.000 0.208 1205 Q C 1.943 177.983 176.000 0.067 0.000 0.993 1205 Q CA 2.059 57.920 55.803 0.098 0.000 0.862 1205 Q CB -0.501 28.280 28.738 0.071 0.000 0.915 1205 Q HN 0.561 nan 8.270 nan 0.000 0.416 1206 E N 0.594 120.824 120.200 0.050 0.000 2.085 1206 E HA -0.175 4.180 4.350 0.008 0.000 0.194 1206 E C 2.089 178.717 176.600 0.046 0.000 0.994 1206 E CA 0.830 57.250 56.400 0.033 0.000 0.801 1206 E CB -0.068 29.638 29.700 0.010 0.000 0.743 1206 E HN 0.296 nan 8.360 nan 0.000 0.453 1207 L N 0.055 121.322 121.223 0.073 0.000 1.970 1207 L HA -0.265 4.080 4.340 0.008 0.000 0.212 1207 L C 2.594 179.492 176.870 0.046 0.000 1.071 1207 L CA 1.360 56.240 54.840 0.068 0.000 0.751 1207 L CB -0.401 41.721 42.059 0.104 0.000 0.889 1207 L HN 0.281 nan 8.230 nan 0.000 0.432 1208 M N -0.527 119.101 119.600 0.046 0.000 2.108 1208 M HA -0.253 4.232 4.480 0.008 0.000 0.257 1208 M C 2.302 178.618 176.300 0.027 0.000 1.071 1208 M CA 2.083 57.400 55.300 0.028 0.000 1.093 1208 M CB -0.613 32.003 32.600 0.027 0.000 1.345 1208 M HN 0.328 nan 8.290 nan 0.000 0.403 1209 A N -0.555 122.285 122.820 0.032 0.000 2.186 1209 A HA -0.087 4.238 4.320 0.008 0.000 0.219 1209 A C 1.871 179.470 177.584 0.024 0.000 1.159 1209 A CA 1.237 53.291 52.037 0.028 0.000 0.680 1209 A CB -0.627 18.391 19.000 0.029 0.000 0.787 1209 A HN 0.550 nan 8.150 nan 0.000 0.467 1210 M N -1.254 118.361 119.600 0.024 0.000 2.484 1210 M HA 0.135 4.619 4.480 0.008 0.000 0.307 1210 M C 0.814 177.125 176.300 0.018 0.000 1.149 1210 M CA 0.003 55.316 55.300 0.021 0.000 0.972 1210 M CB 0.114 32.728 32.600 0.023 0.000 1.400 1210 M HN 0.623 nan 8.290 nan 0.000 0.508 1211 N N 1.032 119.743 118.700 0.018 0.000 2.967 1211 N HA -0.176 4.568 4.740 0.008 0.000 0.218 1211 N C -0.222 175.294 175.510 0.011 0.000 0.870 1211 N CA 0.708 53.767 53.050 0.014 0.000 1.030 1211 N CB -0.834 37.660 38.487 0.013 0.000 1.027 1211 N HN 0.390 nan 8.380 nan 0.000 0.603 1212 I N 2.004 122.582 120.570 0.013 0.000 2.696 1212 I HA 0.041 4.216 4.170 0.008 0.000 0.284 1212 I C 1.003 177.119 176.117 -0.002 0.000 1.129 1212 I CA 0.526 61.832 61.300 0.009 0.000 1.410 1212 I CB 0.978 38.988 38.000 0.017 0.000 1.399 1212 I HN 0.183 nan 8.210 nan 0.000 0.579 1213 T N 2.947 117.492 114.554 -0.014 0.000 2.801 1213 T HA 0.414 4.768 4.350 0.008 0.000 0.306 1213 T C -2.115 172.539 174.700 -0.077 0.000 1.020 1213 T CA -1.711 60.366 62.100 -0.038 0.000 0.948 1213 T CB 1.037 69.890 68.868 -0.025 0.000 0.962 1213 T HN 0.424 nan 8.240 nan 0.000 0.465 1214 P HA 0.266 nan 4.420 nan 0.000 0.226 1214 P C -0.396 176.688 177.300 -0.359 0.000 1.832 1214 P CA -0.676 62.239 63.100 -0.309 0.000 1.092 1214 P CB 0.260 31.659 31.700 -0.501 0.000 1.873 1215 R N 2.999 123.380 120.500 -0.198 0.000 2.343 1215 R HA 0.293 4.637 4.340 0.008 0.000 0.326 1215 R C 0.268 176.428 176.300 -0.232 0.000 1.055 1215 R CA -0.291 55.704 56.100 -0.176 0.000 0.961 1215 R CB 0.305 30.669 30.300 0.105 0.000 0.978 1215 R HN 0.475 nan 8.270 nan 0.000 0.443 1216 L N 4.613 125.579 121.223 -0.427 0.000 2.282 1216 L HA 0.436 4.780 4.340 0.008 0.000 0.288 1216 L C -0.513 176.039 176.870 -0.531 0.000 1.033 1216 L CA -0.754 53.878 54.840 -0.347 0.000 0.807 1216 L CB 0.479 42.357 42.059 -0.301 0.000 1.209 1216 L HN 0.399 nan 8.230 nan 0.000 0.423 1217 Y N -0.273 119.935 120.300 -0.152 0.000 2.446 1217 Y HA 0.233 4.788 4.550 0.008 0.000 0.345 1217 Y C 1.120 176.892 175.900 -0.212 0.000 0.984 1217 Y CA -0.874 57.123 58.100 -0.172 0.000 1.058 1217 Y CB 2.175 40.550 38.460 -0.142 0.000 1.220 1217 Y HN 0.583 nan 8.280 nan 0.000 0.455 1218 T N -2.695 111.742 114.554 -0.195 0.000 3.235 1218 T HA 0.189 4.543 4.350 0.008 0.000 0.251 1218 T C -0.785 173.811 174.700 -0.174 0.000 1.060 1218 T CA -0.257 61.676 62.100 -0.278 0.000 0.949 1218 T CB -1.018 67.483 68.868 -0.611 0.000 1.020 1218 T HN 0.576 nan 8.240 nan 0.000 0.564 1219 D N -0.363 119.987 120.400 -0.083 0.000 2.602 1219 D HA 0.315 4.960 4.640 0.008 0.000 0.245 1219 D C 0.917 177.185 176.300 -0.055 0.000 1.325 1219 D CA -1.012 52.950 54.000 -0.063 0.000 0.952 1219 D CB 1.192 41.962 40.800 -0.051 0.000 1.317 1219 D HN -0.160 nan 8.370 nan 0.000 0.577 1220 R N 0.884 121.355 120.500 -0.049 0.000 2.200 1220 R HA -0.066 4.278 4.340 0.008 0.000 0.234 1220 R C 0.540 176.804 176.300 -0.060 0.000 1.127 1220 R CA 0.847 56.917 56.100 -0.050 0.000 0.989 1220 R CB -0.434 29.846 30.300 -0.034 0.000 0.869 1220 R HN 0.577 nan 8.270 nan 0.000 0.459 1221 S N 2.071 117.741 115.700 -0.050 0.000 3.829 1221 S HA 0.087 4.562 4.470 0.008 0.000 0.250 1221 S C 0.420 174.976 174.600 -0.074 0.000 1.263 1221 S CA -0.510 57.664 58.200 -0.043 0.000 0.955 1221 S CB -0.011 63.176 63.200 -0.022 0.000 1.611 1221 S HN 0.180 nan 8.310 nan 0.000 0.483 1222 R N 1.465 121.892 120.500 -0.122 0.000 2.740 1222 R HA -0.052 4.293 4.340 0.008 0.000 0.263 1222 R C 0.360 176.575 176.300 -0.141 0.000 0.997 1222 R CA 0.303 56.274 56.100 -0.215 0.000 1.108 1222 R CB 0.178 30.267 30.300 -0.351 0.000 0.969 1222 R HN 0.521 nan 8.270 nan 0.000 0.431 1223 D N 2.884 123.187 120.400 -0.161 0.000 2.354 1223 D HA -0.171 4.474 4.640 0.008 0.000 0.216 1223 D C 0.539 176.918 176.300 0.131 0.000 0.970 1223 D CA 0.933 54.914 54.000 -0.031 0.000 0.905 1223 D CB -0.077 40.697 40.800 -0.044 0.000 0.903 1223 D HN 0.366 nan 8.370 nan 0.000 0.508 1224 F N 0.000 119.920 119.950 -0.049 0.000 2.286 1224 F HA 0.000 4.532 4.527 0.008 0.000 0.279 1224 F CA 0.000 57.978 58.000 -0.037 0.000 1.383 1224 F CB 0.000 38.978 39.000 -0.036 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574