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 3h3v_1_C DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXKLA 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 0.000 176.277 176.300 -0.039 0.000 2.045 20 D CA 0.000 53.984 54.000 -0.026 0.000 0.868 20 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 21 E N -0.165 120.002 120.200 -0.055 0.000 2.452 21 E HA -0.017 4.334 4.350 0.001 0.000 0.209 21 E C -0.389 176.145 176.600 -0.110 0.000 1.228 21 E CA 0.322 56.669 56.400 -0.088 0.000 0.968 21 E CB -0.124 29.512 29.700 -0.106 0.000 0.947 21 E HN 0.075 nan 8.360 nan 0.000 0.564 22 S N -0.520 115.137 115.700 -0.071 0.000 2.550 22 S HA 0.593 5.064 4.470 0.001 0.000 0.274 22 S C -1.154 173.426 174.600 -0.033 0.000 1.110 22 S CA -0.153 58.012 58.200 -0.059 0.000 1.013 22 S CB 1.516 64.680 63.200 -0.060 0.000 1.152 22 S HN 0.569 nan 8.310 nan 0.000 0.450 23 A N 4.575 127.382 122.820 -0.022 0.000 2.428 23 A HA 0.881 5.202 4.320 0.001 0.000 0.304 23 A C -3.195 174.383 177.584 -0.009 0.000 1.085 23 A CA -0.971 51.059 52.037 -0.012 0.000 0.605 23 A CB 0.078 19.074 19.000 -0.006 0.000 1.393 23 A HN 0.461 nan 8.150 nan 0.000 0.541 24 P HA 0.510 nan 4.420 nan 0.000 0.280 24 P C -0.708 176.591 177.300 -0.000 0.000 1.278 24 P CA 0.254 63.353 63.100 -0.002 0.000 0.787 24 P CB 0.196 31.901 31.700 0.009 0.000 1.163 25 I N -1.383 119.189 120.570 0.002 0.000 2.563 25 I HA 0.176 4.347 4.170 0.001 0.000 0.281 25 I C 0.864 177.001 176.117 0.032 0.000 1.110 25 I CA -0.740 60.571 61.300 0.017 0.000 1.073 25 I CB 1.290 39.289 38.000 -0.002 0.000 1.215 25 I HN 0.234 nan 8.210 nan 0.000 0.460 26 T N 1.423 115.999 114.554 0.037 0.000 2.652 26 T HA 0.373 4.723 4.350 0.001 0.000 0.319 26 T C 1.516 176.236 174.700 0.034 0.000 1.029 26 T CA 0.218 62.340 62.100 0.037 0.000 0.990 26 T CB 0.990 69.885 68.868 0.044 0.000 1.098 26 T HN 0.568 nan 8.240 nan 0.000 0.520 27 A N 0.317 123.153 122.820 0.027 0.000 1.834 27 A HA -0.121 4.200 4.320 0.001 0.000 0.216 27 A C 2.278 179.826 177.584 -0.061 0.000 1.203 27 A CA 2.166 54.191 52.037 -0.020 0.000 0.621 27 A CB -1.596 17.416 19.000 0.020 0.000 0.841 27 A HN 1.004 nan 8.150 nan 0.000 0.446 28 E N 0.534 120.760 120.200 0.044 0.000 2.197 28 E HA -0.265 4.085 4.350 0.001 0.000 0.205 28 E C 1.496 178.186 176.600 0.149 0.000 1.029 28 E CA 2.048 58.536 56.400 0.147 0.000 0.828 28 E CB -0.421 29.378 29.700 0.164 0.000 0.737 28 E HN 0.623 nan 8.360 nan 0.000 0.464 29 D N -0.629 119.828 120.400 0.095 0.000 2.092 29 D HA -0.151 4.490 4.640 0.001 0.000 0.193 29 D C 1.961 178.338 176.300 0.128 0.000 0.994 29 D CA 1.620 55.695 54.000 0.125 0.000 0.828 29 D CB -0.445 40.416 40.800 0.102 0.000 0.963 29 D HN 0.182 nan 8.370 nan 0.000 0.450 30 S N 0.720 116.430 115.700 0.016 0.000 2.425 30 S HA -0.282 4.189 4.470 0.001 0.000 0.256 30 S C 1.738 176.335 174.600 -0.006 0.000 1.101 30 S CA 1.814 59.977 58.200 -0.062 0.000 1.188 30 S CB -1.129 61.801 63.200 -0.450 0.000 1.085 30 S HN 0.458 nan 8.310 nan 0.000 0.439 31 W N 1.539 122.922 121.300 0.140 0.000 2.289 31 W HA -0.282 4.378 4.660 0.001 0.000 0.331 31 W C 2.909 179.587 176.519 0.264 0.000 1.283 31 W CA 0.879 58.343 57.345 0.198 0.000 1.252 31 W CB -0.930 28.632 29.460 0.171 0.000 1.153 31 W HN 0.415 nan 8.180 nan 0.000 0.467 32 A N 0.323 123.425 122.820 0.471 0.000 1.929 32 A HA -0.336 3.984 4.320 0.001 0.000 0.221 32 A C 1.898 179.707 177.584 0.376 0.000 1.211 32 A CA 3.242 55.499 52.037 0.367 0.000 0.657 32 A CB -1.432 17.734 19.000 0.277 0.000 0.827 32 A HN 0.186 nan 8.150 nan 0.000 0.462 33 V N 0.220 120.359 119.914 0.375 0.000 2.231 33 V HA -0.350 3.771 4.120 0.001 0.000 0.248 33 V C 2.424 178.794 176.094 0.460 0.000 1.054 33 V CA 2.287 64.842 62.300 0.426 0.000 1.015 33 V CB -0.937 31.189 31.823 0.507 0.000 0.638 33 V HN 0.614 nan 8.190 nan 0.000 0.444 34 I N 0.139 120.966 120.570 0.428 0.000 2.118 34 I HA -0.293 3.878 4.170 0.001 0.000 0.241 34 I C 2.722 179.202 176.117 0.604 0.000 1.070 34 I CA 1.935 63.499 61.300 0.440 0.000 1.327 34 I CB -0.648 37.660 38.000 0.514 0.000 1.034 34 I HN 0.287 nan 8.210 nan 0.000 0.405 35 S N 0.631 116.761 115.700 0.716 0.000 2.381 35 S HA -0.321 4.150 4.470 0.001 0.000 0.230 35 S C 2.205 177.080 174.600 0.459 0.000 1.052 35 S CA 1.830 60.421 58.200 0.651 0.000 1.068 35 S CB -0.505 62.933 63.200 0.396 0.000 0.918 35 S HN 0.606 nan 8.310 nan 0.000 0.448 36 A N 0.795 123.848 122.820 0.388 0.000 1.933 36 A HA -0.096 4.225 4.320 0.001 0.000 0.218 36 A C 1.879 179.646 177.584 0.305 0.000 1.175 36 A CA 1.558 53.796 52.037 0.335 0.000 0.628 36 A CB -0.817 18.397 19.000 0.357 0.000 0.814 36 A HN 0.499 nan 8.150 nan 0.000 0.444 37 F N 0.147 120.066 119.950 -0.051 0.000 2.046 37 F HA -0.169 4.359 4.527 0.001 0.000 0.297 37 F C 1.886 177.392 175.800 -0.490 0.000 1.123 37 F CA 1.395 58.997 58.000 -0.663 0.000 1.199 37 F CB -1.055 37.291 39.000 -1.090 0.000 0.972 37 F HN 0.244 nan 8.300 nan 0.000 0.474 38 F N 0.342 120.210 119.950 -0.137 0.000 2.293 38 F HA -0.071 4.456 4.527 0.001 0.000 0.300 38 F C 2.497 178.262 175.800 -0.058 0.000 1.086 38 F CA 1.059 58.939 58.000 -0.200 0.000 1.375 38 F CB -0.569 38.479 39.000 0.080 0.000 1.045 38 F HN -0.133 nan 8.300 nan 0.000 0.516 39 R N 0.267 120.878 120.500 0.185 0.000 2.094 39 R HA -0.232 4.109 4.340 0.001 0.000 0.239 39 R C 2.183 178.535 176.300 0.087 0.000 1.137 39 R CA 2.056 58.237 56.100 0.134 0.000 0.943 39 R CB -0.543 29.847 30.300 0.151 0.000 0.850 39 R HN 0.356 nan 8.270 nan 0.000 0.433 40 E N 0.207 120.457 120.200 0.084 0.000 2.122 40 E HA -0.112 4.238 4.350 0.001 0.000 0.190 40 E C 1.572 178.183 176.600 0.019 0.000 0.977 40 E CA 0.736 57.188 56.400 0.087 0.000 0.820 40 E CB 0.353 30.163 29.700 0.182 0.000 0.770 40 E HN 0.105 nan 8.360 nan 0.000 0.462 41 K N -0.067 120.261 120.400 -0.119 0.000 2.099 41 K HA 0.118 4.439 4.320 0.001 0.000 0.203 41 K C 0.902 177.415 176.600 -0.146 0.000 1.047 41 K CA 0.919 57.086 56.287 -0.200 0.000 0.963 41 K CB -0.039 32.138 32.500 -0.537 0.000 0.759 41 K HN 0.250 nan 8.250 nan 0.000 0.451 42 G N 1.149 109.887 108.800 -0.104 0.000 2.716 42 G HA2 -0.221 3.740 3.960 0.001 0.000 0.686 42 G HA3 -0.221 3.740 3.960 0.001 0.000 0.686 42 G C 0.482 175.408 174.900 0.043 0.000 1.337 42 G CA -0.235 44.888 45.100 0.037 0.000 0.829 42 G HN 0.150 nan 8.290 nan 0.000 0.599 43 L N 0.696 121.979 121.223 0.100 0.000 2.362 43 L HA -0.020 4.321 4.340 0.001 0.000 0.219 43 L C 2.764 179.640 176.870 0.010 0.000 1.134 43 L CA 1.319 56.202 54.840 0.071 0.000 0.807 43 L CB -0.772 41.305 42.059 0.030 0.000 0.927 43 L HN 0.684 nan 8.230 nan 0.000 0.447 44 V N -3.696 116.219 119.914 0.001 0.000 3.052 44 V HA -0.060 4.061 4.120 0.001 0.000 0.254 44 V C 2.411 178.495 176.094 -0.017 0.000 1.100 44 V CA 0.569 62.862 62.300 -0.011 0.000 1.112 44 V CB -0.444 31.374 31.823 -0.009 0.000 0.738 44 V HN 0.536 nan 8.190 nan 0.000 0.469 45 S N 3.044 118.727 115.700 -0.028 0.000 1.886 45 S HA -0.580 3.891 4.470 0.001 0.000 0.525 45 S C 1.961 176.556 174.600 -0.008 0.000 0.924 45 S CA 3.331 61.515 58.200 -0.026 0.000 3.284 45 S CB -1.689 61.469 63.200 -0.068 0.000 2.294 45 S HN 0.938 nan 8.310 nan 0.000 0.557 46 Q N 0.195 119.976 119.800 -0.032 0.000 2.310 46 Q HA -0.407 3.933 4.340 0.001 0.000 0.223 46 Q C 2.148 178.154 176.000 0.010 0.000 1.090 46 Q CA 2.203 57.988 55.803 -0.031 0.000 0.968 46 Q CB -1.155 27.550 28.738 -0.055 0.000 1.059 46 Q HN 0.753 nan 8.270 nan 0.000 0.497 47 Q N 0.514 120.322 119.800 0.012 0.000 2.096 47 Q HA -0.075 4.265 4.340 0.001 0.000 0.204 47 Q C 2.376 178.432 176.000 0.093 0.000 0.982 47 Q CA 1.658 57.488 55.803 0.046 0.000 0.850 47 Q CB -0.264 28.489 28.738 0.026 0.000 0.901 47 Q HN 0.532 nan 8.270 nan 0.000 0.422 48 L N 0.787 122.051 121.223 0.068 0.000 1.937 48 L HA -0.225 4.115 4.340 0.001 0.000 0.213 48 L C 2.098 179.043 176.870 0.126 0.000 1.077 48 L CA 1.384 56.283 54.840 0.098 0.000 0.758 48 L CB -0.968 41.123 42.059 0.053 0.000 0.888 48 L HN 0.201 nan 8.230 nan 0.000 0.433 49 D N -0.198 120.251 120.400 0.082 0.000 2.347 49 D HA -0.303 4.338 4.640 0.001 0.000 0.189 49 D C 2.194 178.543 176.300 0.082 0.000 1.020 49 D CA 2.248 56.291 54.000 0.072 0.000 0.875 49 D CB -0.271 40.569 40.800 0.067 0.000 0.928 49 D HN 0.254 nan 8.370 nan 0.000 0.454 50 S N -0.647 115.115 115.700 0.104 0.000 2.368 50 S HA -0.178 4.292 4.470 0.001 0.000 0.225 50 S C 1.773 176.499 174.600 0.210 0.000 1.030 50 S CA 0.765 59.041 58.200 0.126 0.000 0.999 50 S CB -0.393 62.874 63.200 0.111 0.000 0.844 50 S HN 0.245 nan 8.310 nan 0.000 0.459 51 F N 3.097 123.104 119.950 0.096 0.000 2.171 51 F HA -0.021 4.507 4.527 0.001 0.000 0.300 51 F C 1.986 177.877 175.800 0.153 0.000 1.090 51 F CA 1.427 59.512 58.000 0.142 0.000 1.293 51 F CB -0.763 38.294 39.000 0.096 0.000 1.013 51 F HN 0.241 nan 8.300 nan 0.000 0.486 52 N N 0.474 119.168 118.700 -0.011 0.000 2.028 52 N HA -0.238 4.503 4.740 0.001 0.000 0.194 52 N C 1.866 177.302 175.510 -0.124 0.000 1.050 52 N CA 1.575 54.547 53.050 -0.130 0.000 0.848 52 N CB -1.060 37.409 38.487 -0.031 0.000 1.038 52 N HN 0.281 nan 8.380 nan 0.000 0.423 53 Q N 0.352 120.107 119.800 -0.076 0.000 2.325 53 Q HA -0.138 4.203 4.340 0.001 0.000 0.211 53 Q C 1.710 177.682 176.000 -0.047 0.000 0.988 53 Q CA 1.121 56.843 55.803 -0.135 0.000 0.887 53 Q CB -0.486 28.181 28.738 -0.119 0.000 0.915 53 Q HN 0.426 nan 8.270 nan 0.000 0.440 54 F N -1.207 118.664 119.950 -0.133 0.000 2.074 54 F HA -0.094 4.434 4.527 0.001 0.000 0.293 54 F C 1.739 177.435 175.800 -0.174 0.000 1.116 54 F CA 1.343 59.277 58.000 -0.111 0.000 1.212 54 F CB -0.670 38.281 39.000 -0.082 0.000 0.998 54 F HN -0.059 nan 8.300 nan 0.000 0.471 55 V N 1.248 120.868 119.914 -0.490 0.000 2.214 55 V HA -0.326 3.795 4.120 0.001 0.000 0.245 55 V C 2.253 178.132 176.094 -0.359 0.000 1.047 55 V CA 2.230 64.186 62.300 -0.574 0.000 0.998 55 V CB -0.882 30.644 31.823 -0.495 0.000 0.633 55 V HN 0.309 nan 8.190 nan 0.000 0.446 56 D N -0.910 119.390 120.400 -0.167 0.000 2.380 56 D HA -0.231 4.410 4.640 0.001 0.000 0.198 56 D C 1.975 178.348 176.300 0.123 0.000 1.027 56 D CA 2.533 56.560 54.000 0.046 0.000 0.880 56 D CB -0.388 40.595 40.800 0.305 0.000 1.064 56 D HN 0.516 nan 8.370 nan 0.000 0.465 57 Y N 0.764 120.968 120.300 -0.161 0.000 2.197 57 Y HA 0.002 4.552 4.550 0.001 0.000 0.281 57 Y C 2.838 178.648 175.900 -0.150 0.000 1.099 57 Y CA 0.766 58.794 58.100 -0.119 0.000 1.092 57 Y CB -1.311 37.112 38.460 -0.061 0.000 1.028 57 Y HN -0.061 nan 8.280 nan 0.000 0.489 58 T N 1.872 116.456 114.554 0.049 0.000 2.527 58 T HA -0.334 4.017 4.350 0.001 0.000 0.258 58 T C 1.995 176.591 174.700 -0.173 0.000 1.175 58 T CA 2.233 64.308 62.100 -0.042 0.000 1.168 58 T CB -1.107 67.756 68.868 -0.009 0.000 0.860 58 T HN 0.224 nan 8.240 nan 0.000 0.429 59 L N 0.957 121.861 121.223 -0.532 0.000 2.151 59 L HA -0.223 4.118 4.340 0.001 0.000 0.215 59 L C 2.554 179.323 176.870 -0.168 0.000 1.084 59 L CA 2.038 56.552 54.840 -0.544 0.000 0.764 59 L CB -0.618 40.931 42.059 -0.850 0.000 0.891 59 L HN 0.280 nan 8.230 nan 0.000 0.435 60 Q N -0.599 119.115 119.800 -0.144 0.000 2.020 60 Q HA -0.186 4.155 4.340 0.001 0.000 0.198 60 Q C 1.847 177.848 176.000 0.002 0.000 0.974 60 Q CA 2.018 57.783 55.803 -0.063 0.000 0.829 60 Q CB -0.264 28.426 28.738 -0.080 0.000 0.894 60 Q HN 0.520 nan 8.270 nan 0.000 0.433 61 D N -0.261 120.146 120.400 0.011 0.000 2.190 61 D HA -0.173 4.468 4.640 0.001 0.000 0.200 61 D C 1.544 177.891 176.300 0.078 0.000 0.992 61 D CA 1.524 55.553 54.000 0.049 0.000 0.854 61 D CB -0.044 40.793 40.800 0.062 0.000 0.936 61 D HN 0.428 nan 8.370 nan 0.000 0.462 62 I N -0.543 120.084 120.570 0.096 0.000 2.406 62 I HA -0.125 4.046 4.170 0.001 0.000 0.249 62 I C 1.897 178.116 176.117 0.170 0.000 1.122 62 I CA 0.266 61.648 61.300 0.137 0.000 1.431 62 I CB -0.064 38.056 38.000 0.200 0.000 1.087 62 I HN -0.058 nan 8.210 nan 0.000 0.424 63 I N 0.463 121.095 120.570 0.103 0.000 2.361 63 I HA -0.213 3.957 4.170 0.001 0.000 0.251 63 I C 0.993 177.268 176.117 0.263 0.000 1.133 63 I CA 1.157 62.544 61.300 0.144 0.000 1.413 63 I CB -0.180 37.807 38.000 -0.023 0.000 1.073 63 I HN 0.272 nan 8.210 nan 0.000 0.424 64 C N 1.404 120.801 119.300 0.162 0.000 2.288 64 C HA 0.323 4.783 4.460 0.001 0.000 0.328 64 C C 1.304 176.353 174.990 0.098 0.000 1.071 64 C CA -0.152 58.950 59.018 0.140 0.000 1.594 64 C CB -1.464 26.340 27.740 0.106 0.000 1.700 64 C HN 0.626 nan 8.230 nan 0.000 0.436 65 E N 0.729 120.981 120.200 0.085 0.000 2.701 65 E HA 0.053 4.404 4.350 0.001 0.000 0.201 65 E C 0.078 176.684 176.600 0.011 0.000 0.961 65 E CA 0.159 56.584 56.400 0.042 0.000 1.659 65 E CB 0.189 29.910 29.700 0.036 0.000 1.970 65 E HN 0.466 nan 8.360 nan 0.000 1.021 66 D N 1.551 121.949 120.400 -0.004 0.000 2.881 66 D HA 0.002 4.642 4.640 0.001 0.000 0.325 66 D C 0.846 177.122 176.300 -0.040 0.000 1.621 66 D CA 0.484 54.460 54.000 -0.041 0.000 0.785 66 D CB 0.070 40.815 40.800 -0.093 0.000 1.233 66 D HN 0.125 nan 8.370 nan 0.000 0.447 67 S N -0.368 115.366 115.700 0.056 0.000 2.442 67 S HA -0.057 4.414 4.470 0.001 0.000 0.236 67 S C 1.062 175.807 174.600 0.242 0.000 1.007 67 S CA 0.658 58.990 58.200 0.220 0.000 0.965 67 S CB -0.636 62.821 63.200 0.428 0.000 0.773 67 S HN 0.251 nan 8.310 nan 0.000 0.504 68 T N 2.671 117.281 114.554 0.093 0.000 2.910 68 T HA 0.647 4.998 4.350 0.001 0.000 0.293 68 T C -0.320 174.396 174.700 0.026 0.000 1.015 68 T CA -0.276 61.843 62.100 0.032 0.000 1.094 68 T CB 0.797 69.678 68.868 0.021 0.000 0.968 68 T HN 0.242 nan 8.240 nan 0.000 0.521 69 L N 1.475 122.734 121.223 0.060 0.000 2.469 69 L HA 0.540 4.881 4.340 0.001 0.000 0.256 69 L C 0.248 177.265 176.870 0.245 0.000 1.006 69 L CA -1.282 53.672 54.840 0.189 0.000 0.832 69 L CB 1.698 43.942 42.059 0.308 0.000 1.421 69 L HN 0.543 nan 8.230 nan 0.000 0.410 91 S N 4.325 119.845 115.700 -0.301 0.000 2.758 91 S HA 0.864 5.335 4.470 0.001 0.000 0.292 91 S C -0.827 173.485 174.600 -0.481 0.000 1.131 91 S CA -0.604 57.431 58.200 -0.276 0.000 0.997 91 S CB 1.765 64.928 63.200 -0.061 0.000 1.111 91 S HN 0.319 nan 8.310 nan 0.000 0.552 92 F N -0.729 119.269 119.950 0.080 0.000 2.551 92 F HA 0.743 5.271 4.527 0.001 0.000 0.316 92 F C 0.807 176.665 175.800 0.097 0.000 1.089 92 F CA -0.561 57.504 58.000 0.108 0.000 0.915 92 F CB 2.162 41.268 39.000 0.176 0.000 1.186 92 F HN 0.970 nan 8.300 nan 0.000 0.456 93 G N 0.587 109.555 108.800 0.280 0.000 3.075 93 G HA2 0.363 4.323 3.960 0.001 0.000 0.253 93 G HA3 0.363 4.323 3.960 0.001 0.000 0.253 93 G C -1.059 173.960 174.900 0.199 0.000 1.353 93 G CA -1.096 44.120 45.100 0.192 0.000 1.051 93 G HN 0.647 nan 8.290 nan 0.000 0.553 94 K N -0.342 120.151 120.400 0.155 0.000 2.572 94 K HA -0.123 4.197 4.320 0.001 0.000 0.273 94 K C -0.398 176.341 176.600 0.231 0.000 0.990 94 K CA 0.316 56.680 56.287 0.129 0.000 1.097 94 K CB 0.082 32.634 32.500 0.086 0.000 0.819 94 K HN 0.364 nan 8.250 nan 0.000 0.482 95 I N 4.311 124.960 120.570 0.132 0.000 2.437 95 I HA 0.210 4.380 4.170 0.001 0.000 0.298 95 I C -1.186 175.030 176.117 0.165 0.000 0.984 95 I CA -1.059 60.361 61.300 0.200 0.000 1.214 95 I CB 0.674 38.701 38.000 0.044 0.000 1.365 95 I HN 0.522 nan 8.210 nan 0.000 0.469 96 Y N 6.144 126.475 120.300 0.051 0.000 2.385 96 Y HA 0.355 4.906 4.550 0.001 0.000 0.341 96 Y C -0.038 175.787 175.900 -0.125 0.000 0.965 96 Y CA -0.780 57.332 58.100 0.020 0.000 1.180 96 Y CB 1.460 40.032 38.460 0.186 0.000 1.139 96 Y HN 0.172 nan 8.280 nan 0.000 0.502 97 V N 4.592 124.456 119.914 -0.084 0.000 2.304 97 V HA 0.158 4.279 4.120 0.001 0.000 0.262 97 V C 0.510 176.502 176.094 -0.170 0.000 1.061 97 V CA -0.669 61.532 62.300 -0.164 0.000 0.872 97 V CB 0.385 32.093 31.823 -0.191 0.000 1.077 97 V HN 0.884 nan 8.190 nan 0.000 0.480 98 T N 3.483 117.896 114.554 -0.234 0.000 2.828 98 T HA 0.371 4.721 4.350 0.001 0.000 0.290 98 T C 0.116 174.721 174.700 -0.159 0.000 1.019 98 T CA -0.519 61.459 62.100 -0.202 0.000 1.031 98 T CB 0.876 69.571 68.868 -0.289 0.000 1.001 98 T HN 0.535 nan 8.240 nan 0.000 0.531 99 K N 2.097 122.419 120.400 -0.131 0.000 2.102 99 K HA 0.337 4.657 4.320 0.001 0.000 0.244 99 K C -2.458 174.117 176.600 -0.041 0.000 1.021 99 K CA -1.952 54.259 56.287 -0.127 0.000 0.913 99 K CB 0.142 32.488 32.500 -0.256 0.000 1.062 99 K HN 0.441 nan 8.250 nan 0.000 0.485 100 P HA -0.082 nan 4.420 nan 0.000 0.263 100 P C -0.711 176.579 177.300 -0.015 0.000 1.175 100 P CA 1.120 64.141 63.100 -0.132 0.000 0.761 100 P CB 0.460 31.916 31.700 -0.406 0.000 0.794 101 M N 1.333 120.901 119.600 -0.053 0.000 2.880 101 M HA 0.432 4.912 4.480 0.001 0.000 0.269 101 M C -1.464 174.824 176.300 -0.020 0.000 1.248 101 M CA -0.919 54.368 55.300 -0.022 0.000 0.821 101 M CB 2.495 35.101 32.600 0.009 0.000 1.650 101 M HN -0.186 nan 8.290 nan 0.000 0.479 102 V N 1.817 121.735 119.914 0.006 0.000 2.568 102 V HA 0.245 4.365 4.120 0.001 0.000 0.276 102 V C -1.000 175.120 176.094 0.045 0.000 1.002 102 V CA -0.775 61.541 62.300 0.027 0.000 0.879 102 V CB 1.532 33.376 31.823 0.036 0.000 1.040 102 V HN 0.829 nan 8.190 nan 0.000 0.457 103 N N 4.269 122.982 118.700 0.022 0.000 2.475 103 N HA 0.295 5.035 4.740 0.001 0.000 0.267 103 N C -0.366 175.161 175.510 0.028 0.000 1.169 103 N CA 0.172 53.231 53.050 0.014 0.000 0.947 103 N CB 0.616 39.087 38.487 -0.028 0.000 1.061 103 N HN 0.817 nan 8.380 nan 0.000 0.466 104 E N 0.718 120.940 120.200 0.037 0.000 2.278 104 E HA 0.291 4.642 4.350 0.001 0.000 0.272 104 E C -0.914 175.707 176.600 0.034 0.000 0.890 104 E CA -1.024 55.400 56.400 0.040 0.000 0.770 104 E CB 0.741 30.474 29.700 0.055 0.000 1.212 104 E HN 0.505 nan 8.360 nan 0.000 0.415 105 S N 2.568 118.286 115.700 0.030 0.000 2.558 105 S HA 0.046 4.517 4.470 0.001 0.000 0.288 105 S C 0.349 174.967 174.600 0.030 0.000 1.318 105 S CA -0.085 58.131 58.200 0.027 0.000 1.056 105 S CB 0.236 63.452 63.200 0.026 0.000 0.853 105 S HN 0.747 nan 8.310 nan 0.000 0.505 106 D N 0.260 120.676 120.400 0.026 0.000 3.027 106 D HA -0.076 4.564 4.640 0.001 0.000 0.219 106 D C 0.168 176.484 176.300 0.026 0.000 1.110 106 D CA 1.513 55.528 54.000 0.026 0.000 0.841 106 D CB -1.483 39.334 40.800 0.029 0.000 1.096 106 D HN 1.218 nan 8.370 nan 0.000 0.435 107 G N -2.103 106.713 108.800 0.026 0.000 2.355 107 G HA2 0.424 4.385 3.960 0.001 0.000 0.296 107 G HA3 0.424 4.385 3.960 0.001 0.000 0.296 107 G C 0.281 175.201 174.900 0.033 0.000 1.507 107 G CA -0.192 44.925 45.100 0.028 0.000 0.823 107 G HN 0.086 nan 8.290 nan 0.000 0.569 108 V N -0.214 119.722 119.914 0.037 0.000 3.981 108 V HA 0.370 4.491 4.120 0.001 0.000 0.186 108 V C 1.304 177.432 176.094 0.056 0.000 0.946 108 V CA 1.007 63.332 62.300 0.043 0.000 1.145 108 V CB -0.038 31.815 31.823 0.050 0.000 1.023 108 V HN 0.844 nan 8.190 nan 0.000 0.347 109 T N -0.183 114.417 114.554 0.077 0.000 3.418 109 T HA 0.233 4.584 4.350 0.001 0.000 0.315 109 T C -0.488 174.297 174.700 0.143 0.000 1.447 109 T CA -0.273 61.877 62.100 0.083 0.000 1.641 109 T CB -0.600 68.296 68.868 0.046 0.000 0.904 109 T HN 0.645 nan 8.240 nan 0.000 0.640 110 H N 2.813 121.913 119.070 0.049 0.000 3.195 110 H HA 0.204 4.760 4.556 0.001 0.000 0.302 110 H C 0.463 175.845 175.328 0.090 0.000 0.950 110 H CA -0.349 55.737 56.048 0.065 0.000 1.398 110 H CB 0.208 30.002 29.762 0.055 0.000 1.377 110 H HN 0.614 nan 8.280 nan 0.000 0.572 111 A N 6.866 129.755 122.820 0.115 0.000 2.489 111 A HA 0.241 4.562 4.320 0.001 0.000 0.289 111 A C 0.107 177.522 177.584 -0.282 0.000 1.216 111 A CA -0.518 51.541 52.037 0.036 0.000 0.883 111 A CB -0.746 18.413 19.000 0.266 0.000 1.110 111 A HN 0.720 nan 8.150 nan 0.000 0.523 112 L N 3.116 124.171 121.223 -0.280 0.000 2.467 112 L HA 0.324 4.665 4.340 0.001 0.000 0.270 112 L C -0.734 176.011 176.870 -0.209 0.000 1.205 112 L CA 0.639 55.321 54.840 -0.263 0.000 0.828 112 L CB 0.040 42.038 42.059 -0.101 0.000 1.101 112 L HN 0.573 nan 8.230 nan 0.000 0.479 113 Y N 5.266 125.401 120.300 -0.274 0.000 2.409 113 Y HA 0.391 4.942 4.550 0.001 0.000 0.343 113 Y C -1.568 174.253 175.900 -0.131 0.000 0.973 113 Y CA -1.984 55.975 58.100 -0.234 0.000 1.064 113 Y CB 1.341 39.672 38.460 -0.216 0.000 1.207 113 Y HN 0.554 nan 8.280 nan 0.000 0.452 114 P HA -0.331 nan 4.420 nan 0.000 0.214 114 P C 1.271 178.487 177.300 -0.139 0.000 1.172 114 P CA 1.888 64.692 63.100 -0.494 0.000 0.925 114 P CB 0.455 31.676 31.700 -0.799 0.000 0.793 115 Q N 0.395 120.158 119.800 -0.061 0.000 2.389 115 Q HA -0.218 4.123 4.340 0.001 0.000 0.213 115 Q C 2.118 178.139 176.000 0.035 0.000 0.989 115 Q CA 1.975 57.781 55.803 0.005 0.000 0.891 115 Q CB -0.820 27.936 28.738 0.029 0.000 0.923 115 Q HN 0.520 nan 8.270 nan 0.000 0.455 116 E N -1.681 118.553 120.200 0.056 0.000 2.079 116 E HA 0.024 4.374 4.350 0.001 0.000 0.191 116 E C 1.664 178.317 176.600 0.088 0.000 0.961 116 E CA 0.626 57.072 56.400 0.078 0.000 0.823 116 E CB -0.268 29.490 29.700 0.097 0.000 0.789 116 E HN 0.339 nan 8.360 nan 0.000 0.459 117 A N 1.495 124.365 122.820 0.082 0.000 2.194 117 A HA -0.163 4.157 4.320 0.001 0.000 0.220 117 A C 2.034 179.669 177.584 0.084 0.000 1.162 117 A CA 0.977 53.067 52.037 0.089 0.000 0.674 117 A CB -0.496 18.569 19.000 0.108 0.000 0.789 117 A HN 0.167 nan 8.150 nan 0.000 0.470 118 R N -0.962 119.578 120.500 0.067 0.000 2.093 118 R HA 0.088 4.428 4.340 0.001 0.000 0.224 118 R C 1.806 178.164 176.300 0.097 0.000 1.101 118 R CA 1.040 57.178 56.100 0.064 0.000 0.979 118 R CB -0.364 29.959 30.300 0.039 0.000 0.877 118 R HN 0.553 nan 8.270 nan 0.000 0.441 119 L N -0.056 121.234 121.223 0.112 0.000 2.145 119 L HA 0.024 4.364 4.340 0.001 0.000 0.201 119 L C 2.147 179.189 176.870 0.287 0.000 1.075 119 L CA 0.864 55.789 54.840 0.141 0.000 0.773 119 L CB -0.180 41.936 42.059 0.096 0.000 0.936 119 L HN 0.007 nan 8.230 nan 0.000 0.451 120 R N 0.497 121.160 120.500 0.271 0.000 2.323 120 R HA 0.048 4.389 4.340 0.001 0.000 0.198 120 R C -0.220 176.167 176.300 0.145 0.000 0.988 120 R CA 0.063 56.378 56.100 0.358 0.000 1.041 120 R CB -0.454 29.965 30.300 0.199 0.000 0.926 120 R HN 0.419 nan 8.270 nan 0.000 0.476 121 N N 1.094 119.877 118.700 0.139 0.000 2.681 121 N HA -0.179 4.561 4.740 0.001 0.000 0.259 121 N C -0.698 174.778 175.510 -0.058 0.000 1.066 121 N CA -0.037 53.011 53.050 -0.003 0.000 0.717 121 N CB -0.743 37.646 38.487 -0.163 0.000 0.885 121 N HN 0.181 nan 8.380 nan 0.000 0.547 122 L N -0.643 120.589 121.223 0.016 0.000 2.535 122 L HA 0.645 4.986 4.340 0.001 0.000 0.259 122 L C 0.547 177.451 176.870 0.055 0.000 1.263 122 L CA -0.653 54.201 54.840 0.024 0.000 1.282 122 L CB 1.077 43.166 42.059 0.049 0.000 1.901 122 L HN -0.050 nan 8.230 nan 0.000 0.572 123 T N -0.834 113.765 114.554 0.076 0.000 2.949 123 T HA 0.197 4.547 4.350 0.001 0.000 0.300 123 T C -0.999 173.781 174.700 0.134 0.000 0.988 123 T CA -0.261 61.901 62.100 0.104 0.000 0.993 123 T CB 0.672 69.590 68.868 0.082 0.000 0.984 123 T HN 0.266 nan 8.240 nan 0.000 0.442 124 Y N 4.478 124.782 120.300 0.007 0.000 2.758 124 Y HA 0.344 4.895 4.550 0.001 0.000 0.351 124 Y C 0.752 176.637 175.900 -0.025 0.000 1.214 124 Y CA -0.566 57.515 58.100 -0.030 0.000 1.983 124 Y CB -0.856 37.569 38.460 -0.059 0.000 2.062 124 Y HN 0.627 nan 8.280 nan 0.000 0.416 125 S N 0.792 116.438 115.700 -0.089 0.000 2.638 125 S HA 0.919 5.389 4.470 0.001 0.000 0.302 125 S C -0.375 174.156 174.600 -0.115 0.000 1.096 125 S CA -0.299 57.846 58.200 -0.092 0.000 0.953 125 S CB 1.849 65.058 63.200 0.016 0.000 1.107 125 S HN 0.372 nan 8.310 nan 0.000 0.503 126 S N 0.258 115.907 115.700 -0.086 0.000 2.704 126 S HA 0.860 5.331 4.470 0.001 0.000 0.296 126 S C 0.243 174.831 174.600 -0.020 0.000 1.138 126 S CA -0.706 57.447 58.200 -0.078 0.000 0.875 126 S CB 0.633 63.753 63.200 -0.133 0.000 1.151 126 S HN 1.302 nan 8.310 nan 0.000 0.500 127 G N -0.260 108.515 108.800 -0.042 0.000 2.467 127 G HA2 0.531 4.491 3.960 0.001 0.000 0.257 127 G HA3 0.531 4.491 3.960 0.001 0.000 0.257 127 G C -1.349 173.428 174.900 -0.205 0.000 1.227 127 G CA -0.389 44.753 45.100 0.071 0.000 0.835 127 G HN 0.441 nan 8.290 nan 0.000 0.556 128 L N 1.531 122.690 121.223 -0.106 0.000 2.319 128 L HA 0.485 4.826 4.340 0.001 0.000 0.281 128 L C -0.561 176.385 176.870 0.126 0.000 1.005 128 L CA -0.378 54.382 54.840 -0.134 0.000 0.828 128 L CB 0.921 42.892 42.059 -0.146 0.000 1.227 128 L HN 0.445 nan 8.230 nan 0.000 0.415 129 F N 3.400 123.410 119.950 0.101 0.000 2.469 129 F HA 0.732 5.260 4.527 0.001 0.000 0.332 129 F C -0.135 175.735 175.800 0.116 0.000 1.103 129 F CA -1.303 56.759 58.000 0.103 0.000 0.979 129 F CB 2.080 41.133 39.000 0.089 0.000 1.137 129 F HN -0.006 nan 8.300 nan 0.000 0.463 130 V N 2.126 122.203 119.914 0.271 0.000 2.623 130 V HA 0.148 4.269 4.120 0.001 0.000 0.304 130 V C -0.792 175.432 176.094 0.217 0.000 1.054 130 V CA -1.100 61.349 62.300 0.248 0.000 0.882 130 V CB 1.991 33.933 31.823 0.199 0.000 1.002 130 V HN 0.599 nan 8.190 nan 0.000 0.424 131 D N 4.037 124.556 120.400 0.198 0.000 2.348 131 D HA 0.175 4.816 4.640 0.001 0.000 0.259 131 D C 0.088 176.478 176.300 0.149 0.000 1.296 131 D CA 0.303 54.374 54.000 0.120 0.000 0.931 131 D CB 1.447 42.317 40.800 0.118 0.000 1.067 131 D HN 0.246 nan 8.370 nan 0.000 0.503 132 V N 3.093 123.075 119.914 0.113 0.000 2.686 132 V HA 0.226 4.347 4.120 0.001 0.000 0.295 132 V C 0.691 176.757 176.094 -0.047 0.000 1.057 132 V CA -0.417 61.892 62.300 0.015 0.000 1.012 132 V CB 1.420 33.256 31.823 0.021 0.000 1.006 132 V HN 0.261 nan 8.190 nan 0.000 0.477 133 K N 3.763 124.091 120.400 -0.120 0.000 2.463 133 K HA 0.423 4.743 4.320 0.001 0.000 0.255 133 K C -0.532 176.009 176.600 -0.097 0.000 0.942 133 K CA -0.804 55.435 56.287 -0.080 0.000 0.814 133 K CB 2.392 34.859 32.500 -0.054 0.000 1.122 133 K HN 0.794 nan 8.250 nan 0.000 0.425 165 V N 2.831 122.664 119.914 -0.135 0.000 2.555 165 V HA 0.447 4.568 4.120 0.001 0.000 0.302 165 V C -0.739 175.371 176.094 0.027 0.000 1.038 165 V CA -0.781 61.487 62.300 -0.054 0.000 0.887 165 V CB 1.359 33.222 31.823 0.066 0.000 0.991 165 V HN 0.257 nan 8.190 nan 0.000 0.434 166 F N 6.151 126.048 119.950 -0.088 0.000 2.424 166 F HA 0.684 5.212 4.527 0.001 0.000 0.356 166 F C -0.308 175.615 175.800 0.205 0.000 1.110 166 F CA -0.584 57.546 58.000 0.218 0.000 1.161 166 F CB 0.662 39.789 39.000 0.212 0.000 1.115 166 F HN 0.338 nan 8.300 nan 0.000 0.507 167 I N 6.731 127.016 120.570 -0.475 0.000 2.641 167 I HA 0.568 4.738 4.170 0.001 0.000 0.275 167 I C 0.145 175.918 176.117 -0.574 0.000 1.129 167 I CA -0.195 60.830 61.300 -0.458 0.000 1.094 167 I CB 0.847 38.764 38.000 -0.139 0.000 1.232 167 I HN 0.946 nan 8.210 nan 0.000 0.503 168 G N 3.886 112.154 108.800 -0.886 0.000 2.795 168 G HA2 -0.144 3.816 3.960 0.001 0.000 0.664 168 G HA3 -0.144 3.816 3.960 0.001 0.000 0.664 168 G C -0.631 174.124 174.900 -0.242 0.000 1.381 168 G CA -0.960 43.894 45.100 -0.410 0.000 0.853 168 G HN 0.518 nan 8.290 nan 0.000 0.545 169 R N -0.775 119.727 120.500 0.003 0.000 2.513 169 R HA 0.529 4.870 4.340 0.001 0.000 0.301 169 R C -0.639 175.679 176.300 0.030 0.000 0.968 169 R CA -0.919 55.222 56.100 0.070 0.000 0.872 169 R CB 1.856 32.245 30.300 0.149 0.000 1.177 169 R HN 0.651 nan 8.270 nan 0.000 0.444 170 L N 5.336 126.557 121.223 -0.004 0.000 2.255 170 L HA 0.426 4.766 4.340 0.001 0.000 0.289 170 L C -2.346 174.566 176.870 0.070 0.000 1.046 170 L CA -2.291 52.565 54.840 0.028 0.000 0.816 170 L CB 0.842 42.895 42.059 -0.010 0.000 1.197 170 L HN 0.446 nan 8.230 nan 0.000 0.427 171 P HA 0.056 nan 4.420 nan 0.000 0.263 171 P C 0.100 177.389 177.300 -0.018 0.000 1.276 171 P CA 0.205 63.361 63.100 0.094 0.000 0.986 171 P CB -0.095 31.731 31.700 0.210 0.000 1.105 172 I N 3.187 123.694 120.570 -0.105 0.000 2.948 172 I HA 0.012 4.182 4.170 0.001 0.000 0.290 172 I C 1.458 177.107 176.117 -0.780 0.000 1.226 172 I CA 0.159 61.367 61.300 -0.155 0.000 1.413 172 I CB 0.193 38.112 38.000 -0.135 0.000 1.352 172 I HN 0.277 nan 8.210 nan 0.000 0.597 173 M N 4.968 123.755 119.600 -1.355 0.000 2.233 173 M HA 0.326 4.807 4.480 0.001 0.000 0.355 173 M C -0.874 175.115 176.300 -0.518 0.000 1.191 173 M CA -0.815 53.582 55.300 -1.505 0.000 1.101 173 M CB 1.018 32.568 32.600 -1.751 0.000 1.592 173 M HN 0.310 nan 8.290 nan 0.000 0.461 174 L N 4.777 125.725 121.223 -0.458 0.000 2.483 174 L HA 0.122 4.462 4.340 0.001 0.000 0.276 174 L C 1.085 177.779 176.870 -0.292 0.000 1.213 174 L CA 0.917 55.535 54.840 -0.370 0.000 0.843 174 L CB 0.115 41.760 42.059 -0.690 0.000 1.107 174 L HN 0.936 nan 8.230 nan 0.000 0.487 175 R N -0.384 120.019 120.500 -0.161 0.000 3.989 175 R HA -0.194 4.146 4.340 0.001 0.000 0.377 175 R C 0.528 176.814 176.300 -0.023 0.000 1.158 175 R CA 1.021 57.067 56.100 -0.090 0.000 1.035 175 R CB -1.887 28.336 30.300 -0.128 0.000 1.557 175 R HN 0.936 nan 8.270 nan 0.000 0.551 176 S N -1.274 114.437 115.700 0.018 0.000 2.562 176 S HA 0.150 4.620 4.470 0.001 0.000 0.256 176 S C 1.228 175.876 174.600 0.081 0.000 1.248 176 S CA 0.173 58.445 58.200 0.121 0.000 0.988 176 S CB 0.562 63.959 63.200 0.328 0.000 1.035 176 S HN 0.335 nan 8.310 nan 0.000 0.548 177 K N -0.138 120.306 120.400 0.073 0.000 2.242 177 K HA 0.164 4.485 4.320 0.001 0.000 0.200 177 K C 1.466 178.054 176.600 -0.019 0.000 1.050 177 K CA 0.493 56.787 56.287 0.012 0.000 0.981 177 K CB -0.240 32.252 32.500 -0.013 0.000 0.795 177 K HN 0.598 nan 8.250 nan 0.000 0.477 178 N N -0.051 118.644 118.700 -0.010 0.000 2.383 178 N HA -0.017 4.723 4.740 0.001 0.000 0.192 178 N C -0.805 174.682 175.510 -0.039 0.000 1.141 178 N CA -0.129 52.886 53.050 -0.058 0.000 0.851 178 N CB 0.305 38.748 38.487 -0.074 0.000 0.976 178 N HN 0.114 nan 8.380 nan 0.000 0.465 179 C N -0.015 119.312 119.300 0.044 0.000 2.366 179 C HA 0.316 4.777 4.460 0.001 0.000 0.345 179 C C 1.518 176.589 174.990 0.135 0.000 1.209 179 C CA -0.736 58.389 59.018 0.179 0.000 2.050 179 C CB -0.459 27.420 27.740 0.231 0.000 2.359 179 C HN 0.454 nan 8.230 nan 0.000 0.527 180 Y N 2.759 123.029 120.300 -0.050 0.000 2.145 180 Y HA -0.083 4.468 4.550 0.001 0.000 0.286 180 Y C 2.164 178.022 175.900 -0.069 0.000 1.145 180 Y CA 1.767 59.791 58.100 -0.127 0.000 1.148 180 Y CB -0.836 37.389 38.460 -0.391 0.000 0.981 180 Y HN 0.639 nan 8.280 nan 0.000 0.507 181 L N -0.057 121.235 121.223 0.115 0.000 2.089 181 L HA -0.345 3.995 4.340 0.001 0.000 0.213 181 L C 2.635 179.529 176.870 0.040 0.000 1.079 181 L CA 1.815 56.685 54.840 0.052 0.000 0.758 181 L CB -1.094 40.956 42.059 -0.014 0.000 0.891 181 L HN 0.367 nan 8.230 nan 0.000 0.433 182 S N -0.349 115.371 115.700 0.033 0.000 2.381 182 S HA -0.315 4.156 4.470 0.001 0.000 0.230 182 S C 1.743 176.354 174.600 0.020 0.000 1.052 182 S CA 1.935 60.146 58.200 0.019 0.000 1.068 182 S CB -0.506 62.703 63.200 0.014 0.000 0.918 182 S HN 0.563 nan 8.310 nan 0.000 0.448 183 E N 2.026 122.238 120.200 0.021 0.000 2.021 183 E HA 0.286 4.636 4.350 0.001 0.000 0.189 183 E C 1.322 177.945 176.600 0.038 0.000 0.980 183 E CA 0.374 56.788 56.400 0.023 0.000 0.803 183 E CB -0.434 29.273 29.700 0.012 0.000 0.766 183 E HN 0.700 nan 8.360 nan 0.000 0.449 184 A N 1.422 124.279 122.820 0.062 0.000 2.653 184 A HA -0.011 4.309 4.320 0.001 0.000 0.227 184 A C 0.574 178.190 177.584 0.052 0.000 1.066 184 A CA 1.172 53.254 52.037 0.075 0.000 0.771 184 A CB -0.202 18.864 19.000 0.110 0.000 0.980 184 A HN 0.332 nan 8.150 nan 0.000 0.507 185 T N -1.450 113.133 114.554 0.049 0.000 2.858 185 T HA 0.574 4.925 4.350 0.001 0.000 0.285 185 T C 0.735 175.455 174.700 0.035 0.000 1.052 185 T CA 0.159 62.276 62.100 0.028 0.000 1.009 185 T CB 0.963 69.838 68.868 0.011 0.000 1.241 185 T HN 0.721 nan 8.240 nan 0.000 0.542 186 E N 1.292 121.495 120.200 0.006 0.000 2.295 186 E HA -0.340 4.010 4.350 0.001 0.000 0.240 186 E C 2.177 178.776 176.600 -0.001 0.000 0.917 186 E CA 3.294 59.687 56.400 -0.012 0.000 0.956 186 E CB -1.041 28.607 29.700 -0.087 0.000 0.956 186 E HN 0.826 nan 8.360 nan 0.000 0.549 187 S N 0.259 115.908 115.700 -0.085 0.000 2.400 187 S HA -0.320 4.151 4.470 0.001 0.000 0.234 187 S C 1.799 176.419 174.600 0.034 0.000 1.049 187 S CA 1.759 59.910 58.200 -0.082 0.000 1.039 187 S CB -0.768 62.388 63.200 -0.073 0.000 0.856 187 S HN 0.386 nan 8.310 nan 0.000 0.465 188 D N 1.750 122.184 120.400 0.055 0.000 2.103 188 D HA -0.076 4.564 4.640 0.001 0.000 0.190 188 D C 2.096 178.477 176.300 0.135 0.000 0.997 188 D CA 1.586 55.640 54.000 0.091 0.000 0.833 188 D CB -0.300 40.553 40.800 0.089 0.000 0.961 188 D HN 0.374 nan 8.370 nan 0.000 0.447 189 L N 0.026 121.346 121.223 0.161 0.000 1.956 189 L HA -0.249 4.092 4.340 0.001 0.000 0.216 189 L C 2.696 179.683 176.870 0.194 0.000 1.073 189 L CA 1.354 56.296 54.840 0.170 0.000 0.762 189 L CB -0.966 41.187 42.059 0.156 0.000 0.889 189 L HN 0.111 nan 8.230 nan 0.000 0.433 190 Y N 0.612 120.920 120.300 0.012 0.000 2.271 190 Y HA -0.305 4.246 4.550 0.001 0.000 0.284 190 Y C 2.530 178.428 175.900 -0.003 0.000 1.189 190 Y CA 1.441 59.541 58.100 -0.001 0.000 1.229 190 Y CB -0.604 37.850 38.460 -0.010 0.000 0.973 190 Y HN 0.200 nan 8.280 nan 0.000 0.537 191 K N -0.570 119.929 120.400 0.166 0.000 2.365 191 K HA 0.057 4.377 4.320 0.001 0.000 0.197 191 K C 1.389 178.018 176.600 0.048 0.000 1.042 191 K CA 0.586 56.923 56.287 0.084 0.000 0.987 191 K CB -0.019 32.519 32.500 0.064 0.000 0.779 191 K HN 0.319 nan 8.250 nan 0.000 0.484 192 L N 0.055 121.321 121.223 0.071 0.000 2.554 192 L HA 0.116 4.456 4.340 0.001 0.000 0.225 192 L C 0.692 177.584 176.870 0.037 0.000 1.104 192 L CA 0.277 55.156 54.840 0.065 0.000 0.866 192 L CB 0.038 42.196 42.059 0.164 0.000 1.047 192 L HN 0.053 nan 8.230 nan 0.000 0.468 193 K N -1.753 118.656 120.400 0.014 0.000 3.578 193 K HA -0.135 4.185 4.320 0.001 0.000 0.268 193 K C 0.033 176.596 176.600 -0.062 0.000 0.986 193 K CA 0.801 57.068 56.287 -0.034 0.000 1.133 193 K CB -0.808 31.678 32.500 -0.024 0.000 1.317 193 K HN 0.194 nan 8.250 nan 0.000 0.517 194 E N 1.615 121.804 120.200 -0.019 0.000 2.415 194 E HA -0.011 4.339 4.350 0.001 0.000 0.263 194 E C 0.143 176.702 176.600 -0.069 0.000 0.995 194 E CA 0.183 56.572 56.400 -0.019 0.000 0.915 194 E CB 0.863 30.569 29.700 0.010 0.000 0.951 194 E HN 0.260 nan 8.360 nan 0.000 0.449 195 C N 6.763 126.027 119.300 -0.060 0.000 2.653 195 C HA 0.092 4.553 4.460 0.001 0.000 0.421 195 C C -0.554 174.452 174.990 0.026 0.000 1.334 195 C CA -1.492 57.474 59.018 -0.088 0.000 1.885 195 C CB -0.004 27.731 27.740 -0.009 0.000 2.645 195 C HN 0.598 nan 8.230 nan 0.000 0.601 196 P HA -0.096 nan 4.420 nan 0.000 0.222 196 P C 1.196 178.490 177.300 -0.011 0.000 1.147 196 P CA 1.670 64.806 63.100 0.060 0.000 0.790 196 P CB -0.054 31.735 31.700 0.148 0.000 0.780 197 F N 0.762 120.714 119.950 0.004 0.000 2.234 197 F HA 0.016 4.544 4.527 0.001 0.000 0.296 197 F C 1.147 177.061 175.800 0.190 0.000 1.089 197 F CA 0.468 58.486 58.000 0.030 0.000 1.343 197 F CB -1.440 37.469 39.000 -0.151 0.000 1.040 197 F HN -0.102 nan 8.300 nan 0.000 0.498 198 D N 1.833 122.449 120.400 0.359 0.000 2.518 198 D HA -0.114 4.527 4.640 0.001 0.000 0.270 198 D C 1.482 177.889 176.300 0.179 0.000 1.338 198 D CA 0.059 54.239 54.000 0.301 0.000 0.983 198 D CB 0.292 41.227 40.800 0.225 0.000 1.126 198 D HN 0.063 nan 8.370 nan 0.000 0.543 199 M N 2.696 122.408 119.600 0.186 0.000 2.659 199 M HA 0.183 4.663 4.480 0.001 0.000 0.243 199 M C 1.082 177.364 176.300 -0.029 0.000 1.111 199 M CA 0.781 56.129 55.300 0.080 0.000 1.070 199 M CB -1.441 31.215 32.600 0.094 0.000 1.525 199 M HN 0.300 nan 8.290 nan 0.000 0.517 200 G N 1.324 110.061 108.800 -0.104 0.000 2.581 200 G HA2 -0.047 3.914 3.960 0.001 0.000 0.291 200 G HA3 -0.047 3.914 3.960 0.001 0.000 0.291 200 G C 0.745 175.451 174.900 -0.324 0.000 1.277 200 G CA 1.012 45.823 45.100 -0.482 0.000 0.959 200 G HN 1.836 nan 8.290 nan 0.000 0.554 201 G N -3.058 105.526 108.800 -0.361 0.000 2.142 201 G HA2 0.299 4.260 3.960 0.001 0.000 0.225 201 G HA3 0.299 4.260 3.960 0.001 0.000 0.225 201 G C 0.133 175.026 174.900 -0.013 0.000 1.015 201 G CA 1.458 46.475 45.100 -0.138 0.000 0.716 201 G HN 2.452 nan 8.290 nan 0.000 0.508 202 Y N -2.347 117.947 120.300 -0.010 0.000 2.677 202 Y HA 0.879 5.429 4.550 0.001 0.000 0.334 202 Y C -0.615 175.394 175.900 0.182 0.000 1.154 202 Y CA -3.465 54.702 58.100 0.111 0.000 1.070 202 Y CB 0.580 39.030 38.460 -0.017 0.000 1.294 202 Y HN 0.016 nan 8.280 nan 0.000 0.475 203 F N 0.773 120.841 119.950 0.196 0.000 2.509 203 F HA 0.726 5.254 4.527 0.001 0.000 0.334 203 F C -0.382 175.522 175.800 0.173 0.000 1.060 203 F CA -2.068 55.995 58.000 0.105 0.000 0.997 203 F CB 1.572 40.570 39.000 -0.003 0.000 1.271 203 F HN 0.370 nan 8.300 nan 0.000 0.488 204 I N 3.116 123.871 120.570 0.308 0.000 2.542 204 I HA 0.296 4.466 4.170 0.001 0.000 0.278 204 I C -1.393 174.826 176.117 0.169 0.000 1.069 204 I CA -0.220 61.196 61.300 0.193 0.000 1.100 204 I CB 0.990 39.074 38.000 0.140 0.000 1.204 204 I HN 0.229 nan 8.210 nan 0.000 0.470 205 I N 4.864 125.510 120.570 0.127 0.000 2.493 205 I HA 0.329 4.500 4.170 0.001 0.000 0.298 205 I C 0.815 176.963 176.117 0.052 0.000 0.998 205 I CA -0.601 60.756 61.300 0.096 0.000 1.137 205 I CB 1.035 39.086 38.000 0.085 0.000 1.310 205 I HN 0.366 nan 8.210 nan 0.000 0.445 206 N N 4.805 123.527 118.700 0.038 0.000 2.782 206 N HA -0.246 4.494 4.740 0.001 0.000 0.274 206 N C 0.777 176.290 175.510 0.006 0.000 0.962 206 N CA 1.319 54.373 53.050 0.007 0.000 0.848 206 N CB -0.421 38.062 38.487 -0.007 0.000 0.923 206 N HN 1.109 nan 8.380 nan 0.000 0.575 207 G N -1.595 107.221 108.800 0.027 0.000 2.780 207 G HA2 -0.282 3.678 3.960 0.001 0.000 0.237 207 G HA3 -0.282 3.678 3.960 0.001 0.000 0.237 207 G C 0.134 175.058 174.900 0.039 0.000 1.965 207 G CA 0.368 45.495 45.100 0.046 0.000 1.577 207 G HN 0.937 nan 8.290 nan 0.000 0.543 208 S N 1.031 116.741 115.700 0.016 0.000 2.641 208 S HA 0.580 5.051 4.470 0.001 0.000 0.261 208 S C -0.062 174.521 174.600 -0.030 0.000 1.257 208 S CA 0.324 58.513 58.200 -0.019 0.000 0.983 208 S CB 1.194 64.371 63.200 -0.038 0.000 0.990 208 S HN 0.682 nan 8.310 nan 0.000 0.572 209 E N 0.786 120.920 120.200 -0.110 0.000 2.081 209 E HA 0.288 4.639 4.350 0.001 0.000 0.281 209 E C -0.659 175.851 176.600 -0.149 0.000 0.986 209 E CA -0.562 55.730 56.400 -0.181 0.000 0.796 209 E CB 0.741 30.128 29.700 -0.521 0.000 1.085 209 E HN 0.275 nan 8.360 nan 0.000 0.398 210 K N 2.314 122.692 120.400 -0.037 0.000 2.183 210 K HA 0.369 4.690 4.320 0.001 0.000 0.274 210 K C -0.644 175.900 176.600 -0.094 0.000 1.009 210 K CA -0.691 55.554 56.287 -0.071 0.000 0.888 210 K CB 1.893 34.360 32.500 -0.055 0.000 1.078 210 K HN 0.245 nan 8.250 nan 0.000 0.459 211 V N 4.925 124.726 119.914 -0.188 0.000 2.384 211 V HA 0.339 4.459 4.120 0.001 0.000 0.287 211 V C 0.299 176.234 176.094 -0.266 0.000 1.020 211 V CA -0.949 61.209 62.300 -0.237 0.000 0.850 211 V CB 1.313 32.858 31.823 -0.463 0.000 0.987 211 V HN 0.570 nan 8.190 nan 0.000 0.436 212 L N 5.544 126.591 121.223 -0.294 0.000 2.380 212 L HA 0.416 4.757 4.340 0.001 0.000 0.273 212 L C -0.363 176.354 176.870 -0.253 0.000 1.138 212 L CA -0.186 54.456 54.840 -0.331 0.000 0.832 212 L CB 0.754 42.590 42.059 -0.372 0.000 1.124 212 L HN 0.404 nan 8.230 nan 0.000 0.454 213 I N 2.464 122.882 120.570 -0.254 0.000 2.460 213 I HA 0.332 4.503 4.170 0.001 0.000 0.298 213 I C 0.680 176.691 176.117 -0.176 0.000 0.989 213 I CA -0.727 60.466 61.300 -0.178 0.000 1.173 213 I CB 1.564 39.488 38.000 -0.126 0.000 1.338 213 I HN 0.633 nan 8.210 nan 0.000 0.456 214 A N 6.523 129.270 122.820 -0.120 0.000 2.603 214 A HA 0.029 4.349 4.320 0.001 0.000 0.235 214 A C 0.164 177.682 177.584 -0.111 0.000 1.035 214 A CA 0.234 52.210 52.037 -0.101 0.000 0.755 214 A CB -0.114 18.851 19.000 -0.057 0.000 0.954 214 A HN 0.643 nan 8.150 nan 0.000 0.511 215 Q N 1.554 121.286 119.800 -0.114 0.000 2.508 215 Q HA 0.215 4.555 4.340 0.001 0.000 0.247 215 Q C -0.310 175.647 176.000 -0.071 0.000 1.047 215 Q CA -0.101 55.636 55.803 -0.110 0.000 0.783 215 Q CB 1.207 29.852 28.738 -0.155 0.000 1.172 215 Q HN 0.916 nan 8.270 nan 0.000 0.515 216 E N 2.671 122.846 120.200 -0.042 0.000 2.392 216 E HA 0.215 4.566 4.350 0.001 0.000 0.264 216 E C -0.427 176.155 176.600 -0.030 0.000 1.024 216 E CA -0.006 56.380 56.400 -0.022 0.000 0.903 216 E CB 0.555 30.276 29.700 0.034 0.000 0.963 216 E HN 0.407 nan 8.360 nan 0.000 0.432 217 R N 1.048 121.522 120.500 -0.044 0.000 2.690 217 R HA 0.253 4.594 4.340 0.001 0.000 0.269 217 R C -1.397 174.871 176.300 -0.053 0.000 1.037 217 R CA -0.771 55.305 56.100 -0.039 0.000 0.877 217 R CB 0.726 31.002 30.300 -0.040 0.000 1.255 217 R HN 0.254 nan 8.270 nan 0.000 0.467 218 S N 1.132 116.809 115.700 -0.037 0.000 2.516 218 S HA 0.523 4.994 4.470 0.001 0.000 0.282 218 S C 0.552 175.113 174.600 -0.064 0.000 1.286 218 S CA 0.174 58.350 58.200 -0.041 0.000 1.066 218 S CB -0.105 63.089 63.200 -0.010 0.000 0.884 218 S HN 0.827 nan 8.310 nan 0.000 0.491 219 A N 4.432 127.195 122.820 -0.095 0.000 2.339 219 A HA 0.580 4.901 4.320 0.001 0.000 0.272 219 A C 0.896 178.413 177.584 -0.110 0.000 1.182 219 A CA 0.297 52.258 52.037 -0.127 0.000 0.819 219 A CB -0.618 18.275 19.000 -0.178 0.000 1.115 219 A HN 1.090 nan 8.150 nan 0.000 0.512 220 G N -2.457 106.260 108.800 -0.138 0.000 3.105 220 G HA2 0.456 4.416 3.960 0.001 0.000 0.277 220 G HA3 0.456 4.416 3.960 0.001 0.000 0.277 220 G C -0.375 174.432 174.900 -0.155 0.000 1.375 220 G CA -0.174 44.852 45.100 -0.124 0.000 0.962 220 G HN 0.982 nan 8.290 nan 0.000 0.541 221 N N -0.901 117.691 118.700 -0.180 0.000 2.716 221 N HA -0.165 4.576 4.740 0.001 0.000 0.250 221 N C -0.529 174.905 175.510 -0.125 0.000 1.033 221 N CA 1.211 54.100 53.050 -0.267 0.000 0.727 221 N CB -1.007 37.293 38.487 -0.311 0.000 0.950 221 N HN 0.505 nan 8.380 nan 0.000 0.541 222 I N -0.382 120.133 120.570 -0.092 0.000 2.686 222 I HA 0.263 4.433 4.170 0.001 0.000 0.295 222 I C 0.418 176.477 176.117 -0.095 0.000 1.114 222 I CA -1.328 59.937 61.300 -0.058 0.000 1.038 222 I CB 2.371 40.336 38.000 -0.058 0.000 1.238 222 I HN -0.133 nan 8.210 nan 0.000 0.420 223 V N 2.854 122.695 119.914 -0.122 0.000 2.555 223 V HA 0.487 4.608 4.120 0.001 0.000 0.286 223 V C -0.454 175.490 176.094 -0.250 0.000 1.044 223 V CA -0.056 62.124 62.300 -0.200 0.000 1.026 223 V CB 0.885 32.558 31.823 -0.250 0.000 0.981 223 V HN 0.845 nan 8.190 nan 0.000 0.480 224 Q N 3.216 122.802 119.800 -0.357 0.000 2.309 224 Q HA 0.645 4.985 4.340 0.001 0.000 0.273 224 Q C -1.152 174.409 176.000 -0.731 0.000 1.040 224 Q CA -0.891 54.614 55.803 -0.496 0.000 0.834 224 Q CB 2.921 31.342 28.738 -0.528 0.000 1.345 224 Q HN 0.990 nan 8.270 nan 0.000 0.414 225 V N -0.615 118.976 119.914 -0.539 0.000 2.427 225 V HA 0.723 4.843 4.120 0.001 0.000 0.286 225 V C -0.826 175.144 176.094 -0.207 0.000 1.034 225 V CA -0.382 61.676 62.300 -0.402 0.000 0.893 225 V CB 0.417 32.106 31.823 -0.223 0.000 0.982 225 V HN 0.649 nan 8.190 nan 0.000 0.452 226 F N 1.975 121.856 119.950 -0.114 0.000 2.565 226 F HA 0.586 5.114 4.527 0.001 0.000 0.313 226 F C 0.373 176.095 175.800 -0.131 0.000 1.091 226 F CA -1.225 56.708 58.000 -0.111 0.000 0.915 226 F CB 2.618 41.576 39.000 -0.070 0.000 1.208 226 F HN 0.403 nan 8.300 nan 0.000 0.453 227 K N 2.652 123.079 120.400 0.044 0.000 2.174 227 K HA 0.337 4.658 4.320 0.001 0.000 0.275 227 K C -0.493 176.151 176.600 0.073 0.000 1.015 227 K CA -0.954 55.331 56.287 -0.004 0.000 0.933 227 K CB 1.192 33.647 32.500 -0.075 0.000 1.025 227 K HN 0.304 nan 8.250 nan 0.000 0.463 228 K N 1.472 121.939 120.400 0.112 0.000 2.159 228 K HA 0.304 4.625 4.320 0.001 0.000 0.266 228 K C -0.148 176.477 176.600 0.041 0.000 0.975 228 K CA -0.490 55.831 56.287 0.057 0.000 0.865 228 K CB 1.726 34.248 32.500 0.035 0.000 1.087 228 K HN 0.804 nan 8.250 nan 0.000 0.446 229 A N 1.936 124.765 122.820 0.016 0.000 2.644 229 A HA 0.036 4.357 4.320 0.001 0.000 0.230 229 A C 1.510 179.101 177.584 0.013 0.000 1.080 229 A CA 1.104 53.147 52.037 0.009 0.000 0.773 229 A CB -0.143 18.856 19.000 -0.001 0.000 1.007 229 A HN 0.848 nan 8.150 nan 0.000 0.512 230 A N 1.709 124.535 122.820 0.010 0.000 1.892 230 A HA -0.012 4.308 4.320 0.001 0.000 0.218 230 A C -0.624 176.963 177.584 0.005 0.000 1.188 230 A CA 1.828 53.871 52.037 0.009 0.000 0.631 230 A CB -1.470 17.534 19.000 0.007 0.000 0.822 230 A HN 0.773 nan 8.150 nan 0.000 0.447 231 P HA 0.316 nan 4.420 nan 0.000 0.247 231 P C -0.735 176.566 177.300 0.001 0.000 1.756 231 P CA 0.449 63.551 63.100 0.003 0.000 1.117 231 P CB 0.413 32.115 31.700 0.002 0.000 1.869 232 S N 3.860 119.559 115.700 -0.001 0.000 2.560 232 S HA 0.380 4.851 4.470 0.001 0.000 0.283 232 S C -2.256 172.335 174.600 -0.015 0.000 1.141 232 S CA -0.946 57.249 58.200 -0.010 0.000 0.902 232 S CB 1.478 64.668 63.200 -0.016 0.000 1.104 232 S HN 0.074 nan 8.310 nan 0.000 0.454 233 P HA 0.151 nan 4.420 nan 0.000 0.225 233 P C 0.136 177.382 177.300 -0.089 0.000 1.156 233 P CA 0.422 63.525 63.100 0.006 0.000 0.787 233 P CB -0.035 31.709 31.700 0.073 0.000 0.802 234 I N 0.220 120.688 120.570 -0.169 0.000 2.365 234 I HA 0.109 4.280 4.170 0.001 0.000 0.291 234 I C 1.880 177.932 176.117 -0.107 0.000 1.004 234 I CA 0.018 61.178 61.300 -0.234 0.000 1.311 234 I CB 1.094 38.935 38.000 -0.266 0.000 1.401 234 I HN -0.160 nan 8.210 nan 0.000 0.491 235 S N 5.467 121.097 115.700 -0.118 0.000 2.303 235 S HA 0.176 4.647 4.470 0.001 0.000 0.207 235 S C 0.456 175.090 174.600 0.055 0.000 1.025 235 S CA 0.768 58.889 58.200 -0.133 0.000 0.953 235 S CB -0.023 62.987 63.200 -0.317 0.000 0.932 235 S HN 0.663 nan 8.310 nan 0.000 0.472 236 H N -1.187 117.850 119.070 -0.054 0.000 2.865 236 H HA 0.739 5.296 4.556 0.001 0.000 0.372 236 H C -1.520 173.768 175.328 -0.066 0.000 1.173 236 H CA -1.279 54.743 56.048 -0.044 0.000 1.147 236 H CB 2.096 31.832 29.762 -0.045 0.000 1.805 236 H HN 0.173 nan 8.280 nan 0.000 0.553 237 V N 0.743 120.696 119.914 0.066 0.000 2.971 237 V HA 0.598 4.718 4.120 0.001 0.000 0.309 237 V C -0.889 175.120 176.094 -0.143 0.000 1.130 237 V CA -0.839 61.441 62.300 -0.033 0.000 0.964 237 V CB 1.932 33.740 31.823 -0.024 0.000 1.029 237 V HN 0.909 nan 8.190 nan 0.000 0.427 238 A N 2.989 125.708 122.820 -0.168 0.000 2.304 238 A HA 0.843 5.163 4.320 0.001 0.000 0.314 238 A C -0.521 176.923 177.584 -0.233 0.000 1.187 238 A CA -0.517 51.363 52.037 -0.261 0.000 0.810 238 A CB 0.734 19.604 19.000 -0.217 0.000 1.183 238 A HN 0.834 nan 8.150 nan 0.000 0.487 239 E N 1.284 121.290 120.200 -0.323 0.000 2.227 239 E HA 0.683 5.034 4.350 0.001 0.000 0.268 239 E C -1.388 175.100 176.600 -0.187 0.000 0.907 239 E CA -0.566 55.708 56.400 -0.209 0.000 0.786 239 E CB 2.830 32.430 29.700 -0.167 0.000 1.191 239 E HN 0.619 nan 8.360 nan 0.000 0.411 240 I N 1.386 121.888 120.570 -0.113 0.000 2.644 240 I HA 0.322 4.493 4.170 0.001 0.000 0.291 240 I C -1.465 174.602 176.117 -0.083 0.000 1.180 240 I CA -0.631 60.616 61.300 -0.089 0.000 1.040 240 I CB 1.435 39.414 38.000 -0.034 0.000 1.255 240 I HN 0.433 nan 8.210 nan 0.000 0.422 241 R N 5.093 125.538 120.500 -0.092 0.000 2.310 241 R HA 0.485 4.826 4.340 0.001 0.000 0.324 241 R C -0.680 175.545 176.300 -0.126 0.000 0.955 241 R CA -0.617 55.432 56.100 -0.086 0.000 0.830 241 R CB 1.699 31.962 30.300 -0.060 0.000 1.154 241 R HN 0.658 nan 8.270 nan 0.000 0.458 242 S N 1.108 116.741 115.700 -0.113 0.000 2.565 242 S HA 0.855 5.325 4.470 0.001 0.000 0.290 242 S C -0.420 174.162 174.600 -0.030 0.000 1.150 242 S CA -0.905 57.223 58.200 -0.119 0.000 1.058 242 S CB 2.218 65.384 63.200 -0.057 0.000 1.032 242 S HN 0.703 nan 8.310 nan 0.000 0.510 243 A N 2.428 125.245 122.820 -0.005 0.000 2.500 243 A HA 0.498 4.819 4.320 0.001 0.000 0.291 243 A C -0.686 176.930 177.584 0.052 0.000 1.048 243 A CA -0.820 51.242 52.037 0.042 0.000 0.791 243 A CB 0.497 19.513 19.000 0.027 0.000 1.309 243 A HN 0.873 nan 8.150 nan 0.000 0.397 244 L N 2.781 124.048 121.223 0.073 0.000 2.700 244 L HA -0.043 4.298 4.340 0.001 0.000 0.272 244 L C 1.634 178.533 176.870 0.048 0.000 1.176 244 L CA 0.228 55.100 54.840 0.054 0.000 0.961 244 L CB 0.193 42.276 42.059 0.039 0.000 1.249 244 L HN 0.933 nan 8.230 nan 0.000 0.487 245 E N 2.949 123.176 120.200 0.045 0.000 2.394 245 E HA -0.161 4.189 4.350 0.001 0.000 0.202 245 E C -0.179 176.453 176.600 0.053 0.000 1.029 245 E CA 1.183 57.609 56.400 0.043 0.000 0.855 245 E CB 0.139 29.864 29.700 0.043 0.000 0.770 245 E HN 0.505 nan 8.360 nan 0.000 0.527 246 K N -1.698 118.733 120.400 0.051 0.000 2.598 246 K HA 0.361 4.681 4.320 0.001 0.000 0.271 246 K C -0.834 175.787 176.600 0.036 0.000 0.947 246 K CA -0.043 56.278 56.287 0.056 0.000 0.854 246 K CB 2.239 34.776 32.500 0.062 0.000 1.401 246 K HN 0.050 nan 8.250 nan 0.000 0.415 247 G N 1.199 110.017 108.800 0.031 0.000 2.956 247 G HA2 -0.092 3.868 3.960 0.001 0.000 0.263 247 G HA3 -0.092 3.868 3.960 0.001 0.000 0.263 247 G C 0.217 175.096 174.900 -0.035 0.000 1.090 247 G CA 0.785 45.884 45.100 -0.001 0.000 1.185 247 G HN 0.979 nan 8.290 nan 0.000 0.566 248 S N 0.038 115.718 115.700 -0.033 0.000 2.105 248 S HA -0.305 4.165 4.470 0.001 0.000 0.242 248 S C 1.306 175.912 174.600 0.009 0.000 1.128 248 S CA 1.979 60.139 58.200 -0.067 0.000 1.482 248 S CB -1.335 61.738 63.200 -0.211 0.000 1.865 248 S HN 2.298 nan 8.310 nan 0.000 0.577 249 R N 0.166 120.691 120.500 0.041 0.000 2.965 249 R HA -0.144 4.197 4.340 0.001 0.000 0.245 249 R C -0.284 176.142 176.300 0.209 0.000 0.861 249 R CA 1.067 57.228 56.100 0.101 0.000 0.614 249 R CB -2.263 28.091 30.300 0.090 0.000 1.229 249 R HN 0.584 nan 8.270 nan 0.000 0.503 250 F N 1.866 121.823 119.950 0.011 0.000 2.487 250 F HA 0.075 4.603 4.527 0.001 0.000 0.364 250 F C 1.225 177.030 175.800 0.008 0.000 1.126 250 F CA -0.511 57.495 58.000 0.012 0.000 1.135 250 F CB 0.415 39.413 39.000 -0.003 0.000 1.127 250 F HN 0.203 nan 8.300 nan 0.000 0.559 251 I N 5.299 125.941 120.570 0.121 0.000 2.316 251 I HA 0.100 4.271 4.170 0.001 0.000 0.286 251 I C -0.188 175.907 176.117 -0.037 0.000 1.107 251 I CA -0.192 61.128 61.300 0.033 0.000 1.219 251 I CB 0.165 38.186 38.000 0.035 0.000 1.455 251 I HN 0.361 nan 8.210 nan 0.000 0.498 252 S N 2.696 118.362 115.700 -0.058 0.000 2.537 252 S HA 0.600 5.070 4.470 0.001 0.000 0.301 252 S C -0.073 174.492 174.600 -0.058 0.000 1.092 252 S CA -0.691 57.461 58.200 -0.079 0.000 1.048 252 S CB 1.947 65.074 63.200 -0.122 0.000 1.053 252 S HN 0.346 nan 8.310 nan 0.000 0.501 253 T N 2.417 116.943 114.554 -0.046 0.000 2.922 253 T HA 0.556 4.907 4.350 0.001 0.000 0.285 253 T C -0.832 173.839 174.700 -0.048 0.000 1.005 253 T CA -0.482 61.592 62.100 -0.044 0.000 1.061 253 T CB 0.839 69.692 68.868 -0.026 0.000 1.007 253 T HN 0.589 nan 8.240 nan 0.000 0.502 254 L N 2.980 124.168 121.223 -0.058 0.000 2.343 254 L HA 0.426 4.766 4.340 0.001 0.000 0.278 254 L C -0.665 176.181 176.870 -0.040 0.000 0.996 254 L CA -0.238 54.566 54.840 -0.060 0.000 0.831 254 L CB 1.371 43.362 42.059 -0.113 0.000 1.232 254 L HN 0.569 nan 8.230 nan 0.000 0.413 255 Q N 4.011 123.804 119.800 -0.012 0.000 2.256 255 Q HA 0.646 4.987 4.340 0.001 0.000 0.257 255 Q C -1.228 174.774 176.000 0.003 0.000 0.936 255 Q CA -0.800 54.995 55.803 -0.013 0.000 0.903 255 Q CB 2.805 31.544 28.738 0.000 0.000 1.263 255 Q HN 0.529 nan 8.270 nan 0.000 0.440 256 V N 3.246 123.149 119.914 -0.020 0.000 2.380 256 V HA 0.240 4.360 4.120 0.001 0.000 0.272 256 V C -0.162 175.921 176.094 -0.018 0.000 1.011 256 V CA -0.711 61.585 62.300 -0.007 0.000 0.826 256 V CB 0.779 32.585 31.823 -0.027 0.000 1.040 256 V HN 0.663 nan 8.190 nan 0.000 0.441 257 K N 2.829 123.229 120.400 0.001 0.000 2.583 257 K HA 0.748 5.068 4.320 0.001 0.000 0.266 257 K C -0.584 176.010 176.600 -0.010 0.000 1.037 257 K CA -0.753 55.507 56.287 -0.044 0.000 0.996 257 K CB 0.658 33.079 32.500 -0.131 0.000 1.307 257 K HN 0.398 nan 8.250 nan 0.000 0.502 258 L N 0.441 121.624 121.223 -0.066 0.000 2.513 258 L HA 0.256 4.596 4.340 0.001 0.000 0.256 258 L C -1.559 175.291 176.870 -0.033 0.000 1.163 258 L CA -0.298 54.543 54.840 0.002 0.000 0.895 258 L CB -0.278 41.760 42.059 -0.035 0.000 1.076 258 L HN 0.457 nan 8.230 nan 0.000 0.491 259 Y N 2.281 122.571 120.300 -0.017 0.000 2.285 259 Y HA 0.439 4.989 4.550 0.001 0.000 0.356 259 Y C 1.646 177.526 175.900 -0.033 0.000 1.267 259 Y CA 1.165 59.255 58.100 -0.016 0.000 1.574 259 Y CB 0.208 38.666 38.460 -0.002 0.000 1.378 259 Y HN 0.908 nan 8.280 nan 0.000 0.679 260 G N 1.841 110.728 108.800 0.144 0.000 2.675 260 G HA2 -0.246 3.715 3.960 0.001 0.000 0.196 260 G HA3 -0.246 3.715 3.960 0.001 0.000 0.196 260 G C 0.022 174.914 174.900 -0.013 0.000 0.679 260 G CA -0.439 44.694 45.100 0.055 0.000 0.886 260 G HN 0.569 nan 8.290 nan 0.000 0.320 261 R N 1.108 121.594 120.500 -0.024 0.000 3.064 261 R HA 0.128 4.468 4.340 0.001 0.000 0.280 261 R C 0.963 177.222 176.300 -0.068 0.000 1.182 261 R CA -0.089 55.975 56.100 -0.059 0.000 1.155 261 R CB 0.381 30.662 30.300 -0.033 0.000 1.112 261 R HN 0.682 nan 8.270 nan 0.000 0.564 262 E N 0.192 120.346 120.200 -0.076 0.000 1.774 262 E HA 0.047 4.398 4.350 0.001 0.000 0.265 262 E C 0.209 176.787 176.600 -0.036 0.000 1.207 262 E CA 0.338 56.699 56.400 -0.065 0.000 1.054 262 E CB -0.416 29.252 29.700 -0.053 0.000 1.074 262 E HN 0.719 nan 8.360 nan 0.000 0.433 263 G N 2.479 111.260 108.800 -0.032 0.000 4.386 263 G HA2 -0.229 3.731 3.960 0.001 0.000 0.185 263 G HA3 -0.229 3.731 3.960 0.001 0.000 0.185 263 G C 0.007 174.899 174.900 -0.012 0.000 1.725 263 G CA -0.157 44.932 45.100 -0.018 0.000 0.941 263 G HN 0.591 nan 8.290 nan 0.000 0.315 264 S N 2.228 117.924 115.700 -0.007 0.000 2.596 264 S HA 0.425 4.895 4.470 0.001 0.000 0.298 264 S C 0.826 175.426 174.600 0.001 0.000 1.255 264 S CA 0.697 58.898 58.200 0.001 0.000 1.083 264 S CB 0.508 63.714 63.200 0.011 0.000 0.837 264 S HN 1.881 nan 8.310 nan 0.000 0.499 265 S N 2.722 118.423 115.700 0.001 0.000 2.566 265 S HA 0.446 4.917 4.470 0.001 0.000 0.280 265 S C 0.812 175.415 174.600 0.004 0.000 1.343 265 S CA -0.488 57.711 58.200 -0.000 0.000 1.036 265 S CB 0.056 63.255 63.200 -0.000 0.000 0.866 265 S HN 2.467 nan 8.310 nan 0.000 0.526 266 A N 1.113 123.934 122.820 0.002 0.000 3.134 266 A HA -0.109 4.212 4.320 0.001 0.000 0.275 266 A C 0.436 178.030 177.584 0.018 0.000 1.378 266 A CA -0.035 52.005 52.037 0.005 0.000 0.741 266 A CB -2.023 16.979 19.000 0.003 0.000 1.042 266 A HN 0.742 nan 8.150 nan 0.000 0.471 267 R N 1.067 121.573 120.500 0.011 0.000 4.045 267 R HA 0.063 4.403 4.340 0.001 0.000 0.174 267 R C 0.792 177.115 176.300 0.038 0.000 1.805 267 R CA 0.832 56.942 56.100 0.017 0.000 1.368 267 R CB -0.663 29.627 30.300 -0.016 0.000 1.362 267 R HN 0.768 nan 8.270 nan 0.000 0.777 268 T N 1.163 115.755 114.554 0.063 0.000 2.930 268 T HA 0.218 4.568 4.350 0.001 0.000 0.306 268 T C 0.536 175.311 174.700 0.125 0.000 1.045 268 T CA -0.242 61.896 62.100 0.065 0.000 1.134 268 T CB 0.386 69.260 68.868 0.010 0.000 0.961 268 T HN 0.310 nan 8.240 nan 0.000 0.545 269 I N 5.347 125.975 120.570 0.097 0.000 2.330 269 I HA 0.417 4.587 4.170 0.001 0.000 0.289 269 I C 0.418 176.607 176.117 0.119 0.000 1.001 269 I CA -0.655 60.711 61.300 0.110 0.000 1.193 269 I CB 1.198 39.239 38.000 0.068 0.000 1.345 269 I HN 0.604 nan 8.210 nan 0.000 0.461 270 K N 4.705 125.215 120.400 0.184 0.000 2.395 270 K HA 0.939 5.259 4.320 0.001 0.000 0.245 270 K C -1.159 175.528 176.600 0.147 0.000 1.017 270 K CA -0.887 55.502 56.287 0.170 0.000 0.852 270 K CB 2.874 35.507 32.500 0.221 0.000 1.311 270 K HN 0.619 nan 8.250 nan 0.000 0.452 271 A N 0.551 123.441 122.820 0.116 0.000 2.604 271 A HA 0.609 4.930 4.320 0.001 0.000 0.295 271 A C -1.305 176.336 177.584 0.095 0.000 1.067 271 A CA -0.672 51.421 52.037 0.093 0.000 0.683 271 A CB 1.765 20.810 19.000 0.075 0.000 1.281 271 A HN 0.497 nan 8.150 nan 0.000 0.407 272 T N 1.927 116.531 114.554 0.083 0.000 2.823 272 T HA 0.673 5.024 4.350 0.001 0.000 0.279 272 T C -0.346 174.404 174.700 0.082 0.000 0.998 272 T CA -0.275 61.871 62.100 0.077 0.000 0.994 272 T CB 0.781 69.686 68.868 0.062 0.000 0.960 272 T HN 0.503 nan 8.240 nan 0.000 0.448 273 L N 3.211 124.490 121.223 0.094 0.000 2.319 273 L HA 0.556 4.896 4.340 0.001 0.000 0.267 273 L C -2.269 174.653 176.870 0.086 0.000 1.011 273 L CA -3.039 51.867 54.840 0.109 0.000 0.818 273 L CB 1.591 43.764 42.059 0.190 0.000 1.316 273 L HN 0.341 nan 8.230 nan 0.000 0.432 274 P HA -0.089 nan 4.420 nan 0.000 0.260 274 P C -0.979 176.484 177.300 0.271 0.000 1.185 274 P CA 0.500 63.677 63.100 0.129 0.000 0.763 274 P CB 0.058 31.754 31.700 -0.007 0.000 0.776 275 Y N 0.372 120.647 120.300 -0.042 0.000 4.234 275 Y HA -0.153 4.397 4.550 0.001 0.000 0.239 275 Y C 0.465 176.345 175.900 -0.033 0.000 1.197 275 Y CA -0.101 57.986 58.100 -0.021 0.000 2.027 275 Y CB -2.481 35.958 38.460 -0.035 0.000 1.619 275 Y HN 0.424 nan 8.280 nan 0.000 0.704 276 I N 1.095 121.729 120.570 0.107 0.000 2.460 276 I HA 0.106 4.277 4.170 0.001 0.000 0.277 276 I C 1.202 177.335 176.117 0.026 0.000 1.057 276 I CA -0.902 60.425 61.300 0.045 0.000 1.179 276 I CB 1.092 39.115 38.000 0.039 0.000 1.329 276 I HN -0.022 nan 8.210 nan 0.000 0.478 277 K N 3.400 123.809 120.400 0.015 0.000 2.044 277 K HA -0.255 4.065 4.320 0.001 0.000 0.224 277 K C 1.074 177.676 176.600 0.003 0.000 1.056 277 K CA 1.878 58.166 56.287 0.001 0.000 0.962 277 K CB -0.189 32.307 32.500 -0.007 0.000 0.730 277 K HN 0.601 nan 8.250 nan 0.000 0.453 278 Q N 0.373 120.167 119.800 -0.010 0.000 2.796 278 Q HA 0.090 4.431 4.340 0.001 0.000 0.178 278 Q C -0.749 175.266 176.000 0.024 0.000 1.063 278 Q CA -0.617 55.189 55.803 0.005 0.000 0.848 278 Q CB 1.248 29.976 28.738 -0.016 0.000 3.016 278 Q HN 0.108 nan 8.270 nan 0.000 0.413 279 D N 0.243 120.668 120.400 0.042 0.000 2.340 279 D HA 0.486 5.127 4.640 0.001 0.000 0.243 279 D C -0.681 175.658 176.300 0.066 0.000 0.988 279 D CA -0.310 53.734 54.000 0.074 0.000 0.959 279 D CB 1.526 42.408 40.800 0.137 0.000 1.226 279 D HN 0.404 nan 8.370 nan 0.000 0.509 280 I N 1.144 121.762 120.570 0.081 0.000 2.545 280 I HA 0.234 4.405 4.170 0.001 0.000 0.292 280 I C -2.505 173.667 176.117 0.091 0.000 1.040 280 I CA -2.254 59.105 61.300 0.098 0.000 1.068 280 I CB 2.796 40.837 38.000 0.069 0.000 1.251 280 I HN -0.051 nan 8.210 nan 0.000 0.424 281 P HA 0.166 nan 4.420 nan 0.000 0.276 281 P C 1.100 178.427 177.300 0.045 0.000 1.235 281 P CA -0.198 62.946 63.100 0.073 0.000 0.772 281 P CB 0.821 32.563 31.700 0.070 0.000 0.871 282 I N 1.234 121.812 120.570 0.014 0.000 2.450 282 I HA -0.296 3.875 4.170 0.001 0.000 0.260 282 I C 1.481 177.583 176.117 -0.024 0.000 1.145 282 I CA 1.341 62.587 61.300 -0.090 0.000 1.413 282 I CB -1.259 36.692 38.000 -0.080 0.000 1.090 282 I HN 0.007 nan 8.210 nan 0.000 0.445 283 V N 2.231 122.203 119.914 0.098 0.000 2.222 283 V HA -0.281 3.840 4.120 0.001 0.000 0.240 283 V C 2.545 178.727 176.094 0.148 0.000 1.040 283 V CA 2.297 64.699 62.300 0.170 0.000 0.988 283 V CB -0.925 30.976 31.823 0.131 0.000 0.633 283 V HN 0.383 nan 8.190 nan 0.000 0.452 284 I N 0.233 120.866 120.570 0.104 0.000 2.113 284 I HA -0.346 3.824 4.170 0.001 0.000 0.242 284 I C 2.482 178.645 176.117 0.077 0.000 1.057 284 I CA 2.222 63.582 61.300 0.101 0.000 1.314 284 I CB -0.654 37.434 38.000 0.146 0.000 1.022 284 I HN 0.269 nan 8.210 nan 0.000 0.408 285 I N 0.143 120.725 120.570 0.020 0.000 2.118 285 I HA -0.348 3.823 4.170 0.001 0.000 0.241 285 I C 2.550 178.649 176.117 -0.031 0.000 1.070 285 I CA 1.898 63.149 61.300 -0.081 0.000 1.327 285 I CB -0.531 37.345 38.000 -0.206 0.000 1.034 285 I HN 0.138 nan 8.210 nan 0.000 0.405 286 F N 0.701 120.629 119.950 -0.036 0.000 2.250 286 F HA -0.213 4.315 4.527 0.001 0.000 0.301 286 F C 2.740 178.519 175.800 -0.035 0.000 1.077 286 F CA 0.810 58.781 58.000 -0.047 0.000 1.348 286 F CB -0.081 38.915 39.000 -0.006 0.000 1.040 286 F HN 0.004 nan 8.300 nan 0.000 0.509 287 R N -0.384 120.226 120.500 0.184 0.000 2.090 287 R HA 0.042 4.383 4.340 0.001 0.000 0.219 287 R C 2.321 178.662 176.300 0.067 0.000 1.100 287 R CA 0.832 56.996 56.100 0.107 0.000 0.991 287 R CB -0.521 29.833 30.300 0.090 0.000 0.893 287 R HN 0.121 nan 8.270 nan 0.000 0.443 288 A N 0.897 123.747 122.820 0.050 0.000 2.225 288 A HA -0.089 4.232 4.320 0.001 0.000 0.215 288 A C 1.914 179.498 177.584 0.001 0.000 1.164 288 A CA 0.944 52.993 52.037 0.021 0.000 0.710 288 A CB -0.327 18.675 19.000 0.003 0.000 0.780 288 A HN 0.227 nan 8.150 nan 0.000 0.473 289 L N -2.346 118.886 121.223 0.015 0.000 2.253 289 L HA 0.246 4.587 4.340 0.001 0.000 0.205 289 L C 1.534 178.424 176.870 0.033 0.000 1.078 289 L CA 1.019 55.866 54.840 0.011 0.000 0.805 289 L CB 0.272 42.358 42.059 0.044 0.000 0.963 289 L HN 0.551 nan 8.230 nan 0.000 0.459 290 G N 0.047 108.873 108.800 0.043 0.000 2.165 290 G HA2 -0.109 3.851 3.960 0.001 0.000 0.144 290 G HA3 -0.109 3.851 3.960 0.001 0.000 0.144 290 G C -0.019 174.906 174.900 0.041 0.000 1.049 290 G CA -0.478 44.646 45.100 0.040 0.000 0.741 290 G HN 0.184 nan 8.290 nan 0.000 0.493 291 I N 1.477 122.070 120.570 0.038 0.000 2.976 291 I HA 0.315 4.485 4.170 0.001 0.000 0.328 291 I C 1.886 178.030 176.117 0.046 0.000 1.396 291 I CA -0.626 60.691 61.300 0.027 0.000 0.869 291 I CB 0.127 38.068 38.000 -0.098 0.000 2.156 291 I HN 0.100 nan 8.210 nan 0.000 0.595 292 I N 2.766 123.367 120.570 0.051 0.000 2.113 292 I HA -0.159 4.012 4.170 0.001 0.000 0.242 292 I C -0.901 175.250 176.117 0.057 0.000 1.057 292 I CA 1.422 62.753 61.300 0.053 0.000 1.314 292 I CB -1.061 36.964 38.000 0.042 0.000 1.022 292 I HN 0.309 nan 8.210 nan 0.000 0.408 293 P HA 0.137 nan 4.420 nan 0.000 0.281 293 P C -0.978 176.351 177.300 0.049 0.000 1.249 293 P CA -0.215 62.916 63.100 0.050 0.000 0.810 293 P CB 0.721 32.445 31.700 0.039 0.000 1.008 294 D N 0.353 120.788 120.400 0.058 0.000 2.349 294 D HA 0.193 4.833 4.640 0.001 0.000 0.239 294 D C 1.812 178.127 176.300 0.026 0.000 1.315 294 D CA 0.976 55.007 54.000 0.052 0.000 0.937 294 D CB -0.597 40.235 40.800 0.053 0.000 1.133 294 D HN 0.680 nan 8.370 nan 0.000 0.489 295 G N -0.193 108.619 108.800 0.019 0.000 2.771 295 G HA2 -0.493 3.467 3.960 0.001 0.000 0.239 295 G HA3 -0.493 3.467 3.960 0.001 0.000 0.239 295 G C 1.131 176.018 174.900 -0.023 0.000 1.087 295 G CA 1.188 46.288 45.100 0.002 0.000 0.712 295 G HN 0.607 nan 8.290 nan 0.000 0.541 296 E N 0.199 120.386 120.200 -0.023 0.000 2.107 296 E HA 0.104 4.455 4.350 0.001 0.000 0.191 296 E C 2.656 179.197 176.600 -0.099 0.000 0.982 296 E CA 0.817 57.184 56.400 -0.055 0.000 0.809 296 E CB -0.132 29.567 29.700 -0.002 0.000 0.756 296 E HN 0.683 nan 8.360 nan 0.000 0.459 297 I N 0.914 121.454 120.570 -0.050 0.000 2.202 297 I HA -0.247 3.924 4.170 0.001 0.000 0.242 297 I C 2.051 178.103 176.117 -0.109 0.000 1.091 297 I CA 0.524 61.745 61.300 -0.132 0.000 1.368 297 I CB -0.161 37.802 38.000 -0.063 0.000 1.058 297 I HN 0.239 nan 8.210 nan 0.000 0.410 298 L N 0.640 121.852 121.223 -0.018 0.000 2.263 298 L HA -0.212 4.129 4.340 0.001 0.000 0.216 298 L C 2.403 179.295 176.870 0.037 0.000 1.111 298 L CA 1.758 56.619 54.840 0.034 0.000 0.773 298 L CB -1.285 40.797 42.059 0.039 0.000 0.906 298 L HN 0.418 nan 8.230 nan 0.000 0.439 299 E N -0.995 119.170 120.200 -0.058 0.000 2.107 299 E HA -0.167 4.184 4.350 0.001 0.000 0.191 299 E C 1.965 178.550 176.600 -0.026 0.000 0.982 299 E CA 0.621 56.995 56.400 -0.042 0.000 0.809 299 E CB -0.066 29.537 29.700 -0.162 0.000 0.756 299 E HN 0.635 nan 8.360 nan 0.000 0.459 300 H N 0.158 119.136 119.070 -0.154 0.000 2.491 300 H HA -0.005 4.552 4.556 0.001 0.000 0.290 300 H C 2.066 177.544 175.328 0.250 0.000 1.050 300 H CA 0.820 56.672 56.048 -0.328 0.000 1.309 300 H CB 0.283 29.615 29.762 -0.717 0.000 1.392 300 H HN 0.213 nan 8.280 nan 0.000 0.554 301 I N -0.514 120.257 120.570 0.335 0.000 2.726 301 I HA -0.053 4.117 4.170 0.001 0.000 0.243 301 I C 1.089 177.276 176.117 0.117 0.000 1.082 301 I CA 0.186 61.655 61.300 0.282 0.000 1.447 301 I CB 0.317 38.455 38.000 0.229 0.000 1.250 301 I HN 0.059 nan 8.210 nan 0.000 0.453 302 C N 1.800 121.198 119.300 0.162 0.000 2.307 302 C HA 0.291 4.751 4.460 0.001 0.000 0.340 302 C C 0.394 175.620 174.990 0.393 0.000 1.275 302 C CA -0.380 58.706 59.018 0.114 0.000 1.811 302 C CB -0.913 26.882 27.740 0.093 0.000 2.372 302 C HN 0.399 nan 8.230 nan 0.000 0.531 303 Y N 4.461 124.878 120.300 0.195 0.000 2.897 303 Y HA 0.337 4.888 4.550 0.001 0.000 0.372 303 Y C 0.652 176.666 175.900 0.191 0.000 1.034 303 Y CA -0.590 57.656 58.100 0.244 0.000 1.627 303 Y CB 0.047 38.701 38.460 0.325 0.000 1.474 303 Y HN 0.688 nan 8.280 nan 0.000 0.517 304 D N 0.393 120.960 120.400 0.279 0.000 2.342 304 D HA -0.037 4.604 4.640 0.001 0.000 0.154 304 D C -0.571 175.813 176.300 0.140 0.000 1.159 304 D CA -0.062 54.054 54.000 0.193 0.000 1.206 304 D CB 0.914 41.818 40.800 0.174 0.000 1.872 304 D HN 0.034 nan 8.370 nan 0.000 0.617 305 V N 3.518 123.495 119.914 0.104 0.000 3.394 305 V HA 0.065 4.186 4.120 0.001 0.000 0.340 305 V C 1.127 177.269 176.094 0.080 0.000 1.174 305 V CA 0.556 62.899 62.300 0.071 0.000 1.368 305 V CB -0.972 30.857 31.823 0.009 0.000 1.111 305 V HN 0.401 nan 8.190 nan 0.000 0.420 306 N N 0.315 119.081 118.700 0.110 0.000 2.241 306 N HA 0.077 4.817 4.740 0.001 0.000 0.238 306 N C 0.228 175.863 175.510 0.207 0.000 1.244 306 N CA 0.007 53.131 53.050 0.124 0.000 0.880 306 N CB 0.815 39.359 38.487 0.095 0.000 1.179 306 N HN 0.376 nan 8.380 nan 0.000 0.513 307 D N 1.268 121.790 120.400 0.203 0.000 2.930 307 D HA 0.031 4.672 4.640 0.001 0.000 0.304 307 D C 1.485 177.896 176.300 0.185 0.000 1.298 307 D CA -0.690 53.428 54.000 0.197 0.000 0.949 307 D CB -0.026 40.827 40.800 0.089 0.000 1.013 307 D HN 0.158 nan 8.370 nan 0.000 0.510 308 W N 1.785 123.092 121.300 0.011 0.000 2.305 308 W HA -0.256 4.405 4.660 0.001 0.000 0.308 308 W C 1.262 177.785 176.519 0.006 0.000 1.226 308 W CA 0.650 57.999 57.345 0.006 0.000 1.253 308 W CB -1.102 28.360 29.460 0.003 0.000 1.146 308 W HN 0.232 nan 8.180 nan 0.000 0.507 309 Q N 0.581 119.809 119.800 -0.953 0.000 1.935 309 Q HA -0.311 4.030 4.340 0.001 0.000 0.212 309 Q C 2.507 178.299 176.000 -0.347 0.000 1.008 309 Q CA 2.879 58.179 55.803 -0.838 0.000 0.868 309 Q CB -0.867 27.447 28.738 -0.707 0.000 0.946 309 Q HN 0.413 nan 8.270 nan 0.000 0.418 310 M N 0.617 120.087 119.600 -0.217 0.000 2.073 310 M HA -0.242 4.239 4.480 0.001 0.000 0.258 310 M C 2.108 178.372 176.300 -0.060 0.000 1.070 310 M CA 1.591 56.825 55.300 -0.111 0.000 1.103 310 M CB -0.205 32.352 32.600 -0.071 0.000 1.321 310 M HN 0.215 nan 8.290 nan 0.000 0.405 311 L N 0.254 121.464 121.223 -0.020 0.000 1.951 311 L HA -0.306 4.034 4.340 0.001 0.000 0.222 311 L C 2.506 179.381 176.870 0.009 0.000 1.078 311 L CA 2.119 56.974 54.840 0.025 0.000 0.778 311 L CB -1.231 40.873 42.059 0.075 0.000 0.893 311 L HN 0.401 nan 8.230 nan 0.000 0.436 312 E N 0.325 120.527 120.200 0.004 0.000 2.181 312 E HA -0.329 4.022 4.350 0.001 0.000 0.225 312 E C 2.076 178.661 176.600 -0.024 0.000 1.073 312 E CA 2.433 58.830 56.400 -0.005 0.000 0.916 312 E CB -0.440 29.227 29.700 -0.054 0.000 0.793 312 E HN 0.273 nan 8.360 nan 0.000 0.472 313 M N -0.805 118.762 119.600 -0.055 0.000 2.103 313 M HA -0.237 4.244 4.480 0.001 0.000 0.255 313 M C 2.314 178.608 176.300 -0.010 0.000 1.074 313 M CA 1.643 56.917 55.300 -0.043 0.000 1.090 313 M CB -0.909 31.656 32.600 -0.059 0.000 1.325 313 M HN 0.199 nan 8.290 nan 0.000 0.403 314 L N -0.599 120.628 121.223 0.007 0.000 2.552 314 L HA -0.028 4.312 4.340 0.001 0.000 0.227 314 L C 2.263 179.151 176.870 0.030 0.000 1.146 314 L CA 0.855 55.714 54.840 0.033 0.000 0.858 314 L CB -0.867 41.226 42.059 0.057 0.000 0.969 314 L HN 0.230 nan 8.230 nan 0.000 0.451 315 K N 0.806 121.215 120.400 0.016 0.000 2.001 315 K HA -0.168 4.152 4.320 0.001 0.000 0.214 315 K C -0.382 176.219 176.600 0.001 0.000 1.050 315 K CA 1.867 58.159 56.287 0.008 0.000 0.934 315 K CB -0.901 31.602 32.500 0.004 0.000 0.718 315 K HN 0.240 nan 8.250 nan 0.000 0.443 316 P HA -0.185 nan 4.420 nan 0.000 0.217 316 P C 1.645 178.952 177.300 0.012 0.000 1.150 316 P CA 1.172 64.271 63.100 -0.001 0.000 0.832 316 P CB -0.194 31.506 31.700 -0.001 0.000 0.787 317 C N 0.223 119.538 119.300 0.025 0.000 2.388 317 C HA -0.150 4.310 4.460 0.001 0.000 0.277 317 C C 2.797 177.819 174.990 0.054 0.000 1.210 317 C CA 1.318 60.362 59.018 0.044 0.000 1.743 317 C CB -1.483 26.292 27.740 0.059 0.000 2.047 317 C HN 0.078 nan 8.230 nan 0.000 0.458 318 V N 1.237 121.185 119.914 0.055 0.000 2.250 318 V HA -0.327 3.793 4.120 0.001 0.000 0.253 318 V C 2.456 178.589 176.094 0.065 0.000 1.065 318 V CA 2.717 65.057 62.300 0.065 0.000 1.039 318 V CB -1.086 30.761 31.823 0.039 0.000 0.647 318 V HN 0.633 nan 8.190 nan 0.000 0.446 319 E N -0.392 119.819 120.200 0.018 0.000 2.147 319 E HA -0.333 4.018 4.350 0.001 0.000 0.199 319 E C 1.989 178.637 176.600 0.080 0.000 1.005 319 E CA 1.682 58.090 56.400 0.013 0.000 0.810 319 E CB -0.318 29.361 29.700 -0.035 0.000 0.736 319 E HN 0.713 nan 8.360 nan 0.000 0.460 320 D N -0.243 120.187 120.400 0.051 0.000 2.116 320 D HA -0.128 4.512 4.640 0.001 0.000 0.193 320 D C 1.756 178.079 176.300 0.039 0.000 0.998 320 D CA 1.579 55.600 54.000 0.035 0.000 0.836 320 D CB -0.258 40.556 40.800 0.022 0.000 0.951 320 D HN 0.204 nan 8.370 nan 0.000 0.449 321 G N -1.602 107.240 108.800 0.070 0.000 3.233 321 G HA2 -0.084 3.877 3.960 0.001 0.000 0.227 321 G HA3 -0.084 3.877 3.960 0.001 0.000 0.227 321 G C 0.883 175.841 174.900 0.097 0.000 1.175 321 G CA -0.329 44.803 45.100 0.054 0.000 0.781 321 G HN 0.253 nan 8.290 nan 0.000 0.542 322 F N 1.697 121.626 119.950 -0.034 0.000 2.408 322 F HA -0.048 4.479 4.527 0.001 0.000 0.300 322 F C 1.814 177.587 175.800 -0.046 0.000 1.090 322 F CA 0.587 58.570 58.000 -0.028 0.000 1.427 322 F CB 0.310 39.297 39.000 -0.022 0.000 1.070 322 F HN 0.016 nan 8.300 nan 0.000 0.549 323 V N 1.216 121.036 119.914 -0.157 0.000 3.478 323 V HA 0.127 4.248 4.120 0.001 0.000 0.323 323 V C 0.596 176.545 176.094 -0.241 0.000 1.241 323 V CA 0.254 62.392 62.300 -0.270 0.000 1.274 323 V CB -1.489 30.211 31.823 -0.204 0.000 1.115 323 V HN 0.131 nan 8.190 nan 0.000 0.424 324 I N -0.516 119.935 120.570 -0.198 0.000 3.195 324 I HA 0.451 4.621 4.170 0.001 0.000 0.313 324 I C 0.265 176.324 176.117 -0.097 0.000 1.237 324 I CA -0.365 60.861 61.300 -0.122 0.000 0.963 324 I CB 2.743 40.703 38.000 -0.067 0.000 1.278 324 I HN -0.026 nan 8.210 nan 0.000 0.460 325 Q N 0.673 120.443 119.800 -0.051 0.000 1.692 325 Q HA 0.092 4.433 4.340 0.001 0.000 0.181 325 Q C -1.490 174.511 176.000 0.002 0.000 0.663 325 Q CA 0.064 55.852 55.803 -0.025 0.000 0.747 325 Q CB 0.703 29.407 28.738 -0.057 0.000 1.202 325 Q HN 0.771 nan 8.270 nan 0.000 0.392 326 D N -1.557 118.845 120.400 0.002 0.000 2.350 326 D HA 0.282 4.922 4.640 0.001 0.000 0.238 326 D C 0.457 176.772 176.300 0.025 0.000 0.989 326 D CA -0.748 53.260 54.000 0.014 0.000 0.921 326 D CB 0.934 41.739 40.800 0.008 0.000 1.297 326 D HN 0.003 nan 8.370 nan 0.000 0.490 327 R N 0.150 120.667 120.500 0.029 0.000 2.200 327 R HA -0.173 4.168 4.340 0.001 0.000 0.234 327 R C 1.118 177.438 176.300 0.033 0.000 1.127 327 R CA 1.473 57.592 56.100 0.033 0.000 0.989 327 R CB 0.049 30.367 30.300 0.029 0.000 0.869 327 R HN 0.611 nan 8.270 nan 0.000 0.459 328 E N -0.758 119.459 120.200 0.030 0.000 2.001 328 E HA -0.119 4.231 4.350 0.001 0.000 0.193 328 E C 1.671 178.298 176.600 0.044 0.000 0.994 328 E CA 1.827 58.247 56.400 0.033 0.000 0.815 328 E CB -0.099 29.617 29.700 0.026 0.000 0.770 328 E HN 0.286 nan 8.360 nan 0.000 0.453 329 T N 0.909 115.486 114.554 0.039 0.000 3.077 329 T HA -0.054 4.296 4.350 0.001 0.000 0.269 329 T C 1.589 176.340 174.700 0.085 0.000 1.146 329 T CA 0.777 62.909 62.100 0.053 0.000 1.091 329 T CB -0.044 68.835 68.868 0.018 0.000 0.892 329 T HN 0.203 nan 8.240 nan 0.000 0.533 330 A N 0.836 123.698 122.820 0.070 0.000 1.903 330 A HA 0.206 4.527 4.320 0.001 0.000 0.213 330 A C 2.006 179.644 177.584 0.089 0.000 1.185 330 A CA 0.719 52.808 52.037 0.087 0.000 0.628 330 A CB -0.381 18.657 19.000 0.062 0.000 0.830 330 A HN 0.377 nan 8.150 nan 0.000 0.446 331 L N 0.054 121.314 121.223 0.062 0.000 2.179 331 L HA -0.042 4.299 4.340 0.001 0.000 0.208 331 L C 2.012 178.918 176.870 0.060 0.000 1.096 331 L CA 1.894 56.760 54.840 0.044 0.000 0.779 331 L CB -0.483 41.596 42.059 0.034 0.000 0.922 331 L HN 0.554 nan 8.230 nan 0.000 0.443 332 D N -0.279 120.171 120.400 0.083 0.000 2.084 332 D HA -0.297 4.344 4.640 0.001 0.000 0.194 332 D C 1.426 177.803 176.300 0.128 0.000 0.990 332 D CA 0.987 55.046 54.000 0.097 0.000 0.826 332 D CB -0.168 40.693 40.800 0.101 0.000 0.971 332 D HN 0.157 nan 8.370 nan 0.000 0.453 333 F N 0.744 120.702 119.950 0.013 0.000 2.730 333 F HA 0.272 4.799 4.527 0.001 0.000 0.333 333 F C -0.134 175.675 175.800 0.016 0.000 1.215 333 F CA 0.246 58.254 58.000 0.013 0.000 1.388 333 F CB -0.420 38.583 39.000 0.006 0.000 1.418 333 F HN 0.052 nan 8.300 nan 0.000 0.576 334 I N 0.961 121.463 120.570 -0.114 0.000 2.884 334 I HA 0.273 4.443 4.170 0.001 0.000 0.317 334 I C 0.389 176.466 176.117 -0.066 0.000 1.498 334 I CA -0.288 60.937 61.300 -0.124 0.000 0.796 334 I CB 0.167 38.138 38.000 -0.048 0.000 2.162 334 I HN 0.236 nan 8.210 nan 0.000 0.603 346 E N -0.218 120.003 120.200 0.035 0.000 4.807 346 E HA -0.426 3.925 4.350 0.001 0.000 0.171 346 E C 1.026 177.649 176.600 0.039 0.000 1.266 346 E CA 2.388 58.808 56.400 0.033 0.000 2.327 346 E CB -0.856 28.860 29.700 0.025 0.000 1.829 346 E HN 0.721 nan 8.360 nan 0.000 0.414 347 K N 1.392 121.812 120.400 0.033 0.000 2.002 347 K HA -0.155 4.166 4.320 0.001 0.000 0.209 347 K C 2.233 178.869 176.600 0.061 0.000 1.048 347 K CA 1.887 58.193 56.287 0.031 0.000 0.930 347 K CB -0.433 32.073 32.500 0.009 0.000 0.714 347 K HN 0.336 nan 8.250 nan 0.000 0.438 348 R N 1.487 122.028 120.500 0.068 0.000 2.073 348 R HA -0.038 4.302 4.340 0.001 0.000 0.234 348 R C 2.355 178.725 176.300 0.116 0.000 1.134 348 R CA 1.650 57.816 56.100 0.111 0.000 0.952 348 R CB -1.150 29.201 30.300 0.084 0.000 0.850 348 R HN 0.159 nan 8.270 nan 0.000 0.433 349 I N 1.219 121.838 120.570 0.080 0.000 2.479 349 I HA -0.303 3.867 4.170 0.001 0.000 0.258 349 I C 2.635 178.798 176.117 0.078 0.000 1.165 349 I CA 1.428 62.769 61.300 0.069 0.000 1.422 349 I CB -0.397 37.635 38.000 0.053 0.000 1.087 349 I HN 0.348 nan 8.210 nan 0.000 0.441 350 Q N 0.609 120.467 119.800 0.097 0.000 1.990 350 Q HA -0.219 4.122 4.340 0.001 0.000 0.195 350 Q C 2.196 178.296 176.000 0.167 0.000 0.977 350 Q CA 1.529 57.397 55.803 0.109 0.000 0.828 350 Q CB -0.854 27.943 28.738 0.098 0.000 0.896 350 Q HN 0.403 nan 8.270 nan 0.000 0.447 351 Y N 0.970 121.290 120.300 0.033 0.000 2.172 351 Y HA -0.342 4.208 4.550 0.001 0.000 0.280 351 Y C 2.019 177.942 175.900 0.038 0.000 1.209 351 Y CA 1.708 59.833 58.100 0.041 0.000 1.171 351 Y CB -1.052 37.436 38.460 0.047 0.000 0.965 351 Y HN 0.271 nan 8.280 nan 0.000 0.520 352 A N 0.050 122.912 122.820 0.070 0.000 1.859 352 A HA -0.288 4.032 4.320 0.001 0.000 0.217 352 A C 2.336 179.894 177.584 -0.043 0.000 1.198 352 A CA 2.372 54.389 52.037 -0.033 0.000 0.629 352 A CB -0.737 18.270 19.000 0.011 0.000 0.830 352 A HN 0.524 nan 8.150 nan 0.000 0.446 353 K N -0.317 120.088 120.400 0.010 0.000 2.034 353 K HA -0.219 4.102 4.320 0.001 0.000 0.214 353 K C 1.766 178.369 176.600 0.004 0.000 1.051 353 K CA 1.740 58.036 56.287 0.014 0.000 0.931 353 K CB -0.481 32.043 32.500 0.039 0.000 0.715 353 K HN 0.542 nan 8.250 nan 0.000 0.446 354 D N 1.015 121.424 120.400 0.016 0.000 2.108 354 D HA -0.190 4.450 4.640 0.001 0.000 0.190 354 D C 1.998 178.256 176.300 -0.070 0.000 0.995 354 D CA 1.523 55.529 54.000 0.010 0.000 0.834 354 D CB -0.371 40.486 40.800 0.095 0.000 0.967 354 D HN 0.203 nan 8.370 nan 0.000 0.446 355 I N 0.900 121.346 120.570 -0.207 0.000 2.381 355 I HA -0.264 3.906 4.170 0.001 0.000 0.255 355 I C 2.490 178.564 176.117 -0.071 0.000 1.140 355 I CA 0.723 61.879 61.300 -0.239 0.000 1.404 355 I CB -0.273 37.510 38.000 -0.362 0.000 1.075 355 I HN 0.031 nan 8.210 nan 0.000 0.433 356 L N -0.324 120.876 121.223 -0.038 0.000 2.127 356 L HA -0.117 4.223 4.340 0.001 0.000 0.203 356 L C 2.477 179.398 176.870 0.086 0.000 1.080 356 L CA 1.146 56.000 54.840 0.023 0.000 0.768 356 L CB -0.343 41.687 42.059 -0.047 0.000 0.924 356 L HN 0.232 nan 8.230 nan 0.000 0.444 357 Q N -0.493 119.338 119.800 0.051 0.000 2.389 357 Q HA -0.072 4.269 4.340 0.001 0.000 0.204 357 Q C 1.461 177.493 176.000 0.052 0.000 0.944 357 Q CA 0.766 56.609 55.803 0.066 0.000 0.908 357 Q CB 0.443 29.217 28.738 0.061 0.000 1.002 357 Q HN 0.351 nan 8.270 nan 0.000 0.493 358 K N -0.881 119.541 120.400 0.036 0.000 2.402 358 K HA 0.089 4.410 4.320 0.001 0.000 0.203 358 K C 0.911 177.536 176.600 0.042 0.000 1.077 358 K CA 0.143 56.450 56.287 0.032 0.000 1.051 358 K CB 0.942 33.456 32.500 0.024 0.000 0.907 358 K HN -0.015 nan 8.250 nan 0.000 0.554 359 E N -0.177 120.032 120.200 0.014 0.000 2.354 359 E HA 0.067 4.418 4.350 0.001 0.000 0.203 359 E C -0.156 176.464 176.600 0.033 0.000 0.841 359 E CA -0.072 56.312 56.400 -0.027 0.000 1.046 359 E CB 0.213 29.811 29.700 -0.171 0.000 1.040 359 E HN 0.028 nan 8.360 nan 0.000 0.504 360 F N 2.875 122.804 119.950 -0.034 0.000 2.506 360 F HA 0.127 4.655 4.527 0.001 0.000 0.371 360 F C 0.721 176.543 175.800 0.038 0.000 1.078 360 F CA -0.488 57.514 58.000 0.004 0.000 1.195 360 F CB 0.376 39.377 39.000 0.002 0.000 1.099 360 F HN -0.095 nan 8.300 nan 0.000 0.548 361 L N 8.247 129.086 121.223 -0.641 0.000 3.742 361 L HA -0.236 4.104 4.340 0.001 0.000 0.431 361 L C -1.375 175.454 176.870 -0.068 0.000 1.220 361 L CA 0.385 55.024 54.840 -0.336 0.000 0.863 361 L CB -1.270 40.504 42.059 -0.475 0.000 1.751 361 L HN 0.612 nan 8.230 nan 0.000 0.922 362 P HA -0.234 nan 4.420 nan 0.000 0.219 362 P C 0.981 178.289 177.300 0.013 0.000 1.145 362 P CA 2.100 65.214 63.100 0.024 0.000 0.813 362 P CB -0.397 31.344 31.700 0.068 0.000 0.771 363 H N -1.096 117.910 119.070 -0.108 0.000 2.136 363 H HA 0.175 4.731 4.556 0.001 0.000 0.311 363 H C 1.711 176.937 175.328 -0.170 0.000 1.737 363 H CA -0.205 55.773 56.048 -0.116 0.000 1.439 363 H CB -0.321 29.370 29.762 -0.118 0.000 1.733 363 H HN -0.069 nan 8.280 nan 0.000 0.637 364 I N -1.665 118.505 120.570 -0.667 0.000 4.608 364 I HA -0.406 3.764 4.170 0.001 0.000 0.051 364 I C 0.037 175.892 176.117 -0.438 0.000 0.619 364 I CA 2.318 63.224 61.300 -0.657 0.000 0.844 364 I CB -1.200 36.284 38.000 -0.860 0.000 0.772 364 I HN 0.874 nan 8.210 nan 0.000 0.161 365 T N -0.895 113.426 114.554 -0.389 0.000 3.385 365 T HA 0.194 4.545 4.350 0.001 0.000 0.417 365 T C -0.627 173.931 174.700 -0.237 0.000 1.688 365 T CA -0.244 61.619 62.100 -0.395 0.000 1.107 365 T CB 1.132 69.490 68.868 -0.850 0.000 1.591 365 T HN 0.380 nan 8.240 nan 0.000 0.468 366 Q N 2.597 122.305 119.800 -0.153 0.000 2.217 366 Q HA 0.351 4.691 4.340 0.001 0.000 0.217 366 Q C 1.757 177.742 176.000 -0.024 0.000 0.844 366 Q CA -0.137 55.634 55.803 -0.054 0.000 0.957 366 Q CB 0.524 29.245 28.738 -0.028 0.000 1.127 366 Q HN 0.589 nan 8.270 nan 0.000 0.503 367 L N 0.627 121.812 121.223 -0.064 0.000 1.924 367 L HA -0.220 4.121 4.340 0.001 0.000 0.234 367 L C 1.758 178.712 176.870 0.139 0.000 1.090 367 L CA 2.026 56.892 54.840 0.043 0.000 0.816 367 L CB -0.396 41.709 42.059 0.077 0.000 0.901 367 L HN 0.309 nan 8.230 nan 0.000 0.433 368 E N -2.353 118.032 120.200 0.307 0.000 3.016 368 E HA 0.044 4.394 4.350 0.001 0.000 0.275 368 E C 1.060 177.863 176.600 0.339 0.000 1.124 368 E CA 0.385 56.943 56.400 0.262 0.000 1.928 368 E CB -0.565 29.230 29.700 0.157 0.000 2.292 368 E HN 0.270 nan 8.360 nan 0.000 1.055 369 G N 0.936 109.833 108.800 0.162 0.000 3.106 369 G HA2 0.047 4.008 3.960 0.001 0.000 0.230 369 G HA3 0.047 4.008 3.960 0.001 0.000 0.230 369 G C -0.306 174.395 174.900 -0.331 0.000 0.949 369 G CA 0.509 45.551 45.100 -0.096 0.000 1.827 369 G HN 0.140 nan 8.290 nan 0.000 0.573 370 F N -1.048 118.916 119.950 0.024 0.000 2.815 370 F HA 0.292 4.819 4.527 0.001 0.000 0.335 370 F C 1.305 177.136 175.800 0.051 0.000 1.179 370 F CA -0.786 57.230 58.000 0.026 0.000 1.204 370 F CB 0.650 39.657 39.000 0.012 0.000 1.050 370 F HN 0.063 nan 8.300 nan 0.000 0.510 371 E N 0.608 120.917 120.200 0.182 0.000 2.187 371 E HA -0.220 4.130 4.350 0.001 0.000 0.199 371 E C 2.275 178.972 176.600 0.161 0.000 1.004 371 E CA 1.964 58.448 56.400 0.140 0.000 0.813 371 E CB -0.368 29.381 29.700 0.083 0.000 0.736 371 E HN 0.412 nan 8.360 nan 0.000 0.468 372 S N -0.003 115.795 115.700 0.164 0.000 2.387 372 S HA -0.056 4.415 4.470 0.001 0.000 0.226 372 S C 1.852 176.633 174.600 0.301 0.000 1.026 372 S CA 0.523 58.857 58.200 0.223 0.000 0.972 372 S CB -0.136 63.165 63.200 0.167 0.000 0.814 372 S HN 0.176 nan 8.310 nan 0.000 0.477 373 R N 1.474 122.114 120.500 0.234 0.000 2.115 373 R HA 0.145 4.485 4.340 0.001 0.000 0.230 373 R C 2.184 178.672 176.300 0.313 0.000 1.111 373 R CA 1.116 57.343 56.100 0.212 0.000 0.976 373 R CB -0.218 30.190 30.300 0.179 0.000 0.870 373 R HN 0.417 nan 8.270 nan 0.000 0.445 374 K N 0.159 120.749 120.400 0.317 0.000 2.365 374 K HA 0.110 4.431 4.320 0.001 0.000 0.197 374 K C 1.920 178.834 176.600 0.523 0.000 1.042 374 K CA 0.592 57.133 56.287 0.424 0.000 0.987 374 K CB 0.295 33.047 32.500 0.420 0.000 0.779 374 K HN 0.106 nan 8.250 nan 0.000 0.484 375 A N 0.661 123.729 122.820 0.413 0.000 1.872 375 A HA -0.084 4.236 4.320 0.001 0.000 0.214 375 A C 1.729 179.600 177.584 0.478 0.000 1.187 375 A CA 1.058 53.321 52.037 0.376 0.000 0.614 375 A CB -0.547 18.482 19.000 0.048 0.000 0.826 375 A HN 0.168 nan 8.150 nan 0.000 0.442 376 F N -1.758 118.428 119.950 0.392 0.000 2.293 376 F HA -0.028 4.500 4.527 0.001 0.000 0.300 376 F C 1.899 178.230 175.800 0.886 0.000 1.086 376 F CA 0.933 59.266 58.000 0.555 0.000 1.375 376 F CB -0.380 38.716 39.000 0.159 0.000 1.045 376 F HN 0.298 nan 8.300 nan 0.000 0.516 377 F N -0.234 120.189 119.950 0.787 0.000 2.098 377 F HA -0.134 4.394 4.527 0.001 0.000 0.294 377 F C 2.294 178.439 175.800 0.575 0.000 1.107 377 F CA 0.931 59.354 58.000 0.704 0.000 1.234 377 F CB -0.762 38.550 39.000 0.519 0.000 1.002 377 F HN -0.107 nan 8.300 nan 0.000 0.472 378 L N 0.514 122.140 121.223 0.672 0.000 2.081 378 L HA -0.116 4.224 4.340 0.001 0.000 0.212 378 L C 2.202 179.265 176.870 0.322 0.000 1.080 378 L CA 2.340 57.431 54.840 0.418 0.000 0.754 378 L CB -1.674 40.549 42.059 0.275 0.000 0.893 378 L HN 0.203 nan 8.230 nan 0.000 0.433 379 G N -1.994 107.161 108.800 0.592 0.000 2.394 379 G HA2 -0.344 3.617 3.960 0.001 0.000 0.214 379 G HA3 -0.344 3.617 3.960 0.001 0.000 0.214 379 G C 1.550 176.693 174.900 0.406 0.000 1.176 379 G CA 0.638 46.108 45.100 0.616 0.000 0.786 379 G HN 0.530 nan 8.290 nan 0.000 0.533 380 Y N 0.898 121.421 120.300 0.371 0.000 2.365 380 Y HA -0.081 4.470 4.550 0.001 0.000 0.287 380 Y C 2.608 178.455 175.900 -0.088 0.000 1.162 380 Y CA 1.437 59.623 58.100 0.143 0.000 1.260 380 Y CB -0.060 38.400 38.460 0.000 0.000 0.976 380 Y HN 0.161 nan 8.280 nan 0.000 0.548 381 M N -1.047 118.475 119.600 -0.130 0.000 2.171 381 M HA -0.084 4.397 4.480 0.001 0.000 0.260 381 M C 2.062 178.254 176.300 -0.181 0.000 1.087 381 M CA 1.395 56.547 55.300 -0.247 0.000 1.154 381 M CB -0.264 32.268 32.600 -0.114 0.000 1.331 381 M HN 0.155 nan 8.290 nan 0.000 0.431 382 I N 0.716 121.256 120.570 -0.049 0.000 2.381 382 I HA -0.342 3.829 4.170 0.001 0.000 0.255 382 I C 1.995 178.067 176.117 -0.074 0.000 1.140 382 I CA 1.257 62.543 61.300 -0.024 0.000 1.404 382 I CB -0.887 37.155 38.000 0.069 0.000 1.075 382 I HN 0.437 nan 8.210 nan 0.000 0.433 383 N N 1.209 119.829 118.700 -0.133 0.000 2.048 383 N HA -0.170 4.571 4.740 0.001 0.000 0.193 383 N C 2.010 177.363 175.510 -0.260 0.000 1.061 383 N CA 1.289 54.209 53.050 -0.216 0.000 0.849 383 N CB -0.017 38.268 38.487 -0.337 0.000 1.044 383 N HN -0.021 nan 8.380 nan 0.000 0.429 384 R N 0.427 120.684 120.500 -0.404 0.000 2.190 384 R HA -0.221 4.119 4.340 0.001 0.000 0.255 384 R C 2.255 178.416 176.300 -0.233 0.000 1.143 384 R CA 1.348 57.221 56.100 -0.380 0.000 0.965 384 R CB -1.639 28.360 30.300 -0.502 0.000 0.889 384 R HN 0.442 nan 8.270 nan 0.000 0.448 385 L N 0.845 121.954 121.223 -0.190 0.000 1.956 385 L HA -0.192 4.148 4.340 0.001 0.000 0.216 385 L C 2.442 179.281 176.870 -0.051 0.000 1.073 385 L CA 1.681 56.459 54.840 -0.104 0.000 0.762 385 L CB -0.386 41.628 42.059 -0.075 0.000 0.889 385 L HN 0.111 nan 8.230 nan 0.000 0.433 386 L N -1.351 119.833 121.223 -0.065 0.000 2.093 386 L HA -0.223 4.118 4.340 0.001 0.000 0.208 386 L C 2.531 179.365 176.870 -0.060 0.000 1.085 386 L CA 0.610 55.421 54.840 -0.049 0.000 0.755 386 L CB -0.702 41.319 42.059 -0.062 0.000 0.904 386 L HN 0.295 nan 8.230 nan 0.000 0.435 387 L N -0.269 120.894 121.223 -0.100 0.000 2.283 387 L HA -0.300 4.040 4.340 0.001 0.000 0.217 387 L C 2.544 179.371 176.870 -0.072 0.000 1.104 387 L CA 1.700 56.479 54.840 -0.101 0.000 0.772 387 L CB -0.677 41.294 42.059 -0.147 0.000 0.899 387 L HN 0.506 nan 8.230 nan 0.000 0.439 388 C N -2.129 117.136 119.300 -0.058 0.000 2.519 388 C HA 0.280 4.741 4.460 0.001 0.000 0.297 388 C C 2.932 177.948 174.990 0.044 0.000 1.414 388 C CA 0.204 59.198 59.018 -0.039 0.000 1.893 388 C CB -0.891 26.796 27.740 -0.090 0.000 2.134 388 C HN 0.513 nan 8.230 nan 0.000 0.580 389 A N 0.793 123.710 122.820 0.163 0.000 2.171 389 A HA -0.101 4.219 4.320 0.001 0.000 0.223 389 A C 1.393 179.021 177.584 0.074 0.000 1.166 389 A CA 1.791 53.973 52.037 0.243 0.000 0.668 389 A CB -0.853 18.194 19.000 0.079 0.000 0.807 389 A HN 0.762 nan 8.150 nan 0.000 0.475 390 L N -0.512 120.722 121.223 0.018 0.000 3.141 390 L HA 0.194 4.534 4.340 0.001 0.000 0.263 390 L C -0.808 176.053 176.870 -0.016 0.000 1.312 390 L CA -0.529 54.295 54.840 -0.025 0.000 1.012 390 L CB -0.308 41.711 42.059 -0.068 0.000 1.408 390 L HN 0.172 nan 8.230 nan 0.000 0.559 391 D N 1.144 121.550 120.400 0.009 0.000 2.859 391 D HA -0.227 4.413 4.640 0.001 0.000 0.215 391 D C 1.168 177.461 176.300 -0.013 0.000 1.253 391 D CA 0.726 54.726 54.000 -0.000 0.000 0.673 391 D CB -0.224 40.578 40.800 0.003 0.000 0.941 391 D HN 0.446 nan 8.370 nan 0.000 0.394 392 R N -0.124 120.363 120.500 -0.021 0.000 2.276 392 R HA 0.169 4.509 4.340 0.001 0.000 0.195 392 R C 0.377 176.662 176.300 -0.026 0.000 0.908 392 R CA 0.067 56.153 56.100 -0.023 0.000 1.083 392 R CB 0.629 30.911 30.300 -0.031 0.000 1.182 392 R HN -0.072 nan 8.270 nan 0.000 0.608 393 K N 1.701 122.078 120.400 -0.038 0.000 2.443 393 K HA 0.220 4.541 4.320 0.001 0.000 0.252 393 K C -1.163 175.409 176.600 -0.046 0.000 0.933 393 K CA -0.512 55.749 56.287 -0.042 0.000 0.792 393 K CB 2.084 34.547 32.500 -0.060 0.000 1.185 393 K HN 0.009 nan 8.250 nan 0.000 0.425 394 D N 1.712 122.094 120.400 -0.031 0.000 2.383 394 D HA -0.145 4.496 4.640 0.001 0.000 0.233 394 D C 0.534 176.811 176.300 -0.038 0.000 1.233 394 D CA 0.725 54.709 54.000 -0.026 0.000 0.881 394 D CB 0.761 41.559 40.800 -0.003 0.000 1.212 394 D HN 0.342 nan 8.370 nan 0.000 0.467 395 Q N 0.874 120.655 119.800 -0.032 0.000 2.352 395 Q HA -0.020 4.321 4.340 0.001 0.000 0.260 395 Q C -0.518 175.513 176.000 0.053 0.000 0.976 395 Q CA -0.489 55.306 55.803 -0.013 0.000 0.881 395 Q CB 0.750 29.482 28.738 -0.011 0.000 1.235 395 Q HN 0.246 nan 8.270 nan 0.000 0.419 396 D N 3.117 123.575 120.400 0.098 0.000 2.487 396 D HA -0.076 4.564 4.640 0.001 0.000 0.243 396 D C -0.617 175.800 176.300 0.195 0.000 1.154 396 D CA 0.530 54.607 54.000 0.129 0.000 0.876 396 D CB 0.545 41.401 40.800 0.093 0.000 1.161 396 D HN 0.523 nan 8.370 nan 0.000 0.478 397 D N 2.842 123.319 120.400 0.128 0.000 2.383 397 D HA -0.016 4.625 4.640 0.001 0.000 0.252 397 D C 1.010 177.372 176.300 0.103 0.000 1.166 397 D CA -0.115 53.953 54.000 0.112 0.000 0.879 397 D CB 0.699 41.587 40.800 0.147 0.000 1.164 397 D HN 0.308 nan 8.370 nan 0.000 0.462 398 R N 2.199 122.723 120.500 0.041 0.000 2.276 398 R HA -0.016 4.324 4.340 0.001 0.000 0.203 398 R C -0.062 176.237 176.300 -0.002 0.000 1.017 398 R CA 0.610 56.719 56.100 0.015 0.000 1.010 398 R CB 0.451 30.698 30.300 -0.089 0.000 0.900 398 R HN 0.474 nan 8.270 nan 0.000 0.469 399 D N -0.207 120.164 120.400 -0.048 0.000 2.892 399 D HA -0.004 4.637 4.640 0.001 0.000 0.291 399 D C -0.065 175.933 176.300 -0.504 0.000 1.341 399 D CA -0.034 53.860 54.000 -0.177 0.000 0.844 399 D CB 0.207 40.951 40.800 -0.093 0.000 1.093 399 D HN 0.121 nan 8.370 nan 0.000 0.480 400 H N 0.994 119.874 119.070 -0.317 0.000 2.794 400 H HA -0.005 4.551 4.556 0.001 0.000 0.256 400 H C 1.191 176.450 175.328 -0.115 0.000 1.637 400 H CA -0.477 55.405 56.048 -0.275 0.000 1.222 400 H CB -0.728 28.975 29.762 -0.098 0.000 1.545 400 H HN 0.041 nan 8.280 nan 0.000 0.518 401 F N 1.434 121.208 119.950 -0.293 0.000 2.113 401 F HA -0.447 4.081 4.527 0.001 0.000 0.228 401 F C 2.352 178.150 175.800 -0.004 0.000 1.144 401 F CA 2.710 60.605 58.000 -0.175 0.000 1.767 401 F CB -1.201 37.657 39.000 -0.236 0.000 0.707 401 F HN 0.461 nan 8.300 nan 0.000 0.397 402 G N -0.555 108.314 108.800 0.114 0.000 2.621 402 G HA2 -0.260 3.700 3.960 0.001 0.000 0.215 402 G HA3 -0.260 3.700 3.960 0.001 0.000 0.215 402 G C 1.347 176.230 174.900 -0.028 0.000 1.127 402 G CA 1.053 46.171 45.100 0.030 0.000 0.747 402 G HN 0.533 nan 8.290 nan 0.000 0.561 403 K N -0.301 120.080 120.400 -0.032 0.000 2.373 403 K HA 0.152 4.473 4.320 0.001 0.000 0.202 403 K C 0.054 176.586 176.600 -0.114 0.000 1.025 403 K CA 0.075 56.323 56.287 -0.064 0.000 1.115 403 K CB 0.573 33.056 32.500 -0.030 0.000 0.858 403 K HN 0.163 nan 8.250 nan 0.000 0.525 404 K N 1.603 121.887 120.400 -0.194 0.000 2.376 404 K HA 0.348 4.668 4.320 0.001 0.000 0.257 404 K C -0.504 175.918 176.600 -0.296 0.000 0.939 404 K CA -0.894 55.267 56.287 -0.211 0.000 0.809 404 K CB 1.926 34.314 32.500 -0.186 0.000 1.121 404 K HN -0.195 nan 8.250 nan 0.000 0.425 405 R N 2.490 122.868 120.500 -0.203 0.000 2.407 405 R HA 0.402 4.742 4.340 0.001 0.000 0.303 405 R C -0.173 176.039 176.300 -0.146 0.000 0.981 405 R CA -0.722 55.267 56.100 -0.184 0.000 0.905 405 R CB 0.779 30.996 30.300 -0.138 0.000 1.099 405 R HN 0.563 nan 8.270 nan 0.000 0.459 406 L N 3.622 124.763 121.223 -0.137 0.000 2.314 406 L HA 0.223 4.564 4.340 0.001 0.000 0.275 406 L C 0.102 176.929 176.870 -0.071 0.000 1.068 406 L CA -0.617 54.168 54.840 -0.092 0.000 0.894 406 L CB 0.612 42.626 42.059 -0.075 0.000 1.275 406 L HN 0.285 nan 8.230 nan 0.000 0.432 407 D N 2.291 122.652 120.400 -0.065 0.000 2.472 407 D HA 0.171 4.811 4.640 0.001 0.000 0.237 407 D C -0.158 176.107 176.300 -0.059 0.000 1.141 407 D CA 0.415 54.386 54.000 -0.049 0.000 0.875 407 D CB 1.997 42.768 40.800 -0.047 0.000 1.192 407 D HN 0.103 nan 8.370 nan 0.000 0.450 408 L N 0.869 122.072 121.223 -0.034 0.000 2.256 408 L HA 0.444 4.785 4.340 0.001 0.000 0.261 408 L C 1.361 178.216 176.870 -0.026 0.000 1.022 408 L CA -0.495 54.322 54.840 -0.038 0.000 0.828 408 L CB 1.134 43.186 42.059 -0.012 0.000 1.374 408 L HN 0.428 nan 8.230 nan 0.000 0.436 409 A N 1.011 123.815 122.820 -0.026 0.000 1.944 409 A HA -0.254 4.066 4.320 0.001 0.000 0.222 409 A C 1.828 179.450 177.584 0.062 0.000 1.237 409 A CA 2.693 54.729 52.037 -0.002 0.000 0.668 409 A CB -1.746 17.293 19.000 0.066 0.000 0.830 409 A HN 0.987 nan 8.150 nan 0.000 0.471 410 G N -0.366 108.505 108.800 0.118 0.000 2.604 410 G HA2 -0.160 3.801 3.960 0.001 0.000 0.216 410 G HA3 -0.160 3.801 3.960 0.001 0.000 0.216 410 G C -0.176 174.722 174.900 -0.002 0.000 1.265 410 G CA 1.296 46.460 45.100 0.107 0.000 0.804 410 G HN 0.483 nan 8.290 nan 0.000 0.579 411 P HA -0.125 nan 4.420 nan 0.000 0.218 411 P C 2.016 179.380 177.300 0.106 0.000 1.150 411 P CA 0.957 64.120 63.100 0.105 0.000 0.841 411 P CB -0.144 31.603 31.700 0.077 0.000 0.784 412 L N -1.837 119.447 121.223 0.102 0.000 2.027 412 L HA -0.155 4.185 4.340 0.001 0.000 0.206 412 L C 2.430 179.493 176.870 0.322 0.000 1.074 412 L CA 1.362 56.387 54.840 0.309 0.000 0.745 412 L CB -1.103 41.087 42.059 0.220 0.000 0.898 412 L HN -0.024 nan 8.230 nan 0.000 0.433 413 L N -0.214 121.009 121.223 0.000 0.000 2.131 413 L HA -0.176 4.165 4.340 0.001 0.000 0.210 413 L C 2.926 179.658 176.870 -0.229 0.000 1.092 413 L CA 0.990 55.648 54.840 -0.302 0.000 0.759 413 L CB -0.945 40.586 42.059 -0.880 0.000 0.903 413 L HN 0.243 nan 8.230 nan 0.000 0.435 414 A N -0.199 122.550 122.820 -0.119 0.000 1.883 414 A HA -0.284 4.037 4.320 0.001 0.000 0.217 414 A C 2.330 180.087 177.584 0.289 0.000 1.186 414 A CA 1.893 54.156 52.037 0.378 0.000 0.624 414 A CB -0.617 18.614 19.000 0.385 0.000 0.822 414 A HN 0.471 nan 8.150 nan 0.000 0.444 415 Q N -0.463 119.458 119.800 0.202 0.000 2.030 415 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 415 Q C 2.132 178.191 176.000 0.097 0.000 0.986 415 Q CA 1.727 57.630 55.803 0.166 0.000 0.843 415 Q CB -0.246 28.619 28.738 0.212 0.000 0.904 415 Q HN 0.699 nan 8.270 nan 0.000 0.420 416 L N -0.283 120.945 121.223 0.009 0.000 1.970 416 L HA -0.211 4.130 4.340 0.001 0.000 0.212 416 L C 2.456 179.368 176.870 0.070 0.000 1.071 416 L CA 1.348 56.123 54.840 -0.108 0.000 0.751 416 L CB -0.673 41.182 42.059 -0.339 0.000 0.889 416 L HN 0.275 nan 8.230 nan 0.000 0.432 417 F N 0.969 120.921 119.950 0.003 0.000 2.154 417 F HA -0.284 4.243 4.527 0.001 0.000 0.301 417 F C 2.585 178.449 175.800 0.107 0.000 1.087 417 F CA 1.863 59.907 58.000 0.074 0.000 1.274 417 F CB -0.281 38.842 39.000 0.206 0.000 1.009 417 F HN -0.055 nan 8.300 nan 0.000 0.485 418 K N -0.959 119.523 120.400 0.137 0.000 2.062 418 K HA -0.115 4.205 4.320 0.001 0.000 0.205 418 K C 1.941 178.540 176.600 -0.001 0.000 1.051 418 K CA 1.735 58.050 56.287 0.047 0.000 0.941 418 K CB -0.293 32.273 32.500 0.110 0.000 0.719 418 K HN 0.175 nan 8.250 nan 0.000 0.440 419 T N 1.271 115.830 114.554 0.009 0.000 2.951 419 T HA -0.004 4.346 4.350 0.001 0.000 0.268 419 T C 1.607 176.283 174.700 -0.041 0.000 1.073 419 T CA 0.764 62.854 62.100 -0.017 0.000 1.134 419 T CB 0.069 68.928 68.868 -0.015 0.000 0.884 419 T HN 0.134 nan 8.240 nan 0.000 0.479 420 L N -0.547 120.653 121.223 -0.038 0.000 2.145 420 L HA 0.145 4.486 4.340 0.001 0.000 0.201 420 L C 2.197 179.040 176.870 -0.045 0.000 1.075 420 L CA 0.677 55.494 54.840 -0.039 0.000 0.773 420 L CB -0.449 41.609 42.059 -0.002 0.000 0.936 420 L HN 0.160 nan 8.230 nan 0.000 0.451 421 F N 1.705 121.438 119.950 -0.362 0.000 2.154 421 F HA -0.252 4.276 4.527 0.001 0.000 0.301 421 F C 2.324 177.946 175.800 -0.296 0.000 1.087 421 F CA 1.603 59.328 58.000 -0.459 0.000 1.274 421 F CB -0.291 38.248 39.000 -0.767 0.000 1.009 421 F HN -0.069 nan 8.300 nan 0.000 0.485 422 K N -0.102 120.152 120.400 -0.243 0.000 2.155 422 K HA -0.176 4.145 4.320 0.001 0.000 0.203 422 K C 2.153 178.628 176.600 -0.210 0.000 1.052 422 K CA 1.306 57.416 56.287 -0.294 0.000 0.948 422 K CB -0.218 32.168 32.500 -0.191 0.000 0.728 422 K HN 0.204 nan 8.250 nan 0.000 0.448 423 K N 1.063 121.384 120.400 -0.132 0.000 2.148 423 K HA -0.114 4.207 4.320 0.001 0.000 0.204 423 K C 2.041 178.592 176.600 -0.081 0.000 1.050 423 K CA 0.665 56.898 56.287 -0.089 0.000 0.942 423 K CB 0.070 32.534 32.500 -0.060 0.000 0.724 423 K HN 0.011 nan 8.250 nan 0.000 0.446 424 L N 0.842 122.011 121.223 -0.089 0.000 2.095 424 L HA -0.045 4.296 4.340 0.001 0.000 0.204 424 L C 1.900 178.715 176.870 -0.092 0.000 1.080 424 L CA 1.805 56.611 54.840 -0.056 0.000 0.759 424 L CB -0.740 41.320 42.059 0.002 0.000 0.914 424 L HN 0.062 nan 8.230 nan 0.000 0.439 425 T N 0.917 115.333 114.554 -0.230 0.000 2.652 425 T HA -0.204 4.147 4.350 0.001 0.000 0.267 425 T C 0.907 175.527 174.700 -0.133 0.000 1.039 425 T CA 1.846 63.799 62.100 -0.244 0.000 1.153 425 T CB -0.376 68.217 68.868 -0.460 0.000 0.863 425 T HN 0.506 nan 8.240 nan 0.000 0.428 426 K N 1.474 121.779 120.400 -0.158 0.000 2.480 426 K HA 0.231 4.551 4.320 0.001 0.000 0.241 426 K C -0.234 176.370 176.600 0.006 0.000 1.261 426 K CA 0.108 56.336 56.287 -0.098 0.000 1.193 426 K CB 0.430 32.849 32.500 -0.134 0.000 1.598 426 K HN 0.154 nan 8.250 nan 0.000 0.278 427 D N 0.495 120.933 120.400 0.064 0.000 1.664 427 D HA 0.038 4.679 4.640 0.001 0.000 0.621 427 D C 1.414 177.790 176.300 0.126 0.000 0.872 427 D CA 0.000 54.047 54.000 0.078 0.000 1.120 427 D CB -0.020 40.797 40.800 0.029 0.000 1.606 427 D HN 0.293 nan 8.370 nan 0.000 0.511 428 I N 1.258 121.903 120.570 0.126 0.000 2.208 428 I HA -0.250 3.921 4.170 0.001 0.000 0.245 428 I C 2.315 178.604 176.117 0.287 0.000 1.097 428 I CA 1.085 62.490 61.300 0.175 0.000 1.363 428 I CB -0.219 37.901 38.000 0.199 0.000 1.051 428 I HN -0.003 nan 8.210 nan 0.000 0.413 429 F N 1.673 121.658 119.950 0.059 0.000 2.134 429 F HA -0.149 4.379 4.527 0.001 0.000 0.299 429 F C 2.305 178.149 175.800 0.073 0.000 1.097 429 F CA 1.431 59.462 58.000 0.052 0.000 1.264 429 F CB -0.465 38.547 39.000 0.020 0.000 1.001 429 F HN -0.054 nan 8.300 nan 0.000 0.479 430 R N -1.580 119.069 120.500 0.247 0.000 2.362 430 R HA -0.159 4.182 4.340 0.001 0.000 0.204 430 R C 0.714 177.128 176.300 0.190 0.000 1.088 430 R CA 0.444 56.639 56.100 0.159 0.000 1.121 430 R CB -0.503 29.877 30.300 0.134 0.000 0.954 430 R HN 0.375 nan 8.270 nan 0.000 0.478 431 Y N -1.099 119.214 120.300 0.023 0.000 2.572 431 Y HA 0.218 4.768 4.550 0.001 0.000 0.274 431 Y C 1.502 177.383 175.900 -0.031 0.000 1.135 431 Y CA 0.073 58.177 58.100 0.007 0.000 1.230 431 Y CB 0.620 39.099 38.460 0.031 0.000 1.293 431 Y HN -0.134 nan 8.280 nan 0.000 0.501 432 M N 0.157 119.784 119.600 0.044 0.000 2.561 432 M HA 0.103 4.583 4.480 0.001 0.000 0.238 432 M C 0.205 176.380 176.300 -0.209 0.000 1.131 432 M CA 0.930 56.166 55.300 -0.106 0.000 1.046 432 M CB 0.327 32.858 32.600 -0.114 0.000 1.532 432 M HN 0.186 nan 8.290 nan 0.000 0.497 433 Q N -0.126 119.576 119.800 -0.163 0.000 2.141 433 Q HA 0.258 4.599 4.340 0.001 0.000 0.248 433 Q C 0.571 176.512 176.000 -0.098 0.000 0.834 433 Q CA -0.042 55.665 55.803 -0.160 0.000 1.096 433 Q CB 0.828 29.479 28.738 -0.146 0.000 1.189 433 Q HN 0.397 nan 8.270 nan 0.000 0.471 434 R N -1.689 118.741 120.500 -0.116 0.000 2.540 434 R HA 0.091 4.431 4.340 0.001 0.000 0.273 434 R C -0.112 176.099 176.300 -0.148 0.000 0.937 434 R CA 0.035 56.072 56.100 -0.105 0.000 1.127 434 R CB 0.958 31.215 30.300 -0.073 0.000 1.745 434 R HN -0.103 nan 8.270 nan 0.000 0.485 435 T N 2.224 116.659 114.554 -0.198 0.000 3.162 435 T HA 0.055 4.405 4.350 0.001 0.000 0.264 435 T C 0.754 175.375 174.700 -0.132 0.000 0.959 435 T CA 0.258 62.235 62.100 -0.204 0.000 1.118 435 T CB 0.461 69.192 68.868 -0.229 0.000 0.979 435 T HN -0.072 nan 8.240 nan 0.000 0.679 436 V N 3.156 123.006 119.914 -0.106 0.000 3.387 436 V HA 0.118 4.238 4.120 0.001 0.000 0.353 436 V C 0.823 176.876 176.094 -0.068 0.000 1.193 436 V CA 0.277 62.531 62.300 -0.077 0.000 1.379 436 V CB -1.355 30.431 31.823 -0.060 0.000 1.157 436 V HN 0.713 nan 8.190 nan 0.000 0.431 447 A N 1.647 124.106 122.820 -0.600 0.000 2.624 447 A HA -0.304 4.016 4.320 0.001 0.000 0.235 447 A C 0.706 178.117 177.584 -0.289 0.000 0.588 447 A CA 1.681 53.288 52.037 -0.717 0.000 1.172 447 A CB -2.120 15.935 19.000 -1.575 0.000 1.370 447 A HN 0.793 nan 8.150 nan 0.000 0.695 448 I N 1.829 122.287 120.570 -0.187 0.000 2.992 448 I HA -0.056 4.115 4.170 0.001 0.000 0.309 448 I C 0.710 176.818 176.117 -0.016 0.000 1.170 448 I CA 0.774 62.045 61.300 -0.047 0.000 1.862 448 I CB -0.966 37.046 38.000 0.020 0.000 1.579 448 I HN 0.489 nan 8.210 nan 0.000 0.885 449 N N 4.967 123.656 118.700 -0.019 0.000 2.892 449 N HA 0.097 4.837 4.740 0.001 0.000 0.300 449 N C 1.338 176.861 175.510 0.023 0.000 1.211 449 N CA 0.166 53.223 53.050 0.013 0.000 1.158 449 N CB 0.474 38.965 38.487 0.006 0.000 1.455 449 N HN 0.596 nan 8.380 nan 0.000 0.524 450 A N 2.188 125.024 122.820 0.027 0.000 2.285 450 A HA -0.166 4.155 4.320 0.001 0.000 0.214 450 A C 1.959 179.547 177.584 0.007 0.000 1.188 450 A CA 0.933 52.937 52.037 -0.056 0.000 0.707 450 A CB -0.416 18.443 19.000 -0.235 0.000 0.771 450 A HN 0.651 nan 8.150 nan 0.000 0.488 451 K N -0.890 119.550 120.400 0.068 0.000 2.444 451 K HA 0.007 4.327 4.320 0.001 0.000 0.193 451 K C 1.190 177.820 176.600 0.050 0.000 1.024 451 K CA 1.017 57.354 56.287 0.082 0.000 1.077 451 K CB -0.009 32.542 32.500 0.086 0.000 0.833 451 K HN 0.446 nan 8.250 nan 0.000 0.517 452 T N 0.775 115.347 114.554 0.029 0.000 2.894 452 T HA 0.034 4.385 4.350 0.001 0.000 0.258 452 T C 1.686 176.401 174.700 0.025 0.000 1.043 452 T CA 0.796 62.908 62.100 0.019 0.000 1.141 452 T CB 0.030 68.903 68.868 0.008 0.000 0.873 452 T HN 0.160 nan 8.240 nan 0.000 0.449 453 I N 1.403 121.992 120.570 0.032 0.000 2.333 453 I HA -0.087 4.083 4.170 0.001 0.000 0.246 453 I C 2.621 178.778 176.117 0.066 0.000 1.106 453 I CA 0.974 62.313 61.300 0.066 0.000 1.411 453 I CB -1.053 37.004 38.000 0.096 0.000 1.082 453 I HN 0.171 nan 8.210 nan 0.000 0.420 454 T N 0.919 115.505 114.554 0.054 0.000 2.759 454 T HA -0.163 4.187 4.350 0.001 0.000 0.269 454 T C 2.132 176.875 174.700 0.072 0.000 1.042 454 T CA 1.968 64.112 62.100 0.073 0.000 1.140 454 T CB -0.328 68.604 68.868 0.107 0.000 0.864 454 T HN 0.554 nan 8.240 nan 0.000 0.455 455 S N 1.377 117.115 115.700 0.064 0.000 2.348 455 S HA 0.066 4.537 4.470 0.001 0.000 0.219 455 S C 2.453 177.094 174.600 0.068 0.000 1.033 455 S CA 0.901 59.140 58.200 0.065 0.000 0.974 455 S CB -1.278 61.954 63.200 0.052 0.000 0.868 455 S HN 0.495 nan 8.310 nan 0.000 0.459 456 G N 2.766 111.589 108.800 0.038 0.000 2.553 456 G HA2 -0.169 3.792 3.960 0.001 0.000 0.218 456 G HA3 -0.169 3.792 3.960 0.001 0.000 0.218 456 G C 1.467 176.373 174.900 0.011 0.000 1.195 456 G CA 1.228 46.335 45.100 0.012 0.000 0.779 456 G HN 0.470 nan 8.290 nan 0.000 0.577 457 L N -0.032 121.193 121.223 0.004 0.000 2.013 457 L HA -0.165 4.176 4.340 0.001 0.000 0.212 457 L C 3.004 179.873 176.870 -0.001 0.000 1.073 457 L CA 1.706 56.529 54.840 -0.028 0.000 0.753 457 L CB -0.470 41.607 42.059 0.030 0.000 0.890 457 L HN 0.238 nan 8.230 nan 0.000 0.432 458 K N -0.650 119.780 120.400 0.050 0.000 1.969 458 K HA -0.277 4.044 4.320 0.001 0.000 0.216 458 K C 2.128 178.755 176.600 0.045 0.000 1.048 458 K CA 2.166 58.487 56.287 0.056 0.000 0.948 458 K CB -0.592 31.950 32.500 0.069 0.000 0.726 458 K HN 0.097 nan 8.250 nan 0.000 0.442 459 Y N 1.304 121.590 120.300 -0.023 0.000 2.062 459 Y HA -0.417 4.133 4.550 0.001 0.000 0.273 459 Y C 2.026 177.912 175.900 -0.024 0.000 1.206 459 Y CA 1.966 60.053 58.100 -0.022 0.000 1.125 459 Y CB -0.624 37.817 38.460 -0.032 0.000 0.951 459 Y HN 0.224 nan 8.280 nan 0.000 0.501 460 A N 0.385 123.256 122.820 0.085 0.000 1.844 460 A HA -0.203 4.118 4.320 0.001 0.000 0.214 460 A C 1.471 179.091 177.584 0.061 0.000 1.217 460 A CA 1.906 53.930 52.037 -0.022 0.000 0.644 460 A CB -1.395 17.321 19.000 -0.474 0.000 0.850 460 A HN 0.375 nan 8.150 nan 0.000 0.456 461 L N -0.365 120.885 121.223 0.045 0.000 3.168 461 L HA 0.240 4.580 4.340 0.001 0.000 0.253 461 L C 1.282 178.144 176.870 -0.014 0.000 1.384 461 L CA 1.100 55.972 54.840 0.054 0.000 1.131 461 L CB -0.808 41.227 42.059 -0.041 0.000 1.552 461 L HN 0.504 nan 8.230 nan 0.000 0.431 462 A N -2.345 120.439 122.820 -0.061 0.000 2.533 462 A HA 0.186 4.507 4.320 0.001 0.000 0.180 462 A C 1.543 179.036 177.584 -0.151 0.000 1.566 462 A CA 0.645 52.619 52.037 -0.104 0.000 1.153 462 A CB 0.292 19.213 19.000 -0.131 0.000 1.462 462 A HN 0.401 nan 8.150 nan 0.000 0.523 463 T N -5.366 109.078 114.554 -0.183 0.000 3.361 463 T HA 0.520 4.870 4.350 0.001 0.000 0.241 463 T C 1.471 176.133 174.700 -0.063 0.000 0.998 463 T CA 1.236 63.231 62.100 -0.174 0.000 1.215 463 T CB 0.486 69.148 68.868 -0.343 0.000 1.196 463 T HN 1.511 nan 8.240 nan 0.000 0.376 464 G N 1.405 110.209 108.800 0.007 0.000 3.382 464 G HA2 -0.058 3.902 3.960 0.001 0.000 0.214 464 G HA3 -0.058 3.902 3.960 0.001 0.000 0.214 464 G C -0.226 174.782 174.900 0.179 0.000 1.025 464 G CA -0.466 44.674 45.100 0.066 0.000 0.869 464 G HN 0.539 nan 8.290 nan 0.000 0.458 465 N N 1.521 120.325 118.700 0.172 0.000 2.394 465 N HA 0.050 4.791 4.740 0.001 0.000 0.288 465 N C 0.917 176.660 175.510 0.389 0.000 1.272 465 N CA -0.218 52.995 53.050 0.272 0.000 1.004 465 N CB 0.515 39.217 38.487 0.359 0.000 1.393 465 N HN 0.523 nan 8.380 nan 0.000 0.488 466 W N 2.767 124.107 121.300 0.066 0.000 2.273 466 W HA -0.094 4.566 4.660 0.001 0.000 0.320 466 W C 1.371 177.935 176.519 0.075 0.000 1.173 466 W CA 0.294 57.672 57.345 0.053 0.000 1.199 466 W CB -0.197 29.273 29.460 0.015 0.000 1.195 466 W HN 0.430 nan 8.180 nan 0.000 0.454 467 G N 2.385 111.295 108.800 0.182 0.000 2.401 467 G HA2 0.028 3.988 3.960 0.001 0.000 0.288 467 G HA3 0.028 3.988 3.960 0.001 0.000 0.288 467 G C 0.004 174.897 174.900 -0.013 0.000 0.917 467 G CA 0.477 45.597 45.100 0.034 0.000 1.610 467 G HN 0.513 nan 8.290 nan 0.000 0.439 468 E N 1.104 121.250 120.200 -0.089 0.000 3.440 468 E HA -0.348 4.002 4.350 0.001 0.000 0.328 468 E C 1.090 177.530 176.600 -0.268 0.000 1.514 468 E CA 1.990 58.293 56.400 -0.160 0.000 1.926 468 E CB -0.455 29.161 29.700 -0.140 0.000 1.874 468 E HN 0.681 nan 8.360 nan 0.000 0.471 469 Q N 0.143 119.731 119.800 -0.352 0.000 1.845 469 Q HA 0.302 4.643 4.340 0.001 0.000 0.152 469 Q C -0.263 175.633 176.000 -0.172 0.000 0.453 469 Q CA -0.341 55.210 55.803 -0.421 0.000 0.693 469 Q CB 0.257 28.561 28.738 -0.723 0.000 0.936 469 Q HN 0.319 nan 8.270 nan 0.000 0.323 470 K N 1.286 121.588 120.400 -0.162 0.000 2.625 470 K HA -0.252 4.068 4.320 0.001 0.000 0.190 470 K C -0.737 175.837 176.600 -0.042 0.000 1.403 470 K CA 1.374 57.610 56.287 -0.084 0.000 0.867 470 K CB -0.281 32.177 32.500 -0.071 0.000 0.664 470 K HN 0.142 nan 8.250 nan 0.000 1.001 471 K N 1.667 122.051 120.400 -0.026 0.000 2.024 471 K HA 0.233 4.553 4.320 0.001 0.000 0.210 471 K C -0.195 176.405 176.600 -0.001 0.000 1.181 471 K CA 0.456 56.737 56.287 -0.010 0.000 1.234 471 K CB -0.459 32.036 32.500 -0.007 0.000 1.179 471 K HN 0.542 nan 8.250 nan 0.000 0.230 472 A N 0.986 123.810 122.820 0.006 0.000 2.494 472 A HA -0.018 4.303 4.320 0.001 0.000 0.331 472 A C -0.582 177.018 177.584 0.027 0.000 0.860 472 A CA -0.912 51.134 52.037 0.016 0.000 0.517 472 A CB -0.329 18.680 19.000 0.014 0.000 1.641 472 A HN 0.422 nan 8.150 nan 0.000 0.528 473 M N 2.114 121.734 119.600 0.033 0.000 3.057 473 M HA 0.140 4.621 4.480 0.001 0.000 0.246 473 M C 1.452 177.781 176.300 0.048 0.000 1.289 473 M CA 0.600 55.928 55.300 0.046 0.000 1.161 473 M CB -0.402 32.222 32.600 0.040 0.000 1.302 473 M HN 0.946 nan 8.290 nan 0.000 0.483 474 S N -1.290 114.434 115.700 0.041 0.000 2.559 474 S HA -0.088 4.382 4.470 0.001 0.000 0.250 474 S C 0.995 175.633 174.600 0.062 0.000 0.977 474 S CA 0.797 59.021 58.200 0.039 0.000 0.958 474 S CB -0.628 62.585 63.200 0.022 0.000 0.751 474 S HN 0.626 nan 8.310 nan 0.000 0.534 475 S N 0.609 116.360 115.700 0.085 0.000 2.993 475 S HA 0.727 5.197 4.470 0.001 0.000 0.281 475 S C -0.643 174.029 174.600 0.118 0.000 1.033 475 S CA -1.318 56.961 58.200 0.131 0.000 0.950 475 S CB 0.821 64.133 63.200 0.187 0.000 1.349 475 S HN 0.361 nan 8.310 nan 0.000 0.652 476 R N 0.081 120.671 120.500 0.150 0.000 2.483 476 R HA 0.741 5.081 4.340 0.001 0.000 0.303 476 R C -1.054 175.294 176.300 0.079 0.000 0.987 476 R CA -0.452 55.696 56.100 0.080 0.000 0.881 476 R CB 1.826 32.147 30.300 0.035 0.000 1.177 476 R HN 0.790 nan 8.270 nan 0.000 0.451 477 A N 1.426 124.275 122.820 0.048 0.000 2.301 477 A HA 0.755 5.076 4.320 0.001 0.000 0.312 477 A C 0.974 178.550 177.584 -0.014 0.000 1.182 477 A CA 0.345 52.404 52.037 0.037 0.000 0.826 477 A CB 0.855 19.879 19.000 0.040 0.000 1.134 477 A HN 0.892 nan 8.150 nan 0.000 0.501 478 G N 0.857 109.636 108.800 -0.035 0.000 3.465 478 G HA2 -0.053 3.907 3.960 0.001 0.000 0.196 478 G HA3 -0.053 3.907 3.960 0.001 0.000 0.196 478 G C 0.286 175.119 174.900 -0.113 0.000 1.170 478 G CA 0.056 45.117 45.100 -0.066 0.000 0.887 478 G HN 1.202 nan 8.290 nan 0.000 0.444 479 V N 1.855 121.652 119.914 -0.195 0.000 3.332 479 V HA 0.415 4.536 4.120 0.001 0.000 0.305 479 V C 1.435 177.390 176.094 -0.231 0.000 1.114 479 V CA 1.121 63.228 62.300 -0.321 0.000 1.194 479 V CB 1.022 32.437 31.823 -0.679 0.000 1.027 479 V HN 2.131 nan 8.190 nan 0.000 0.492 480 S N 1.429 116.976 115.700 -0.256 0.000 3.388 480 S HA -0.154 4.316 4.470 0.001 0.000 0.569 480 S C -0.278 174.260 174.600 -0.104 0.000 0.676 480 S CA 1.228 59.327 58.200 -0.168 0.000 1.373 480 S CB -0.508 62.656 63.200 -0.060 0.000 1.106 480 S HN 0.858 nan 8.310 nan 0.000 0.833 481 Q N 2.339 122.081 119.800 -0.097 0.000 3.134 481 Q HA 0.775 5.115 4.340 0.001 0.000 0.212 481 Q C -0.685 175.288 176.000 -0.046 0.000 1.140 481 Q CA -0.675 55.104 55.803 -0.040 0.000 0.488 481 Q CB 0.820 29.583 28.738 0.042 0.000 4.910 481 Q HN 0.674 nan 8.270 nan 0.000 0.305 482 V N 1.817 121.735 119.914 0.006 0.000 2.419 482 V HA 0.237 4.357 4.120 0.001 0.000 0.287 482 V C -0.764 175.324 176.094 -0.009 0.000 1.017 482 V CA -0.820 61.455 62.300 -0.042 0.000 0.844 482 V CB 1.173 32.971 31.823 -0.041 0.000 1.011 482 V HN 0.471 nan 8.190 nan 0.000 0.429 483 L N 4.369 125.492 121.223 -0.167 0.000 2.667 483 L HA 0.111 4.452 4.340 0.001 0.000 0.278 483 L C 0.466 177.234 176.870 -0.169 0.000 1.217 483 L CA 0.764 55.481 54.840 -0.204 0.000 0.935 483 L CB -0.259 41.531 42.059 -0.449 0.000 1.193 483 L HN 0.704 nan 8.230 nan 0.000 0.493 484 N N 4.363 123.007 118.700 -0.093 0.000 2.406 484 N HA 0.082 4.823 4.740 0.001 0.000 0.274 484 N C 0.015 175.184 175.510 -0.568 0.000 1.249 484 N CA 0.201 52.864 53.050 -0.644 0.000 0.951 484 N CB 0.112 38.029 38.487 -0.951 0.000 1.241 484 N HN 0.367 nan 8.380 nan 0.000 0.485 485 R N 2.075 122.300 120.500 -0.460 0.000 3.351 485 R HA 0.215 4.555 4.340 0.001 0.000 0.296 485 R C 0.359 176.537 176.300 -0.204 0.000 1.427 485 R CA -0.110 55.700 56.100 -0.483 0.000 1.257 485 R CB -0.519 29.235 30.300 -0.910 0.000 1.378 485 R HN 0.691 nan 8.270 nan 0.000 0.610 486 Y N -1.990 118.224 120.300 -0.144 0.000 2.134 486 Y HA 0.101 4.652 4.550 0.001 0.000 0.283 486 Y C 0.716 176.676 175.900 0.101 0.000 1.108 486 Y CA 0.030 58.112 58.100 -0.030 0.000 1.096 486 Y CB 0.471 38.905 38.460 -0.043 0.000 1.005 486 Y HN -0.089 nan 8.280 nan 0.000 0.487 487 T N -1.300 113.412 114.554 0.263 0.000 2.900 487 T HA 0.132 4.482 4.350 0.001 0.000 0.295 487 T C -0.218 174.608 174.700 0.209 0.000 1.044 487 T CA -0.680 61.563 62.100 0.238 0.000 0.995 487 T CB 1.901 70.889 68.868 0.200 0.000 1.072 487 T HN 0.103 nan 8.240 nan 0.000 0.473 488 Y N 2.988 123.357 120.300 0.114 0.000 2.014 488 Y HA -0.286 4.264 4.550 0.001 0.000 0.272 488 Y C 2.818 178.785 175.900 0.112 0.000 1.164 488 Y CA 2.901 61.061 58.100 0.099 0.000 1.114 488 Y CB -0.722 37.761 38.460 0.037 0.000 0.961 488 Y HN 0.775 nan 8.280 nan 0.000 0.489 489 S N -1.180 114.671 115.700 0.251 0.000 2.389 489 S HA -0.345 4.125 4.470 0.001 0.000 0.231 489 S C 2.280 176.902 174.600 0.036 0.000 1.052 489 S CA 1.852 60.170 58.200 0.197 0.000 1.053 489 S CB -1.442 61.981 63.200 0.371 0.000 0.886 489 S HN 0.558 nan 8.310 nan 0.000 0.456 490 S N 1.401 117.123 115.700 0.037 0.000 2.349 490 S HA -0.141 4.329 4.470 0.001 0.000 0.216 490 S C 2.061 176.598 174.600 -0.105 0.000 1.033 490 S CA 2.063 60.242 58.200 -0.036 0.000 1.021 490 S CB -1.464 61.713 63.200 -0.038 0.000 0.968 490 S HN 0.720 nan 8.310 nan 0.000 0.426 491 T N 3.370 117.837 114.554 -0.145 0.000 2.718 491 T HA -0.195 4.156 4.350 0.001 0.000 0.266 491 T C 1.667 176.275 174.700 -0.152 0.000 1.033 491 T CA 1.879 63.880 62.100 -0.164 0.000 1.151 491 T CB -0.668 68.089 68.868 -0.185 0.000 0.853 491 T HN 0.323 nan 8.240 nan 0.000 0.466 492 L N 0.412 121.507 121.223 -0.213 0.000 1.948 492 L HA -0.124 4.216 4.340 0.001 0.000 0.212 492 L C 2.872 179.696 176.870 -0.076 0.000 1.074 492 L CA 1.543 56.283 54.840 -0.165 0.000 0.753 492 L CB -1.058 40.894 42.059 -0.178 0.000 0.888 492 L HN 0.266 nan 8.230 nan 0.000 0.432 493 S N -1.023 114.643 115.700 -0.056 0.000 2.381 493 S HA -0.368 4.102 4.470 0.001 0.000 0.230 493 S C 2.036 176.644 174.600 0.012 0.000 1.052 493 S CA 2.054 60.238 58.200 -0.028 0.000 1.068 493 S CB -0.600 62.581 63.200 -0.031 0.000 0.918 493 S HN 0.539 nan 8.310 nan 0.000 0.448 494 H N -0.232 118.762 119.070 -0.127 0.000 2.422 494 H HA -0.031 4.525 4.556 0.001 0.000 0.298 494 H C 2.044 177.308 175.328 -0.107 0.000 1.098 494 H CA 1.511 57.478 56.048 -0.135 0.000 1.315 494 H CB -0.060 29.587 29.762 -0.191 0.000 1.382 494 H HN 0.390 nan 8.280 nan 0.000 0.523 495 L N 0.222 121.408 121.223 -0.060 0.000 2.109 495 L HA -0.070 4.270 4.340 0.001 0.000 0.207 495 L C 1.467 178.299 176.870 -0.063 0.000 1.086 495 L CA 0.903 55.679 54.840 -0.107 0.000 0.760 495 L CB -0.003 42.013 42.059 -0.072 0.000 0.910 495 L HN 0.177 nan 8.230 nan 0.000 0.437 496 R N 0.647 121.124 120.500 -0.038 0.000 3.541 496 R HA 0.159 4.499 4.340 0.001 0.000 0.277 496 R C 0.077 176.363 176.300 -0.023 0.000 1.539 496 R CA -0.132 55.949 56.100 -0.032 0.000 1.338 496 R CB -0.281 30.002 30.300 -0.028 0.000 1.343 496 R HN 0.168 nan 8.270 nan 0.000 0.623 497 R N 0.546 121.036 120.500 -0.017 0.000 2.460 497 R HA 0.245 4.585 4.340 0.001 0.000 0.303 497 R C -0.915 175.372 176.300 -0.021 0.000 0.968 497 R CA -0.219 55.877 56.100 -0.006 0.000 0.889 497 R CB 1.804 32.130 30.300 0.044 0.000 1.123 497 R HN -0.090 nan 8.270 nan 0.000 0.455 498 T N 2.362 116.904 114.554 -0.019 0.000 2.829 498 T HA 0.338 4.688 4.350 0.001 0.000 0.280 498 T C -1.089 173.597 174.700 -0.023 0.000 0.999 498 T CA -0.662 61.428 62.100 -0.018 0.000 0.983 498 T CB 0.989 69.866 68.868 0.016 0.000 0.968 498 T HN 0.677 nan 8.240 nan 0.000 0.446 499 N N 1.314 119.992 118.700 -0.037 0.000 2.335 499 N HA 0.643 5.384 4.740 0.001 0.000 0.304 499 N C -1.458 174.035 175.510 -0.029 0.000 1.135 499 N CA -0.382 52.644 53.050 -0.040 0.000 0.817 499 N CB 1.829 40.277 38.487 -0.064 0.000 1.294 499 N HN 0.461 nan 8.380 nan 0.000 0.497 500 T N 2.934 117.477 114.554 -0.019 0.000 2.879 500 T HA 0.473 4.824 4.350 0.001 0.000 0.290 500 T C -2.605 172.088 174.700 -0.013 0.000 0.993 500 T CA -0.845 61.251 62.100 -0.006 0.000 0.975 500 T CB 1.796 70.677 68.868 0.022 0.000 0.981 500 T HN 0.470 nan 8.240 nan 0.000 0.439 501 P HA 0.644 nan 4.420 nan 0.000 0.277 501 P C -1.032 176.263 177.300 -0.007 0.000 1.271 501 P CA -0.526 62.564 63.100 -0.016 0.000 0.795 501 P CB 0.653 32.341 31.700 -0.019 0.000 1.101 508 L N 2.233 123.451 121.223 -0.009 0.000 2.431 508 L HA 0.827 5.168 4.340 0.001 0.000 0.260 508 L C 0.354 177.219 176.870 -0.008 0.000 1.098 508 L CA 1.296 56.132 54.840 -0.007 0.000 0.800 508 L CB 1.390 43.444 42.059 -0.008 0.000 1.210 508 L HN 1.024 nan 8.230 nan 0.000 0.465 509 A N 0.989 123.807 122.820 -0.004 0.000 5.437 509 A HA -0.146 4.175 4.320 0.001 0.000 0.216 509 A C 0.958 178.547 177.584 0.009 0.000 2.490 509 A CA 0.465 52.500 52.037 -0.003 0.000 0.701 509 A CB -1.586 17.406 19.000 -0.014 0.000 0.783 509 A HN 0.902 nan 8.150 nan 0.000 0.310 510 K N 0.107 120.512 120.400 0.009 0.000 1.974 510 K HA -0.233 4.087 4.320 0.001 0.000 0.233 510 K C -0.518 176.118 176.600 0.059 0.000 1.017 510 K CA 2.107 58.414 56.287 0.033 0.000 1.030 510 K CB -2.122 30.385 32.500 0.012 0.000 0.728 510 K HN 0.464 nan 8.250 nan 0.000 0.455 511 P HA -0.294 nan 4.420 nan 0.000 0.214 511 P C 1.173 178.524 177.300 0.085 0.000 0.989 511 P CA 2.502 65.644 63.100 0.070 0.000 1.008 511 P CB -0.225 31.498 31.700 0.039 0.000 0.747 512 R N -1.019 119.509 120.500 0.047 0.000 2.133 512 R HA -0.173 4.168 4.340 0.001 0.000 0.245 512 R C 1.369 177.691 176.300 0.036 0.000 1.137 512 R CA 1.139 57.257 56.100 0.029 0.000 0.947 512 R CB -1.063 29.245 30.300 0.013 0.000 0.865 512 R HN 0.361 nan 8.270 nan 0.000 0.437 513 Q N 0.645 120.476 119.800 0.050 0.000 2.379 513 Q HA -0.044 4.297 4.340 0.001 0.000 0.320 513 Q C -0.733 175.325 176.000 0.096 0.000 1.153 513 Q CA 0.273 56.109 55.803 0.054 0.000 0.993 513 Q CB 0.326 29.095 28.738 0.051 0.000 1.265 513 Q HN 0.083 nan 8.270 nan 0.000 0.423 514 L N 3.089 124.351 121.223 0.066 0.000 2.283 514 L HA 0.242 4.583 4.340 0.001 0.000 0.287 514 L C -0.891 176.093 176.870 0.189 0.000 1.073 514 L CA 0.154 55.056 54.840 0.103 0.000 0.822 514 L CB 0.178 42.247 42.059 0.016 0.000 1.186 514 L HN 0.633 nan 8.230 nan 0.000 0.436 515 H N 3.019 122.294 119.070 0.341 0.000 2.505 515 H HA 0.303 4.859 4.556 0.001 0.000 0.355 515 H C 1.065 176.408 175.328 0.025 0.000 1.179 515 H CA 0.574 56.658 56.048 0.059 0.000 1.343 515 H CB 0.983 30.624 29.762 -0.202 0.000 1.501 515 H HN 0.796 nan 8.280 nan 0.000 0.569 516 N N 0.442 119.082 118.700 -0.101 0.000 2.043 516 N HA -0.205 4.536 4.740 0.001 0.000 0.193 516 N C 1.434 177.046 175.510 0.170 0.000 1.037 516 N CA 1.615 54.690 53.050 0.041 0.000 0.851 516 N CB -0.216 38.230 38.487 -0.068 0.000 1.027 516 N HN 0.715 nan 8.380 nan 0.000 0.422 517 T N -1.163 113.539 114.554 0.246 0.000 3.052 517 T HA -0.148 4.203 4.350 0.001 0.000 0.270 517 T C 1.309 175.992 174.700 -0.030 0.000 1.147 517 T CA 1.028 63.139 62.100 0.019 0.000 1.089 517 T CB -0.359 68.360 68.868 -0.249 0.000 0.875 517 T HN 0.296 nan 8.240 nan 0.000 0.541 518 H N -0.884 118.166 119.070 -0.032 0.000 2.512 518 H HA 0.130 4.686 4.556 0.001 0.000 0.279 518 H C 0.963 176.229 175.328 -0.104 0.000 0.999 518 H CA -0.109 55.757 56.048 -0.304 0.000 1.283 518 H CB -0.361 29.235 29.762 -0.277 0.000 1.421 518 H HN 0.556 nan 8.280 nan 0.000 0.554 519 W N 2.382 123.685 121.300 0.005 0.000 2.391 519 W HA 0.026 4.687 4.660 0.001 0.000 0.339 519 W C 1.144 177.667 176.519 0.008 0.000 1.252 519 W CA 2.093 59.439 57.345 0.002 0.000 1.304 519 W CB 0.069 29.530 29.460 0.000 0.000 1.179 519 W HN 0.541 nan 8.180 nan 0.000 0.567 520 G N 4.219 112.634 108.800 -0.643 0.000 2.779 520 G HA2 -0.400 3.561 3.960 0.001 0.000 0.230 520 G HA3 -0.400 3.561 3.960 0.001 0.000 0.230 520 G C 1.116 175.939 174.900 -0.129 0.000 1.243 520 G CA 0.782 45.653 45.100 -0.382 0.000 0.769 520 G HN 0.594 nan 8.290 nan 0.000 0.516 521 L N 0.216 121.434 121.223 -0.010 0.000 2.072 521 L HA 0.234 4.574 4.340 0.001 0.000 0.205 521 L C 1.181 178.040 176.870 -0.017 0.000 1.079 521 L CA 1.113 55.984 54.840 0.052 0.000 0.752 521 L CB -0.446 41.760 42.059 0.246 0.000 0.906 521 L HN 0.265 nan 8.230 nan 0.000 0.436 522 V N -1.198 118.647 119.914 -0.116 0.000 2.864 522 V HA 0.209 4.330 4.120 0.001 0.000 0.314 522 V C -0.238 175.745 176.094 -0.186 0.000 1.073 522 V CA -1.242 60.961 62.300 -0.162 0.000 0.956 522 V CB 2.611 34.258 31.823 -0.293 0.000 1.023 522 V HN 0.221 nan 8.190 nan 0.000 0.435 523 C N 6.103 125.308 119.300 -0.159 0.000 2.652 523 C HA 0.363 4.824 4.460 0.001 0.000 0.412 523 C C -0.328 174.566 174.990 -0.159 0.000 1.294 523 C CA -0.649 58.279 59.018 -0.149 0.000 2.127 523 C CB 0.707 28.381 27.740 -0.110 0.000 2.691 523 C HN 0.872 nan 8.230 nan 0.000 0.615 524 P HA 0.076 nan 4.420 nan 0.000 0.218 524 P C 1.055 178.306 177.300 -0.081 0.000 1.151 524 P CA 1.878 64.914 63.100 -0.107 0.000 0.850 524 P CB 0.101 31.755 31.700 -0.077 0.000 0.801 525 A N 0.514 123.293 122.820 -0.069 0.000 1.911 525 A HA -0.029 4.292 4.320 0.001 0.000 0.212 525 A C 1.479 179.041 177.584 -0.036 0.000 1.189 525 A CA 0.219 52.227 52.037 -0.048 0.000 0.639 525 A CB -1.037 17.938 19.000 -0.042 0.000 0.839 525 A HN 0.237 nan 8.150 nan 0.000 0.449 526 E N 0.952 121.126 120.200 -0.044 0.000 2.159 526 E HA 0.306 4.656 4.350 0.001 0.000 0.272 526 E C -0.708 175.868 176.600 -0.039 0.000 1.138 526 E CA 0.239 56.620 56.400 -0.031 0.000 0.915 526 E CB 0.014 29.690 29.700 -0.039 0.000 1.028 526 E HN 0.224 nan 8.360 nan 0.000 0.423 527 T N 4.708 119.252 114.554 -0.017 0.000 2.957 527 T HA 0.309 4.659 4.350 0.001 0.000 0.336 527 T C -2.840 171.859 174.700 -0.002 0.000 1.462 527 T CA -1.493 60.592 62.100 -0.025 0.000 1.073 527 T CB 1.476 70.321 68.868 -0.038 0.000 1.319 527 T HN 0.326 nan 8.240 nan 0.000 0.485 528 P HA 0.180 nan 4.420 nan 0.000 0.263 528 P C -0.578 176.719 177.300 -0.004 0.000 1.195 528 P CA 0.025 63.115 63.100 -0.017 0.000 0.762 528 P CB 0.319 32.001 31.700 -0.032 0.000 0.799 529 E N 2.170 122.365 120.200 -0.007 0.000 2.324 529 E HA 0.367 4.718 4.350 0.001 0.000 0.271 529 E C 1.164 177.755 176.600 -0.016 0.000 1.028 529 E CA -0.047 56.355 56.400 0.003 0.000 0.890 529 E CB 0.090 29.759 29.700 -0.053 0.000 1.004 529 E HN 0.744 nan 8.360 nan 0.000 0.431 530 G N 2.598 111.399 108.800 0.001 0.000 2.645 530 G HA2 -0.413 3.547 3.960 0.001 0.000 0.246 530 G HA3 -0.413 3.547 3.960 0.001 0.000 0.246 530 G C 0.465 175.356 174.900 -0.015 0.000 1.322 530 G CA 0.219 45.313 45.100 -0.009 0.000 0.898 530 G HN 0.917 nan 8.290 nan 0.000 0.573 531 Q N -2.535 117.254 119.800 -0.018 0.000 2.443 531 Q HA -0.279 4.061 4.340 0.001 0.000 0.445 531 Q C 1.635 177.625 176.000 -0.017 0.000 0.566 531 Q CA 2.739 58.530 55.803 -0.020 0.000 0.976 531 Q CB -1.675 27.048 28.738 -0.025 0.000 2.346 531 Q HN 2.550 nan 8.270 nan 0.000 1.001 532 A N 0.708 123.516 122.820 -0.020 0.000 3.135 532 A HA 0.390 4.710 4.320 0.001 0.000 0.253 532 A C 0.111 177.684 177.584 -0.018 0.000 1.638 532 A CA 0.113 52.139 52.037 -0.018 0.000 1.295 532 A CB -0.584 18.403 19.000 -0.022 0.000 1.106 532 A HN 0.513 nan 8.150 nan 0.000 0.648 533 C N 0.580 119.872 119.300 -0.014 0.000 2.482 533 C HA 0.541 5.002 4.460 0.001 0.000 0.378 533 C C 1.648 176.630 174.990 -0.014 0.000 1.284 533 C CA 1.142 60.153 59.018 -0.012 0.000 1.826 533 C CB -1.210 26.529 27.740 -0.002 0.000 2.473 533 C HN 1.663 nan 8.230 nan 0.000 0.562 534 G N 4.735 113.520 108.800 -0.025 0.000 2.175 534 G HA2 -0.222 3.738 3.960 0.001 0.000 0.244 534 G HA3 -0.222 3.738 3.960 0.001 0.000 0.244 534 G C 0.460 175.344 174.900 -0.028 0.000 0.982 534 G CA 0.542 45.621 45.100 -0.035 0.000 0.641 534 G HN 0.699 nan 8.290 nan 0.000 0.527 535 L N -0.156 121.056 121.223 -0.019 0.000 2.316 535 L HA 0.317 4.657 4.340 0.001 0.000 0.207 535 L C 1.187 178.048 176.870 -0.016 0.000 1.070 535 L CA 0.390 55.225 54.840 -0.008 0.000 0.820 535 L CB 0.301 42.355 42.059 -0.008 0.000 0.992 535 L HN 0.110 nan 8.230 nan 0.000 0.466 536 V N 1.726 121.623 119.914 -0.029 0.000 2.406 536 V HA 0.216 4.336 4.120 0.001 0.000 0.272 536 V C -0.175 175.891 176.094 -0.047 0.000 1.043 536 V CA -0.360 61.920 62.300 -0.034 0.000 0.915 536 V CB 0.973 32.774 31.823 -0.038 0.000 0.988 536 V HN 0.189 nan 8.190 nan 0.000 0.466 537 K N 3.906 124.278 120.400 -0.046 0.000 2.395 537 K HA 0.579 4.900 4.320 0.001 0.000 0.247 537 K C -1.091 175.475 176.600 -0.055 0.000 0.973 537 K CA -1.036 55.207 56.287 -0.074 0.000 0.828 537 K CB 2.078 34.512 32.500 -0.110 0.000 1.272 537 K HN 0.446 nan 8.250 nan 0.000 0.439 538 N N 1.917 120.574 118.700 -0.071 0.000 2.372 538 N HA 0.302 5.043 4.740 0.001 0.000 0.285 538 N C -0.862 174.612 175.510 -0.060 0.000 1.008 538 N CA -0.635 52.383 53.050 -0.054 0.000 0.880 538 N CB 1.284 39.740 38.487 -0.051 0.000 1.239 538 N HN 0.311 nan 8.380 nan 0.000 0.484 539 L N 0.917 122.118 121.223 -0.037 0.000 2.461 539 L HA 0.195 4.536 4.340 0.001 0.000 0.272 539 L C 1.421 178.267 176.870 -0.040 0.000 1.197 539 L CA 0.156 54.978 54.840 -0.031 0.000 0.836 539 L CB 0.001 42.051 42.059 -0.014 0.000 1.105 539 L HN 0.353 nan 8.230 nan 0.000 0.477 540 S N 1.229 116.900 115.700 -0.049 0.000 2.612 540 S HA 0.204 4.675 4.470 0.001 0.000 0.253 540 S C 1.450 176.054 174.600 0.007 0.000 1.346 540 S CA -0.520 57.652 58.200 -0.047 0.000 0.976 540 S CB 0.325 63.476 63.200 -0.081 0.000 0.949 540 S HN 0.515 nan 8.310 nan 0.000 0.584 541 L N 0.373 121.627 121.223 0.051 0.000 2.049 541 L HA -0.085 4.255 4.340 0.001 0.000 0.203 541 L C 2.530 179.538 176.870 0.229 0.000 1.074 541 L CA 0.927 55.865 54.840 0.164 0.000 0.749 541 L CB -0.455 41.735 42.059 0.219 0.000 0.907 541 L HN 0.571 nan 8.230 nan 0.000 0.439 542 M N 0.405 120.130 119.600 0.208 0.000 2.117 542 M HA -0.077 4.404 4.480 0.001 0.000 0.262 542 M C 1.586 177.972 176.300 0.144 0.000 1.065 542 M CA 0.891 56.339 55.300 0.247 0.000 1.114 542 M CB -1.272 31.354 32.600 0.043 0.000 1.361 542 M HN 0.384 nan 8.290 nan 0.000 0.408 543 S N -0.181 115.539 115.700 0.033 0.000 2.525 543 S HA 0.027 4.498 4.470 0.001 0.000 0.282 543 S C 0.079 174.594 174.600 -0.143 0.000 1.324 543 S CA -0.523 57.647 58.200 -0.051 0.000 1.025 543 S CB 0.317 63.495 63.200 -0.035 0.000 0.820 543 S HN 0.544 nan 8.310 nan 0.000 0.514 544 C N 2.140 121.211 119.300 -0.382 0.000 3.181 544 C HA 0.478 4.939 4.460 0.001 0.000 0.362 544 C C -0.400 174.027 174.990 -0.939 0.000 1.125 544 C CA -0.838 57.817 59.018 -0.604 0.000 1.265 544 C CB 0.605 27.955 27.740 -0.649 0.000 1.632 544 C HN 0.958 nan 8.230 nan 0.000 0.525 545 I N 3.862 124.111 120.570 -0.535 0.000 2.472 545 I HA 0.303 4.473 4.170 0.001 0.000 0.290 545 I C 0.794 176.783 176.117 -0.214 0.000 1.016 545 I CA 0.312 61.403 61.300 -0.349 0.000 1.348 545 I CB 1.733 39.644 38.000 -0.148 0.000 1.417 545 I HN 0.826 nan 8.210 nan 0.000 0.521 546 S N 4.884 120.602 115.700 0.030 0.000 2.565 546 S HA 0.151 4.622 4.470 0.001 0.000 0.276 546 S C 0.449 175.130 174.600 0.134 0.000 1.326 546 S CA -0.759 57.620 58.200 0.299 0.000 1.045 546 S CB 1.967 65.348 63.200 0.302 0.000 0.918 546 S HN 0.540 nan 8.310 nan 0.000 0.505 547 V N 2.463 122.459 119.914 0.136 0.000 2.949 547 V HA 0.503 4.623 4.120 0.001 0.000 0.245 547 V C 0.967 177.090 176.094 0.047 0.000 1.086 547 V CA 1.437 63.779 62.300 0.069 0.000 1.097 547 V CB -0.540 31.311 31.823 0.047 0.000 0.762 547 V HN 1.724 nan 8.190 nan 0.000 0.470 548 G N 0.113 108.948 108.800 0.057 0.000 3.069 548 G HA2 0.008 3.969 3.960 0.001 0.000 0.686 548 G HA3 0.008 3.969 3.960 0.001 0.000 0.686 548 G C -0.425 174.491 174.900 0.026 0.000 1.161 548 G CA -0.242 44.883 45.100 0.043 0.000 0.804 548 G HN 0.563 nan 8.290 nan 0.000 0.608 549 T N 0.840 115.418 114.554 0.039 0.000 2.688 549 T HA 0.723 5.074 4.350 0.001 0.000 0.249 549 T C -0.522 174.211 174.700 0.056 0.000 0.944 549 T CA -0.300 61.824 62.100 0.039 0.000 1.058 549 T CB 1.432 70.321 68.868 0.035 0.000 1.673 549 T HN 0.699 nan 8.240 nan 0.000 0.565 550 D N 0.985 121.421 120.400 0.061 0.000 2.350 550 D HA 0.335 4.976 4.640 0.001 0.000 0.245 550 D C -1.543 174.790 176.300 0.055 0.000 1.036 550 D CA -2.258 51.782 54.000 0.066 0.000 0.848 550 D CB 2.193 43.037 40.800 0.074 0.000 1.307 550 D HN 0.069 nan 8.370 nan 0.000 0.469 551 P HA -0.068 nan 4.420 nan 0.000 0.215 551 P C 1.804 179.114 177.300 0.016 0.000 1.157 551 P CA 0.794 63.922 63.100 0.047 0.000 0.856 551 P CB 0.539 32.285 31.700 0.077 0.000 0.786 552 M N 0.741 120.359 119.600 0.029 0.000 2.113 552 M HA -0.132 4.349 4.480 0.001 0.000 0.255 552 M C -0.358 175.968 176.300 0.044 0.000 1.073 552 M CA 3.175 58.492 55.300 0.028 0.000 1.091 552 M CB -2.448 30.177 32.600 0.042 0.000 1.309 552 M HN 0.026 nan 8.290 nan 0.000 0.407 553 P HA -0.126 nan 4.420 nan 0.000 0.226 553 P C 1.074 178.437 177.300 0.106 0.000 1.146 553 P CA 1.536 64.686 63.100 0.085 0.000 0.773 553 P CB -0.224 31.516 31.700 0.066 0.000 0.772 554 I N -2.216 118.381 120.570 0.044 0.000 4.139 554 I HA 0.066 4.237 4.170 0.001 0.000 0.320 554 I C 2.400 178.532 176.117 0.025 0.000 1.290 554 I CA -0.005 61.301 61.300 0.010 0.000 1.253 554 I CB 0.084 38.039 38.000 -0.074 0.000 1.122 554 I HN -0.205 nan 8.210 nan 0.000 0.421 555 I N 0.850 121.403 120.570 -0.029 0.000 2.233 555 I HA -0.227 3.944 4.170 0.001 0.000 0.243 555 I C 2.496 178.613 176.117 -0.000 0.000 1.093 555 I CA 1.528 62.753 61.300 -0.125 0.000 1.380 555 I CB -0.174 37.718 38.000 -0.181 0.000 1.067 555 I HN 0.176 nan 8.210 nan 0.000 0.413 556 T N 0.938 115.524 114.554 0.053 0.000 2.595 556 T HA -0.270 4.081 4.350 0.001 0.000 0.264 556 T C 1.725 176.512 174.700 0.144 0.000 1.058 556 T CA 1.742 63.891 62.100 0.082 0.000 1.166 556 T CB -0.618 68.300 68.868 0.085 0.000 0.863 556 T HN 0.300 nan 8.240 nan 0.000 0.415 557 F N 1.236 121.209 119.950 0.038 0.000 2.184 557 F HA -0.168 4.360 4.527 0.001 0.000 0.301 557 F C 1.899 177.776 175.800 0.129 0.000 1.076 557 F CA 1.088 59.143 58.000 0.091 0.000 1.295 557 F CB -0.233 38.788 39.000 0.035 0.000 1.026 557 F HN 0.100 nan 8.300 nan 0.000 0.494 558 L N -0.368 121.070 121.223 0.359 0.000 2.007 558 L HA -0.221 4.119 4.340 0.001 0.000 0.205 558 L C 2.832 179.793 176.870 0.153 0.000 1.073 558 L CA 1.416 56.404 54.840 0.247 0.000 0.744 558 L CB -1.090 41.038 42.059 0.114 0.000 0.898 558 L HN 0.261 nan 8.230 nan 0.000 0.435 559 S N -0.119 115.634 115.700 0.089 0.000 2.380 559 S HA -0.278 4.193 4.470 0.001 0.000 0.229 559 S C 1.351 175.967 174.600 0.026 0.000 1.043 559 S CA 1.444 59.674 58.200 0.050 0.000 1.038 559 S CB -0.745 62.471 63.200 0.027 0.000 0.872 559 S HN 0.473 nan 8.310 nan 0.000 0.456 560 E N -0.442 119.761 120.200 0.006 0.000 2.352 560 E HA 0.033 4.383 4.350 0.001 0.000 0.197 560 E C -0.278 176.191 176.600 -0.218 0.000 1.224 560 E CA 0.026 56.354 56.400 -0.120 0.000 1.118 560 E CB -0.246 29.352 29.700 -0.170 0.000 1.198 560 E HN 0.799 nan 8.360 nan 0.000 0.454 561 W N -1.405 119.813 121.300 -0.136 0.000 1.189 561 W HA 0.188 4.848 4.660 0.001 0.000 0.167 561 W C 1.088 177.545 176.519 -0.104 0.000 0.719 561 W CA 0.130 57.398 57.345 -0.129 0.000 0.700 561 W CB 1.246 30.625 29.460 -0.134 0.000 0.783 561 W HN 0.135 nan 8.180 nan 0.000 0.469 562 G N 0.586 109.449 108.800 0.106 0.000 3.800 562 G HA2 -0.005 3.956 3.960 0.001 0.000 0.221 562 G HA3 -0.005 3.956 3.960 0.001 0.000 0.221 562 G C -0.535 174.540 174.900 0.291 0.000 0.893 562 G CA -0.472 44.747 45.100 0.199 0.000 0.986 562 G HN -0.018 nan 8.290 nan 0.000 0.719 563 M N 2.223 121.897 119.600 0.122 0.000 2.063 563 M HA 0.536 5.016 4.480 0.001 0.000 0.348 563 M C -0.277 176.071 176.300 0.080 0.000 1.180 563 M CA -0.294 55.079 55.300 0.121 0.000 1.059 563 M CB 0.450 33.097 32.600 0.078 0.000 1.544 563 M HN 0.115 nan 8.290 nan 0.000 0.447 564 E N 7.324 127.570 120.200 0.076 0.000 2.223 564 E HA 0.247 4.598 4.350 0.001 0.000 0.282 564 E C -2.219 174.359 176.600 -0.036 0.000 1.046 564 E CA -1.763 54.648 56.400 0.018 0.000 0.857 564 E CB 0.348 30.060 29.700 0.019 0.000 1.055 564 E HN 0.468 nan 8.360 nan 0.000 0.409 565 P HA -0.128 nan 4.420 nan 0.000 0.265 565 P C 0.463 177.637 177.300 -0.210 0.000 1.187 565 P CA -0.040 63.004 63.100 -0.094 0.000 0.766 565 P CB 0.911 32.573 31.700 -0.063 0.000 0.820 566 L N 3.192 124.225 121.223 -0.317 0.000 2.083 566 L HA -0.174 4.166 4.340 0.001 0.000 0.209 566 L C 2.366 178.946 176.870 -0.482 0.000 1.083 566 L CA 1.799 56.271 54.840 -0.612 0.000 0.752 566 L CB -1.050 40.623 42.059 -0.644 0.000 0.899 566 L HN 0.311 nan 8.230 nan 0.000 0.433 567 E N 0.246 120.302 120.200 -0.240 0.000 2.136 567 E HA -0.227 4.124 4.350 0.001 0.000 0.208 567 E C 0.101 176.620 176.600 -0.135 0.000 1.035 567 E CA 1.676 57.991 56.400 -0.142 0.000 0.838 567 E CB -0.595 29.044 29.700 -0.103 0.000 0.748 567 E HN 0.636 nan 8.360 nan 0.000 0.459 568 D N -0.246 120.064 120.400 -0.151 0.000 2.472 568 D HA 0.175 4.816 4.640 0.001 0.000 0.234 568 D C -0.841 175.382 176.300 -0.129 0.000 1.088 568 D CA -0.287 53.647 54.000 -0.110 0.000 0.882 568 D CB 0.420 41.167 40.800 -0.088 0.000 1.037 568 D HN 0.007 nan 8.370 nan 0.000 0.520 569 Y N 1.377 121.487 120.300 -0.316 0.000 2.393 569 Y HA 0.324 4.874 4.550 0.001 0.000 0.341 569 Y C -0.347 175.453 175.900 -0.166 0.000 0.988 569 Y CA -1.182 56.706 58.100 -0.353 0.000 1.078 569 Y CB 1.722 39.733 38.460 -0.747 0.000 1.203 569 Y HN 0.131 nan 8.280 nan 0.000 0.453 570 V N 6.540 125.912 119.914 -0.903 0.000 2.204 570 V HA 0.355 4.476 4.120 0.001 0.000 0.264 570 V C -1.905 173.588 176.094 -1.001 0.000 1.106 570 V CA -1.771 60.075 62.300 -0.757 0.000 0.947 570 V CB 0.342 31.826 31.823 -0.565 0.000 1.164 570 V HN 0.737 nan 8.190 nan 0.000 0.461 571 P HA -0.325 nan 4.420 nan 0.000 0.225 571 P C 1.179 178.400 177.300 -0.130 0.000 1.154 571 P CA 2.845 65.799 63.100 -0.244 0.000 0.933 571 P CB -0.094 31.684 31.700 0.130 0.000 0.790 572 H N -1.314 117.688 119.070 -0.113 0.000 2.451 572 H HA 0.136 4.692 4.556 0.001 0.000 0.294 572 H C 2.060 177.340 175.328 -0.080 0.000 1.028 572 H CA 0.563 56.582 56.048 -0.049 0.000 1.349 572 H CB -1.047 28.702 29.762 -0.022 0.000 1.444 572 H HN 0.217 nan 8.280 nan 0.000 0.538 573 Q N 1.666 121.193 119.800 -0.456 0.000 2.368 573 Q HA -0.035 4.306 4.340 0.001 0.000 0.210 573 Q C -0.107 175.772 176.000 -0.201 0.000 0.982 573 Q CA 0.801 56.441 55.803 -0.272 0.000 0.884 573 Q CB 0.292 28.828 28.738 -0.336 0.000 0.933 573 Q HN 0.233 nan 8.270 nan 0.000 0.460 574 S N 1.019 116.574 115.700 -0.242 0.000 2.158 574 S HA 0.199 4.669 4.470 0.001 0.000 0.160 574 S C -2.074 172.522 174.600 -0.007 0.000 1.693 574 S CA -1.006 57.115 58.200 -0.132 0.000 1.251 574 S CB 1.549 64.627 63.200 -0.202 0.000 1.153 574 S HN 0.278 nan 8.310 nan 0.000 0.439 575 P HA -0.100 nan 4.420 nan 0.000 0.214 575 P C 0.040 177.434 177.300 0.156 0.000 1.163 575 P CA 1.464 64.631 63.100 0.111 0.000 0.883 575 P CB 0.123 31.874 31.700 0.085 0.000 0.788 576 D N -0.547 119.928 120.400 0.124 0.000 2.559 576 D HA 0.253 4.893 4.640 0.001 0.000 0.234 576 D C 0.244 176.628 176.300 0.140 0.000 1.226 576 D CA -0.279 53.802 54.000 0.136 0.000 0.830 576 D CB 0.077 40.934 40.800 0.095 0.000 1.028 576 D HN 0.095 nan 8.370 nan 0.000 0.492 577 A N 1.183 124.105 122.820 0.170 0.000 2.507 577 A HA 0.084 4.405 4.320 0.001 0.000 0.281 577 A C 0.788 178.493 177.584 0.202 0.000 1.154 577 A CA 0.224 52.369 52.037 0.179 0.000 0.828 577 A CB -0.515 18.654 19.000 0.283 0.000 1.069 577 A HN -0.025 nan 8.150 nan 0.000 0.522 578 T N 4.991 119.636 114.554 0.151 0.000 2.759 578 T HA 0.150 4.500 4.350 0.001 0.000 0.273 578 T C 0.917 175.721 174.700 0.173 0.000 0.938 578 T CA 0.161 62.357 62.100 0.161 0.000 1.197 578 T CB -0.480 68.471 68.868 0.138 0.000 0.887 578 T HN 0.762 nan 8.240 nan 0.000 0.540 579 R N 1.932 122.545 120.500 0.189 0.000 2.643 579 R HA 0.445 4.785 4.340 0.001 0.000 0.270 579 R C -0.873 175.418 176.300 -0.015 0.000 1.061 579 R CA -0.581 55.641 56.100 0.202 0.000 1.107 579 R CB 0.305 30.774 30.300 0.283 0.000 0.999 579 R HN 0.246 nan 8.270 nan 0.000 0.460 580 V N 3.055 122.938 119.914 -0.053 0.000 2.680 580 V HA 0.490 4.611 4.120 0.001 0.000 0.309 580 V C -0.778 175.137 176.094 -0.298 0.000 1.052 580 V CA -0.710 61.531 62.300 -0.098 0.000 0.908 580 V CB 1.431 33.290 31.823 0.060 0.000 1.001 580 V HN 0.601 nan 8.190 nan 0.000 0.431 581 F N 2.407 122.387 119.950 0.050 0.000 2.532 581 F HA 0.753 5.280 4.527 0.001 0.000 0.321 581 F C -0.112 175.759 175.800 0.118 0.000 1.089 581 F CA -0.936 57.115 58.000 0.084 0.000 0.926 581 F CB 2.156 41.136 39.000 -0.034 0.000 1.168 581 F HN 0.174 nan 8.300 nan 0.000 0.459 582 V N 3.113 123.321 119.914 0.490 0.000 2.577 582 V HA 0.309 4.429 4.120 0.001 0.000 0.303 582 V C -0.473 175.914 176.094 0.489 0.000 1.042 582 V CA -1.026 61.517 62.300 0.405 0.000 0.872 582 V CB 1.659 33.677 31.823 0.325 0.000 0.998 582 V HN 0.835 nan 8.190 nan 0.000 0.423 583 N N 4.083 123.125 118.700 0.570 0.000 2.678 583 N HA -0.211 4.529 4.740 0.001 0.000 0.249 583 N C 0.884 176.642 175.510 0.415 0.000 1.119 583 N CA 1.810 55.148 53.050 0.479 0.000 0.718 583 N CB -1.008 37.636 38.487 0.261 0.000 1.060 583 N HN 1.634 nan 8.380 nan 0.000 0.552 584 G N -2.512 106.667 108.800 0.633 0.000 2.248 584 G HA2 -0.137 3.824 3.960 0.001 0.000 0.252 584 G HA3 -0.137 3.824 3.960 0.001 0.000 0.252 584 G C -0.359 174.797 174.900 0.425 0.000 1.085 584 G CA 0.099 45.463 45.100 0.440 0.000 0.845 584 G HN 0.597 nan 8.290 nan 0.000 0.494 585 V N -0.766 119.425 119.914 0.461 0.000 2.971 585 V HA 0.680 4.801 4.120 0.001 0.000 0.309 585 V C -0.456 175.786 176.094 0.247 0.000 1.130 585 V CA -1.347 61.074 62.300 0.201 0.000 0.964 585 V CB 2.058 33.771 31.823 -0.184 0.000 1.029 585 V HN 0.343 nan 8.190 nan 0.000 0.427 586 W N 4.070 125.354 121.300 -0.026 0.000 2.433 586 W HA 0.447 5.108 4.660 0.001 0.000 0.331 586 W C 0.814 177.127 176.519 -0.342 0.000 1.110 586 W CA -0.516 56.653 57.345 -0.294 0.000 1.450 586 W CB 0.100 29.506 29.460 -0.091 0.000 1.348 586 W HN 0.695 nan 8.180 nan 0.000 0.415 587 H N 3.536 122.689 119.070 0.138 0.000 2.517 587 H HA 0.269 4.826 4.556 0.001 0.000 0.282 587 H C 1.292 176.569 175.328 -0.086 0.000 1.023 587 H CA 1.019 57.082 56.048 0.025 0.000 1.169 587 H CB 0.339 30.133 29.762 0.053 0.000 1.454 587 H HN 0.590 nan 8.280 nan 0.000 0.556 588 G N 0.030 108.733 108.800 -0.161 0.000 2.297 588 G HA2 -0.064 3.897 3.960 0.001 0.000 0.209 588 G HA3 -0.064 3.897 3.960 0.001 0.000 0.209 588 G C -1.262 173.522 174.900 -0.194 0.000 1.267 588 G CA -0.256 44.634 45.100 -0.350 0.000 1.127 588 G HN 0.153 nan 8.290 nan 0.000 0.498 589 V N -0.460 119.406 119.914 -0.079 0.000 3.156 589 V HA 0.909 5.029 4.120 0.001 0.000 0.310 589 V C -0.519 175.678 176.094 0.172 0.000 1.234 589 V CA -0.271 62.073 62.300 0.073 0.000 1.065 589 V CB 2.035 33.909 31.823 0.086 0.000 1.088 589 V HN 1.553 nan 8.190 nan 0.000 0.451 590 H N -0.160 118.959 119.070 0.081 0.000 2.996 590 H HA 0.596 5.153 4.556 0.001 0.000 0.368 590 H C 0.392 175.770 175.328 0.084 0.000 1.185 590 H CA -0.652 55.444 56.048 0.080 0.000 1.160 590 H CB 1.645 31.459 29.762 0.087 0.000 1.820 590 H HN 0.466 nan 8.280 nan 0.000 0.547 591 R N 1.489 121.535 120.500 -0.757 0.000 2.149 591 R HA -0.070 4.271 4.340 0.001 0.000 0.177 591 R C 0.329 176.288 176.300 -0.570 0.000 0.933 591 R CA 0.431 56.208 56.100 -0.538 0.000 1.168 591 R CB -0.842 29.247 30.300 -0.352 0.000 0.669 591 R HN 0.639 nan 8.270 nan 0.000 0.554 592 N N 2.789 121.191 118.700 -0.497 0.000 2.439 592 N HA 0.038 4.778 4.740 0.001 0.000 0.243 592 N C -1.780 173.802 175.510 0.120 0.000 1.088 592 N CA -1.255 51.724 53.050 -0.118 0.000 0.940 592 N CB 1.315 39.808 38.487 0.009 0.000 1.180 592 N HN 0.104 nan 8.380 nan 0.000 0.505 593 P HA -0.077 nan 4.420 nan 0.000 0.218 593 P C 1.127 178.536 177.300 0.182 0.000 1.152 593 P CA 0.718 64.008 63.100 0.317 0.000 0.826 593 P CB 0.186 32.017 31.700 0.218 0.000 0.790 594 A N 0.955 123.850 122.820 0.124 0.000 2.023 594 A HA -0.259 4.061 4.320 0.001 0.000 0.223 594 A C 2.385 180.021 177.584 0.086 0.000 1.180 594 A CA 1.865 53.954 52.037 0.086 0.000 0.659 594 A CB -1.082 17.961 19.000 0.071 0.000 0.817 594 A HN 0.182 nan 8.150 nan 0.000 0.466 595 R N -1.805 118.771 120.500 0.127 0.000 2.064 595 R HA 0.068 4.408 4.340 0.001 0.000 0.221 595 R C 2.165 178.511 176.300 0.077 0.000 1.136 595 R CA 0.964 57.136 56.100 0.120 0.000 0.980 595 R CB -0.833 29.575 30.300 0.179 0.000 0.876 595 R HN 0.488 nan 8.270 nan 0.000 0.437 596 L N 1.502 122.791 121.223 0.110 0.000 2.051 596 L HA -0.221 4.120 4.340 0.001 0.000 0.214 596 L C 2.307 179.136 176.870 -0.069 0.000 1.076 596 L CA 1.795 56.614 54.840 -0.034 0.000 0.758 596 L CB -0.525 41.451 42.059 -0.139 0.000 0.890 596 L HN 0.115 nan 8.230 nan 0.000 0.433 597 M N 0.139 119.734 119.600 -0.008 0.000 2.084 597 M HA -0.232 4.249 4.480 0.001 0.000 0.259 597 M C 2.256 178.521 176.300 -0.058 0.000 1.072 597 M CA 2.201 57.485 55.300 -0.027 0.000 1.107 597 M CB -0.804 31.803 32.600 0.012 0.000 1.299 597 M HN 0.377 nan 8.290 nan 0.000 0.413 598 E N -1.128 119.051 120.200 -0.034 0.000 2.333 598 E HA -0.167 4.183 4.350 0.001 0.000 0.200 598 E C 1.417 177.958 176.600 -0.098 0.000 1.010 598 E CA 1.815 58.188 56.400 -0.045 0.000 0.841 598 E CB -0.136 29.556 29.700 -0.013 0.000 0.757 598 E HN 0.659 nan 8.360 nan 0.000 0.508 599 T N -0.206 114.251 114.554 -0.162 0.000 2.781 599 T HA -0.000 4.350 4.350 0.001 0.000 0.252 599 T C 1.740 176.271 174.700 -0.282 0.000 1.039 599 T CA 0.978 62.901 62.100 -0.295 0.000 1.147 599 T CB -0.183 68.353 68.868 -0.554 0.000 0.865 599 T HN 0.132 nan 8.240 nan 0.000 0.423 600 L N 0.723 121.777 121.223 -0.281 0.000 2.127 600 L HA -0.134 4.206 4.340 0.001 0.000 0.211 600 L C 2.853 179.586 176.870 -0.228 0.000 1.089 600 L CA 1.392 56.043 54.840 -0.316 0.000 0.757 600 L CB -0.707 41.197 42.059 -0.258 0.000 0.899 600 L HN 0.183 nan 8.230 nan 0.000 0.434 601 R N 0.039 120.445 120.500 -0.157 0.000 2.064 601 R HA -0.093 4.247 4.340 0.001 0.000 0.228 601 R C 2.142 178.372 176.300 -0.116 0.000 1.144 601 R CA 1.929 57.962 56.100 -0.112 0.000 0.932 601 R CB -0.841 29.418 30.300 -0.069 0.000 0.833 601 R HN 0.315 nan 8.270 nan 0.000 0.429 602 T N 2.032 116.520 114.554 -0.110 0.000 3.155 602 T HA -0.019 4.332 4.350 0.001 0.000 0.264 602 T C 1.531 176.170 174.700 -0.102 0.000 1.160 602 T CA 0.453 62.497 62.100 -0.093 0.000 1.075 602 T CB 0.045 68.871 68.868 -0.071 0.000 0.921 602 T HN 0.058 nan 8.240 nan 0.000 0.533 603 L N 0.916 122.050 121.223 -0.149 0.000 2.145 603 L HA 0.207 4.548 4.340 0.001 0.000 0.201 603 L C 2.612 179.387 176.870 -0.158 0.000 1.075 603 L CA 1.296 56.036 54.840 -0.167 0.000 0.773 603 L CB -0.569 41.298 42.059 -0.320 0.000 0.936 603 L HN 0.174 nan 8.230 nan 0.000 0.451 604 R N 0.388 120.783 120.500 -0.174 0.000 2.057 604 R HA -0.130 4.211 4.340 0.001 0.000 0.229 604 R C 2.058 178.275 176.300 -0.140 0.000 1.136 604 R CA 0.952 56.959 56.100 -0.156 0.000 0.952 604 R CB -0.216 29.992 30.300 -0.153 0.000 0.848 604 R HN 0.269 nan 8.270 nan 0.000 0.430 605 R N 0.496 120.918 120.500 -0.131 0.000 2.388 605 R HA -0.163 4.178 4.340 0.001 0.000 0.233 605 R C 2.109 178.339 176.300 -0.116 0.000 1.156 605 R CA 1.289 57.311 56.100 -0.129 0.000 1.036 605 R CB -0.116 30.119 30.300 -0.108 0.000 0.847 605 R HN 0.325 nan 8.270 nan 0.000 0.483 606 K N -0.771 119.570 120.400 -0.098 0.000 2.172 606 K HA -0.010 4.310 4.320 0.001 0.000 0.203 606 K C 1.086 177.643 176.600 -0.071 0.000 1.040 606 K CA 1.335 57.579 56.287 -0.071 0.000 0.974 606 K CB 0.648 33.121 32.500 -0.046 0.000 0.857 606 K HN 0.231 nan 8.250 nan 0.000 0.464 607 G N 0.561 109.315 108.800 -0.078 0.000 3.288 607 G HA2 -0.109 3.851 3.960 0.001 0.000 0.219 607 G HA3 -0.109 3.851 3.960 0.001 0.000 0.219 607 G C 0.181 175.049 174.900 -0.053 0.000 0.944 607 G CA 0.110 45.170 45.100 -0.068 0.000 0.854 607 G HN 0.246 nan 8.290 nan 0.000 0.632 608 D N 0.597 120.961 120.400 -0.060 0.000 2.178 608 D HA 0.139 4.779 4.640 0.001 0.000 0.217 608 D C 1.456 177.699 176.300 -0.094 0.000 0.992 608 D CA 0.406 54.375 54.000 -0.051 0.000 0.895 608 D CB 0.211 40.994 40.800 -0.029 0.000 1.031 608 D HN 0.351 nan 8.370 nan 0.000 0.453 609 I N 2.388 122.858 120.570 -0.166 0.000 2.618 609 I HA -0.071 4.099 4.170 0.001 0.000 0.284 609 I C 0.920 176.960 176.117 -0.127 0.000 1.146 609 I CA -0.227 60.960 61.300 -0.188 0.000 1.425 609 I CB 0.219 38.063 38.000 -0.260 0.000 1.383 609 I HN -0.031 nan 8.210 nan 0.000 0.562 610 N N 8.653 127.299 118.700 -0.090 0.000 2.411 610 N HA -0.004 4.736 4.740 0.001 0.000 0.261 610 N C -1.672 173.779 175.510 -0.097 0.000 1.248 610 N CA -1.011 51.998 53.050 -0.069 0.000 0.885 610 N CB 1.254 39.724 38.487 -0.028 0.000 1.062 610 N HN 0.292 nan 8.380 nan 0.000 0.471 611 P HA -0.165 nan 4.420 nan 0.000 0.219 611 P C 0.811 178.003 177.300 -0.180 0.000 1.144 611 P CA 1.167 64.125 63.100 -0.236 0.000 0.806 611 P CB 0.401 31.869 31.700 -0.386 0.000 0.771 612 E N -0.463 119.685 120.200 -0.087 0.000 2.011 612 E HA -0.042 4.309 4.350 0.001 0.000 0.191 612 E C 0.103 176.649 176.600 -0.090 0.000 0.979 612 E CA 0.230 56.557 56.400 -0.123 0.000 0.822 612 E CB -0.195 29.506 29.700 0.001 0.000 0.782 612 E HN -0.229 nan 8.360 nan 0.000 0.459 613 V N 2.335 122.235 119.914 -0.023 0.000 2.931 613 V HA -0.168 3.952 4.120 0.001 0.000 0.290 613 V C 0.441 176.541 176.094 0.009 0.000 1.315 613 V CA 0.926 63.235 62.300 0.016 0.000 1.393 613 V CB 0.203 32.026 31.823 -0.000 0.000 0.887 613 V HN 0.423 nan 8.190 nan 0.000 0.520 614 S N 5.437 121.177 115.700 0.067 0.000 2.578 614 S HA 0.928 5.398 4.470 0.001 0.000 0.301 614 S C -0.833 173.766 174.600 -0.001 0.000 1.091 614 S CA -1.018 57.212 58.200 0.049 0.000 1.032 614 S CB 1.883 65.153 63.200 0.117 0.000 1.064 614 S HN 0.671 nan 8.310 nan 0.000 0.508 615 M N 1.803 121.381 119.600 -0.038 0.000 2.284 615 M HA 0.528 5.009 4.480 0.001 0.000 0.281 615 M C -2.050 174.214 176.300 -0.061 0.000 1.083 615 M CA -0.543 54.712 55.300 -0.075 0.000 0.965 615 M CB 1.709 34.264 32.600 -0.075 0.000 1.717 615 M HN 0.483 nan 8.290 nan 0.000 0.479 616 I N 1.691 122.213 120.570 -0.080 0.000 2.534 616 I HA 0.504 4.675 4.170 0.001 0.000 0.288 616 I C -0.502 175.597 176.117 -0.029 0.000 1.077 616 I CA -0.533 60.738 61.300 -0.048 0.000 1.051 616 I CB 2.082 40.048 38.000 -0.056 0.000 1.234 616 I HN 0.725 nan 8.210 nan 0.000 0.425 617 R N 4.246 124.745 120.500 -0.002 0.000 2.196 617 R HA 0.215 4.556 4.340 0.001 0.000 0.340 617 R C -0.544 175.769 176.300 0.023 0.000 1.043 617 R CA -0.217 55.895 56.100 0.019 0.000 0.883 617 R CB 0.533 30.852 30.300 0.031 0.000 1.078 617 R HN 0.650 nan 8.270 nan 0.000 0.462 618 D N 7.092 127.508 120.400 0.028 0.000 2.943 618 D HA 0.054 4.695 4.640 0.001 0.000 0.249 618 D C 1.608 177.936 176.300 0.045 0.000 1.231 618 D CA -0.150 53.867 54.000 0.028 0.000 0.979 618 D CB 0.246 41.057 40.800 0.019 0.000 1.053 618 D HN 0.621 nan 8.370 nan 0.000 0.504 619 I N 0.557 121.154 120.570 0.045 0.000 2.093 619 I HA -0.437 3.734 4.170 0.001 0.000 0.239 619 I C 2.392 178.541 176.117 0.055 0.000 1.026 619 I CA 1.252 62.583 61.300 0.053 0.000 1.295 619 I CB -0.589 37.438 38.000 0.045 0.000 1.007 619 I HN 0.167 nan 8.210 nan 0.000 0.401 620 R N 0.449 120.976 120.500 0.044 0.000 2.154 620 R HA -0.245 4.096 4.340 0.001 0.000 0.248 620 R C 1.989 178.319 176.300 0.050 0.000 1.155 620 R CA 1.992 58.117 56.100 0.041 0.000 0.979 620 R CB -0.464 29.854 30.300 0.030 0.000 0.869 620 R HN 0.454 nan 8.270 nan 0.000 0.452 621 E N 0.530 120.763 120.200 0.055 0.000 2.498 621 E HA 0.045 4.396 4.350 0.001 0.000 0.203 621 E C -0.630 176.032 176.600 0.103 0.000 1.013 621 E CA 0.002 56.443 56.400 0.068 0.000 0.927 621 E CB 0.289 30.020 29.700 0.052 0.000 1.012 621 E HN 0.069 nan 8.360 nan 0.000 0.482 622 K N 1.260 121.719 120.400 0.098 0.000 3.393 622 K HA -0.200 4.121 4.320 0.001 0.000 0.272 622 K C -1.029 175.654 176.600 0.138 0.000 1.004 622 K CA 0.925 57.283 56.287 0.119 0.000 0.764 622 K CB -1.435 31.149 32.500 0.140 0.000 1.373 622 K HN 0.292 nan 8.250 nan 0.000 0.458 623 E N 0.264 120.535 120.200 0.118 0.000 2.356 623 E HA 0.502 4.852 4.350 0.001 0.000 0.275 623 E C -1.343 175.319 176.600 0.102 0.000 0.904 623 E CA -1.143 55.338 56.400 0.135 0.000 0.757 623 E CB 2.048 31.850 29.700 0.170 0.000 1.232 623 E HN 0.076 nan 8.360 nan 0.000 0.442 624 L N 2.187 123.475 121.223 0.109 0.000 2.376 624 L HA 0.411 4.751 4.340 0.001 0.000 0.275 624 L C -1.456 175.455 176.870 0.069 0.000 0.987 624 L CA -0.281 54.597 54.840 0.064 0.000 0.828 624 L CB 1.097 43.192 42.059 0.061 0.000 1.249 624 L HN 0.374 nan 8.230 nan 0.000 0.409 625 K N 6.441 126.818 120.400 -0.039 0.000 2.358 625 K HA 0.591 4.912 4.320 0.001 0.000 0.260 625 K C -1.146 175.268 176.600 -0.310 0.000 0.956 625 K CA -0.372 55.801 56.287 -0.189 0.000 0.834 625 K CB 1.948 34.198 32.500 -0.416 0.000 1.102 625 K HN 0.486 nan 8.250 nan 0.000 0.431 626 I N 4.213 124.651 120.570 -0.221 0.000 2.355 626 I HA 0.354 4.524 4.170 0.001 0.000 0.288 626 I C -0.714 175.404 176.117 0.001 0.000 0.999 626 I CA -0.574 60.654 61.300 -0.119 0.000 1.163 626 I CB 0.755 38.745 38.000 -0.017 0.000 1.316 626 I HN 0.446 nan 8.210 nan 0.000 0.454 627 F N 3.651 123.626 119.950 0.041 0.000 2.482 627 F HA 0.302 4.830 4.527 0.001 0.000 0.331 627 F C 0.841 176.657 175.800 0.027 0.000 1.115 627 F CA -0.624 57.400 58.000 0.039 0.000 0.955 627 F CB 2.309 41.327 39.000 0.029 0.000 1.136 627 F HN 0.285 nan 8.300 nan 0.000 0.452 628 T N 1.322 116.021 114.554 0.240 0.000 3.442 628 T HA 0.060 4.410 4.350 0.001 0.000 0.295 628 T C -0.441 174.305 174.700 0.076 0.000 1.007 628 T CA -0.339 61.836 62.100 0.125 0.000 0.962 628 T CB -0.714 68.211 68.868 0.095 0.000 1.187 628 T HN 0.428 nan 8.240 nan 0.000 0.490 629 D N 2.088 122.508 120.400 0.033 0.000 2.414 629 D HA 0.325 4.966 4.640 0.001 0.000 0.242 629 D C 0.229 176.524 176.300 -0.008 0.000 1.129 629 D CA 0.025 53.994 54.000 -0.052 0.000 0.885 629 D CB 1.370 42.040 40.800 -0.216 0.000 1.198 629 D HN 0.436 nan 8.370 nan 0.000 0.437 630 A N 2.213 125.027 122.820 -0.010 0.000 2.807 630 A HA 0.540 4.860 4.320 0.001 0.000 0.307 630 A C 0.994 178.570 177.584 -0.014 0.000 1.532 630 A CA 0.468 52.512 52.037 0.011 0.000 1.215 630 A CB -0.143 18.871 19.000 0.023 0.000 1.127 630 A HN 0.647 nan 8.150 nan 0.000 0.543 631 G N 1.673 110.464 108.800 -0.015 0.000 3.847 631 G HA2 -0.033 3.927 3.960 0.001 0.000 0.189 631 G HA3 -0.033 3.927 3.960 0.001 0.000 0.189 631 G C 0.379 175.235 174.900 -0.074 0.000 0.907 631 G CA -0.711 44.356 45.100 -0.055 0.000 0.893 631 G HN 0.634 nan 8.290 nan 0.000 0.379 632 R N 0.694 121.167 120.500 -0.045 0.000 2.619 632 R HA 0.350 4.690 4.340 0.001 0.000 0.268 632 R C -0.218 176.084 176.300 0.004 0.000 0.990 632 R CA 0.224 56.307 56.100 -0.027 0.000 1.092 632 R CB 0.909 31.253 30.300 0.073 0.000 0.935 632 R HN 0.073 nan 8.270 nan 0.000 0.415 633 V N 4.334 124.224 119.914 -0.040 0.000 2.481 633 V HA 0.364 4.484 4.120 0.001 0.000 0.286 633 V C -0.670 175.480 176.094 0.093 0.000 1.042 633 V CA -0.384 61.891 62.300 -0.042 0.000 0.928 633 V CB 0.870 32.740 31.823 0.078 0.000 0.986 633 V HN 0.702 nan 8.190 nan 0.000 0.462 634 Y N 3.482 123.798 120.300 0.027 0.000 2.562 634 Y HA 0.876 5.427 4.550 0.001 0.000 0.345 634 Y C -0.448 175.427 175.900 -0.041 0.000 1.045 634 Y CA -1.732 56.379 58.100 0.017 0.000 1.028 634 Y CB 1.388 39.854 38.460 0.010 0.000 1.297 634 Y HN 0.675 nan 8.280 nan 0.000 0.463 635 R N 1.229 121.873 120.500 0.240 0.000 2.939 635 R HA 0.782 5.122 4.340 0.001 0.000 0.254 635 R C -3.211 173.192 176.300 0.172 0.000 1.123 635 R CA -2.043 54.130 56.100 0.122 0.000 1.020 635 R CB 2.399 32.750 30.300 0.084 0.000 1.206 635 R HN 0.518 nan 8.270 nan 0.000 0.491 636 P HA 0.429 nan 4.420 nan 0.000 0.303 636 P C -1.043 176.339 177.300 0.136 0.000 1.350 636 P CA -0.598 62.645 63.100 0.238 0.000 0.880 636 P CB 1.823 33.685 31.700 0.271 0.000 1.018 637 L N 3.313 124.644 121.223 0.179 0.000 2.354 637 L HA 0.514 4.855 4.340 0.001 0.000 0.264 637 L C 0.506 177.534 176.870 0.263 0.000 1.008 637 L CA -1.212 53.713 54.840 0.142 0.000 0.819 637 L CB 2.141 44.306 42.059 0.178 0.000 1.339 637 L HN 0.307 nan 8.230 nan 0.000 0.420 638 F N 1.935 121.942 119.950 0.096 0.000 2.450 638 F HA 0.301 4.828 4.527 0.001 0.000 0.339 638 F C 0.493 176.294 175.800 0.002 0.000 1.146 638 F CA -0.588 57.421 58.000 0.016 0.000 1.267 638 F CB 1.026 40.026 39.000 0.000 0.000 1.178 638 F HN 0.178 nan 8.300 nan 0.000 0.585 639 I N 2.594 123.215 120.570 0.085 0.000 2.412 639 I HA 0.187 4.357 4.170 0.001 0.000 0.296 639 I C -0.292 175.759 176.117 -0.111 0.000 0.987 639 I CA -0.675 60.547 61.300 -0.130 0.000 1.180 639 I CB 1.846 39.733 38.000 -0.188 0.000 1.340 639 I HN 0.241 nan 8.210 nan 0.000 0.455 640 V N 4.326 124.164 119.914 -0.127 0.000 2.802 640 V HA 0.149 4.270 4.120 0.001 0.000 0.350 640 V C 0.088 176.128 176.094 -0.091 0.000 1.233 640 V CA -0.608 61.642 62.300 -0.083 0.000 1.337 640 V CB -0.732 31.082 31.823 -0.014 0.000 1.497 640 V HN 0.624 nan 8.190 nan 0.000 0.616 641 E N 2.603 122.736 120.200 -0.111 0.000 2.465 641 E HA -0.036 4.314 4.350 0.001 0.000 0.260 641 E C 0.844 177.394 176.600 -0.084 0.000 0.980 641 E CA 0.086 56.434 56.400 -0.087 0.000 0.927 641 E CB 0.695 30.344 29.700 -0.086 0.000 0.934 641 E HN 0.629 nan 8.360 nan 0.000 0.459 642 D N 1.940 122.305 120.400 -0.058 0.000 2.348 642 D HA -0.110 4.530 4.640 0.001 0.000 0.248 642 D C -0.425 175.840 176.300 -0.058 0.000 1.142 642 D CA -0.092 53.868 54.000 -0.066 0.000 0.904 642 D CB -0.104 40.685 40.800 -0.018 0.000 0.901 642 D HN 0.155 nan 8.370 nan 0.000 0.523 643 D N 1.179 121.544 120.400 -0.058 0.000 2.423 643 D HA -0.071 4.569 4.640 0.001 0.000 0.263 643 D C 0.082 176.355 176.300 -0.046 0.000 1.255 643 D CA 0.556 54.530 54.000 -0.044 0.000 0.965 643 D CB -0.179 40.596 40.800 -0.043 0.000 0.933 643 D HN 0.273 nan 8.370 nan 0.000 0.507 644 E N 0.424 120.590 120.200 -0.057 0.000 2.042 644 E HA 0.085 4.435 4.350 0.001 0.000 0.260 644 E C 0.464 177.053 176.600 -0.019 0.000 0.975 644 E CA -0.194 56.176 56.400 -0.050 0.000 0.799 644 E CB 0.690 30.337 29.700 -0.089 0.000 1.131 644 E HN 0.040 nan 8.360 nan 0.000 0.423 645 S N 2.636 118.329 115.700 -0.011 0.000 2.720 645 S HA 0.060 4.531 4.470 0.001 0.000 0.222 645 S C 0.992 175.596 174.600 0.007 0.000 0.958 645 S CA -0.032 58.168 58.200 0.001 0.000 0.943 645 S CB -0.199 63.001 63.200 -0.001 0.000 0.779 645 S HN 0.433 nan 8.310 nan 0.000 0.526 646 L N 0.673 121.902 121.223 0.009 0.000 3.313 646 L HA 0.592 4.932 4.340 0.001 0.000 0.320 646 L C 0.816 177.710 176.870 0.040 0.000 1.304 646 L CA -0.285 54.565 54.840 0.018 0.000 0.920 646 L CB 0.422 42.487 42.059 0.009 0.000 1.357 646 L HN 0.493 nan 8.230 nan 0.000 0.602 647 G N -0.882 107.952 108.800 0.056 0.000 2.439 647 G HA2 -0.000 3.960 3.960 0.001 0.000 0.186 647 G HA3 -0.000 3.960 3.960 0.001 0.000 0.186 647 G C -0.646 174.344 174.900 0.150 0.000 1.260 647 G CA -0.132 45.040 45.100 0.121 0.000 1.020 647 G HN 0.128 nan 8.290 nan 0.000 0.470 648 H N 0.927 119.995 119.070 -0.004 0.000 3.232 648 H HA 0.693 5.249 4.556 0.001 0.000 0.162 648 H C 0.273 175.599 175.328 -0.004 0.000 1.531 648 H CA 0.367 56.416 56.048 0.001 0.000 1.665 648 H CB -0.377 29.385 29.762 -0.000 0.000 1.218 648 H HN 0.538 nan 8.280 nan 0.000 0.888 649 K N -0.237 120.007 120.400 -0.259 0.000 2.118 649 K HA 0.308 4.628 4.320 0.001 0.000 0.264 649 K C -0.846 175.424 176.600 -0.551 0.000 1.000 649 K CA -0.256 55.875 56.287 -0.261 0.000 0.929 649 K CB 0.767 33.236 32.500 -0.052 0.000 1.021 649 K HN 0.663 nan 8.250 nan 0.000 0.463 650 E N 2.464 122.470 120.200 -0.322 0.000 2.400 650 E HA 0.174 4.524 4.350 0.001 0.000 0.285 650 E C -1.617 174.877 176.600 -0.178 0.000 1.005 650 E CA -0.472 55.749 56.400 -0.298 0.000 0.816 650 E CB 0.610 30.109 29.700 -0.335 0.000 1.220 650 E HN 0.482 nan 8.360 nan 0.000 0.426 651 L N 4.880 126.013 121.223 -0.150 0.000 2.678 651 L HA -0.056 4.284 4.340 0.001 0.000 0.285 651 L C 1.587 178.354 176.870 -0.172 0.000 1.233 651 L CA 0.161 54.911 54.840 -0.149 0.000 0.920 651 L CB 0.289 42.247 42.059 -0.168 0.000 1.176 651 L HN 0.602 nan 8.230 nan 0.000 0.495 652 K N 2.341 122.631 120.400 -0.183 0.000 2.152 652 K HA -0.059 4.261 4.320 0.001 0.000 0.206 652 K C 0.419 176.904 176.600 -0.191 0.000 1.048 652 K CA 0.746 56.934 56.287 -0.164 0.000 0.933 652 K CB -0.077 32.318 32.500 -0.175 0.000 0.721 652 K HN 0.393 nan 8.250 nan 0.000 0.447 653 V N 3.050 122.752 119.914 -0.354 0.000 2.686 653 V HA 0.058 4.179 4.120 0.001 0.000 0.295 653 V C 0.575 176.617 176.094 -0.087 0.000 1.055 653 V CA -0.113 61.951 62.300 -0.392 0.000 1.050 653 V CB 1.045 32.437 31.823 -0.718 0.000 0.984 653 V HN 0.167 nan 8.190 nan 0.000 0.482 654 R N 2.472 123.137 120.500 0.276 0.000 2.795 654 R HA 0.350 4.691 4.340 0.001 0.000 0.275 654 R C 0.782 177.134 176.300 0.086 0.000 0.981 654 R CA -1.095 55.072 56.100 0.113 0.000 0.917 654 R CB 1.146 31.482 30.300 0.061 0.000 1.202 654 R HN 0.640 nan 8.270 nan 0.000 0.469 655 K N 0.787 121.206 120.400 0.031 0.000 2.374 655 K HA -0.187 4.133 4.320 0.001 0.000 0.202 655 K C 1.467 178.089 176.600 0.037 0.000 1.044 655 K CA 2.101 58.410 56.287 0.037 0.000 0.933 655 K CB -0.242 32.271 32.500 0.021 0.000 0.745 655 K HN 0.756 nan 8.250 nan 0.000 0.474 656 G N -0.439 108.359 108.800 -0.004 0.000 2.456 656 G HA2 -0.199 3.762 3.960 0.001 0.000 0.213 656 G HA3 -0.199 3.762 3.960 0.001 0.000 0.213 656 G C 0.930 175.844 174.900 0.024 0.000 1.215 656 G CA 0.583 45.656 45.100 -0.046 0.000 0.805 656 G HN 0.325 nan 8.290 nan 0.000 0.537 657 H N 0.763 119.880 119.070 0.079 0.000 2.304 657 H HA -0.171 4.385 4.556 0.001 0.000 0.287 657 H C 2.638 178.133 175.328 0.280 0.000 1.112 657 H CA 1.835 58.021 56.048 0.229 0.000 1.200 657 H CB -0.476 29.369 29.762 0.139 0.000 1.349 657 H HN 0.288 nan 8.280 nan 0.000 0.477 658 I N 0.481 121.222 120.570 0.284 0.000 2.069 658 I HA -0.308 3.862 4.170 0.001 0.000 0.237 658 I C 2.780 179.016 176.117 0.198 0.000 1.053 658 I CA 1.394 62.820 61.300 0.210 0.000 1.311 658 I CB -0.412 37.678 38.000 0.151 0.000 1.030 658 I HN 0.221 nan 8.210 nan 0.000 0.398 659 A N -0.230 122.677 122.820 0.144 0.000 2.186 659 A HA -0.243 4.077 4.320 0.001 0.000 0.219 659 A C 2.247 179.908 177.584 0.128 0.000 1.159 659 A CA 1.570 53.675 52.037 0.113 0.000 0.680 659 A CB -0.536 18.502 19.000 0.063 0.000 0.787 659 A HN 0.417 nan 8.150 nan 0.000 0.467 660 K N -0.840 119.669 120.400 0.181 0.000 2.361 660 K HA 0.228 4.548 4.320 0.001 0.000 0.196 660 K C 1.440 178.271 176.600 0.386 0.000 1.039 660 K CA 0.275 56.674 56.287 0.188 0.000 1.001 660 K CB -0.076 32.456 32.500 0.054 0.000 0.795 660 K HN 0.498 nan 8.250 nan 0.000 0.495 661 L N -0.021 121.438 121.223 0.393 0.000 2.200 661 L HA 0.064 4.405 4.340 0.001 0.000 0.200 661 L C 2.205 179.215 176.870 0.233 0.000 1.072 661 L CA 0.508 55.538 54.840 0.316 0.000 0.787 661 L CB -0.124 42.058 42.059 0.205 0.000 0.957 661 L HN 0.137 nan 8.230 nan 0.000 0.459 662 M N -0.337 119.386 119.600 0.205 0.000 2.446 662 M HA -0.153 4.328 4.480 0.001 0.000 0.263 662 M C 2.248 178.657 176.300 0.182 0.000 1.066 662 M CA 1.363 56.771 55.300 0.181 0.000 1.087 662 M CB -0.423 32.270 32.600 0.156 0.000 1.406 662 M HN 0.320 nan 8.290 nan 0.000 0.459 663 A N -0.143 122.781 122.820 0.172 0.000 1.968 663 A HA -0.074 4.247 4.320 0.001 0.000 0.217 663 A C 2.121 179.818 177.584 0.188 0.000 1.169 663 A CA 1.635 53.766 52.037 0.156 0.000 0.638 663 A CB -0.721 18.347 19.000 0.113 0.000 0.812 663 A HN 0.410 nan 8.150 nan 0.000 0.446 664 T N -0.303 114.365 114.554 0.190 0.000 3.067 664 T HA -0.009 4.341 4.350 0.001 0.000 0.261 664 T C 1.596 176.388 174.700 0.153 0.000 1.110 664 T CA 1.049 63.252 62.100 0.172 0.000 1.113 664 T CB -0.013 68.970 68.868 0.191 0.000 0.917 664 T HN 0.571 nan 8.240 nan 0.000 0.499 665 E N 0.279 120.581 120.200 0.170 0.000 2.072 665 E HA -0.080 4.271 4.350 0.001 0.000 0.190 665 E C 1.713 178.394 176.600 0.135 0.000 0.982 665 E CA 0.725 57.212 56.400 0.144 0.000 0.803 665 E CB -0.161 29.634 29.700 0.158 0.000 0.755 665 E HN 0.494 nan 8.360 nan 0.000 0.453 666 Y N 1.941 122.276 120.300 0.058 0.000 2.403 666 Y HA -0.130 4.420 4.550 0.001 0.000 0.291 666 Y C 1.177 177.098 175.900 0.034 0.000 1.143 666 Y CA 1.161 59.286 58.100 0.042 0.000 1.257 666 Y CB 0.170 38.655 38.460 0.041 0.000 0.984 666 Y HN -0.056 nan 8.280 nan 0.000 0.550 667 Q N 1.734 121.565 119.800 0.051 0.000 2.903 667 Q HA 0.060 4.400 4.340 0.001 0.000 0.295 667 Q C -0.812 175.158 176.000 -0.051 0.000 1.157 667 Q CA 0.231 56.029 55.803 -0.009 0.000 0.930 667 Q CB -0.169 28.605 28.738 0.061 0.000 1.571 667 Q HN 0.430 nan 8.270 nan 0.000 0.440 679 Y N 2.927 123.280 120.300 0.089 0.000 2.681 679 Y HA 0.369 4.920 4.550 0.001 0.000 0.347 679 Y C 0.067 176.045 175.900 0.130 0.000 1.029 679 Y CA -0.628 57.529 58.100 0.095 0.000 1.279 679 Y CB 0.501 39.017 38.460 0.093 0.000 1.096 679 Y HN 0.211 nan 8.280 nan 0.000 0.580 680 T N 0.054 114.662 114.554 0.090 0.000 2.973 680 T HA 0.053 4.403 4.350 0.001 0.000 0.308 680 T C 1.245 175.988 174.700 0.070 0.000 1.177 680 T CA -0.293 61.867 62.100 0.099 0.000 0.938 680 T CB 0.294 69.265 68.868 0.173 0.000 1.791 680 T HN 0.708 nan 8.240 nan 0.000 0.581 681 W N 0.543 121.847 121.300 0.008 0.000 2.381 681 W HA -0.143 4.518 4.660 0.001 0.000 0.321 681 W C 2.458 178.966 176.519 -0.019 0.000 1.196 681 W CA 1.424 58.781 57.345 0.021 0.000 1.304 681 W CB -0.699 28.847 29.460 0.142 0.000 1.166 681 W HN 0.635 nan 8.180 nan 0.000 0.473 682 S N 0.857 116.629 115.700 0.119 0.000 2.408 682 S HA -0.349 4.122 4.470 0.001 0.000 0.241 682 S C 1.898 176.422 174.600 -0.126 0.000 1.080 682 S CA 2.906 61.097 58.200 -0.016 0.000 1.109 682 S CB -0.793 62.452 63.200 0.075 0.000 0.966 682 S HN 0.497 nan 8.310 nan 0.000 0.449 683 S N 1.957 117.612 115.700 -0.076 0.000 2.343 683 S HA -0.022 4.449 4.470 0.001 0.000 0.219 683 S C 1.774 176.254 174.600 -0.199 0.000 1.033 683 S CA 1.258 59.435 58.200 -0.040 0.000 1.014 683 S CB -0.920 62.374 63.200 0.158 0.000 0.915 683 S HN 0.472 nan 8.310 nan 0.000 0.435 684 L N 0.646 121.631 121.223 -0.396 0.000 2.456 684 L HA -0.101 4.239 4.340 0.001 0.000 0.225 684 L C 2.308 178.827 176.870 -0.585 0.000 1.142 684 L CA 0.620 55.148 54.840 -0.520 0.000 0.796 684 L CB -0.592 41.096 42.059 -0.619 0.000 0.920 684 L HN 0.315 nan 8.230 nan 0.000 0.446 685 L N -0.696 120.190 121.223 -0.562 0.000 2.296 685 L HA 0.080 4.421 4.340 0.001 0.000 0.193 685 L C 2.035 178.720 176.870 -0.308 0.000 1.123 685 L CA 1.296 55.824 54.840 -0.520 0.000 0.805 685 L CB -0.694 41.020 42.059 -0.574 0.000 1.004 685 L HN 0.081 nan 8.230 nan 0.000 0.478 686 N N 0.689 119.258 118.700 -0.219 0.000 2.417 686 N HA -0.179 4.561 4.740 0.001 0.000 0.187 686 N C 0.331 175.778 175.510 -0.104 0.000 1.027 686 N CA 0.954 53.924 53.050 -0.134 0.000 0.891 686 N CB -0.261 38.180 38.487 -0.077 0.000 0.956 686 N HN 0.578 nan 8.380 nan 0.000 0.442 687 E N 0.437 120.567 120.200 -0.116 0.000 2.354 687 E HA 0.170 4.521 4.350 0.001 0.000 0.252 687 E C 0.189 176.710 176.600 -0.132 0.000 1.330 687 E CA -0.501 55.853 56.400 -0.078 0.000 1.658 687 E CB -0.290 29.402 29.700 -0.014 0.000 1.460 687 E HN 0.183 nan 8.360 nan 0.000 0.435 688 G N 1.478 110.193 108.800 -0.141 0.000 2.263 688 G HA2 -0.262 3.699 3.960 0.001 0.000 0.266 688 G HA3 -0.262 3.699 3.960 0.001 0.000 0.266 688 G C 0.566 175.360 174.900 -0.176 0.000 0.817 688 G CA 0.629 45.640 45.100 -0.149 0.000 1.111 688 G HN 0.433 nan 8.290 nan 0.000 0.445 689 L N -1.368 119.712 121.223 -0.238 0.000 2.577 689 L HA 0.303 4.644 4.340 0.001 0.000 0.225 689 L C 0.513 177.261 176.870 -0.203 0.000 1.053 689 L CA 0.257 54.927 54.840 -0.283 0.000 0.866 689 L CB 0.558 42.359 42.059 -0.429 0.000 1.132 689 L HN 0.190 nan 8.230 nan 0.000 0.486 690 V N -0.331 119.449 119.914 -0.223 0.000 2.808 690 V HA 0.349 4.470 4.120 0.001 0.000 0.308 690 V C -0.994 175.004 176.094 -0.161 0.000 1.099 690 V CA -0.776 61.450 62.300 -0.123 0.000 0.920 690 V CB 2.793 34.489 31.823 -0.212 0.000 1.014 690 V HN 0.036 nan 8.190 nan 0.000 0.425 691 E N 1.712 121.915 120.200 0.005 0.000 2.299 691 E HA 0.507 4.857 4.350 0.001 0.000 0.265 691 E C -1.601 175.090 176.600 0.152 0.000 0.911 691 E CA -0.796 55.600 56.400 -0.006 0.000 0.789 691 E CB 2.174 31.929 29.700 0.090 0.000 1.246 691 E HN 0.725 nan 8.360 nan 0.000 0.427 692 Y N 3.028 123.301 120.300 -0.044 0.000 2.676 692 Y HA 0.293 4.843 4.550 0.001 0.000 0.338 692 Y C -0.086 175.768 175.900 -0.077 0.000 1.057 692 Y CA -0.788 57.261 58.100 -0.084 0.000 1.314 692 Y CB 0.390 38.608 38.460 -0.404 0.000 1.164 692 Y HN 0.239 nan 8.280 nan 0.000 0.509 693 I N 4.765 125.432 120.570 0.162 0.000 2.312 693 I HA 0.056 4.227 4.170 0.001 0.000 0.291 693 I C 0.352 176.566 176.117 0.162 0.000 1.031 693 I CA -0.526 60.826 61.300 0.088 0.000 1.293 693 I CB 0.457 38.449 38.000 -0.013 0.000 1.403 693 I HN 0.594 nan 8.210 nan 0.000 0.484 694 D N 6.039 126.538 120.400 0.166 0.000 2.478 694 D HA 0.200 4.841 4.640 0.001 0.000 0.274 694 D C 1.078 177.490 176.300 0.187 0.000 1.234 694 D CA -0.460 53.671 54.000 0.218 0.000 1.069 694 D CB 0.911 41.845 40.800 0.223 0.000 1.113 694 D HN 0.451 nan 8.370 nan 0.000 0.571 695 A N -0.332 122.615 122.820 0.212 0.000 1.877 695 A HA -0.213 4.107 4.320 0.001 0.000 0.216 695 A C 2.060 179.787 177.584 0.239 0.000 1.186 695 A CA 2.079 54.258 52.037 0.236 0.000 0.620 695 A CB -0.898 18.273 19.000 0.284 0.000 0.822 695 A HN 0.641 nan 8.150 nan 0.000 0.443 696 E N 0.235 120.561 120.200 0.211 0.000 2.007 696 E HA -0.223 4.128 4.350 0.001 0.000 0.203 696 E C 1.926 178.591 176.600 0.109 0.000 1.020 696 E CA 2.025 58.520 56.400 0.159 0.000 0.845 696 E CB -0.475 29.321 29.700 0.160 0.000 0.779 696 E HN 0.663 nan 8.360 nan 0.000 0.466 697 E N -0.015 120.234 120.200 0.081 0.000 2.114 697 E HA -0.292 4.059 4.350 0.001 0.000 0.199 697 E C 2.144 178.759 176.600 0.026 0.000 1.008 697 E CA 1.353 57.774 56.400 0.034 0.000 0.810 697 E CB -0.205 29.508 29.700 0.020 0.000 0.739 697 E HN 0.387 nan 8.360 nan 0.000 0.456 698 E N 0.612 120.840 120.200 0.047 0.000 2.136 698 E HA -0.290 4.060 4.350 0.001 0.000 0.202 698 E C 1.981 178.600 176.600 0.030 0.000 1.019 698 E CA 1.296 57.712 56.400 0.027 0.000 0.819 698 E CB 0.080 29.825 29.700 0.076 0.000 0.739 698 E HN 0.144 nan 8.360 nan 0.000 0.458 699 E N 0.241 120.491 120.200 0.083 0.000 2.136 699 E HA -0.188 4.162 4.350 0.001 0.000 0.202 699 E C 1.439 178.061 176.600 0.036 0.000 1.019 699 E CA 1.554 58.005 56.400 0.085 0.000 0.819 699 E CB -0.280 29.500 29.700 0.134 0.000 0.739 699 E HN 0.286 nan 8.360 nan 0.000 0.458 700 S N 0.309 116.024 115.700 0.024 0.000 2.945 700 S HA 0.421 4.892 4.470 0.001 0.000 0.227 700 S C 0.585 175.194 174.600 0.015 0.000 1.353 700 S CA -0.620 57.590 58.200 0.015 0.000 1.236 700 S CB -1.064 62.147 63.200 0.017 0.000 1.069 700 S HN 0.284 nan 8.310 nan 0.000 0.509 701 I N -2.680 117.891 120.570 0.002 0.000 3.263 701 I HA 0.805 4.975 4.170 0.001 0.000 0.314 701 I C -2.100 174.016 176.117 -0.001 0.000 1.269 701 I CA -1.746 59.569 61.300 0.024 0.000 0.942 701 I CB 1.743 39.728 38.000 -0.025 0.000 1.305 701 I HN 0.179 nan 8.210 nan 0.000 0.474 702 L N 2.685 123.928 121.223 0.033 0.000 2.401 702 L HA 0.755 5.096 4.340 0.001 0.000 0.266 702 L C -1.520 175.382 176.870 0.052 0.000 0.991 702 L CA -0.392 54.417 54.840 -0.051 0.000 0.818 702 L CB 1.863 43.814 42.059 -0.179 0.000 1.321 702 L HN 0.619 nan 8.230 nan 0.000 0.413 703 I N 3.402 123.990 120.570 0.030 0.000 2.689 703 I HA 0.779 4.949 4.170 0.001 0.000 0.299 703 I C -0.425 175.853 176.117 0.268 0.000 1.059 703 I CA -0.932 60.465 61.300 0.163 0.000 1.055 703 I CB 2.139 40.185 38.000 0.077 0.000 1.243 703 I HN 0.770 nan 8.210 nan 0.000 0.425 704 A N 4.379 127.415 122.820 0.361 0.000 2.317 704 A HA 0.593 4.913 4.320 0.001 0.000 0.327 704 A C 0.322 177.986 177.584 0.132 0.000 1.178 704 A CA -0.500 51.723 52.037 0.311 0.000 0.817 704 A CB 1.376 20.449 19.000 0.122 0.000 1.189 704 A HN 0.792 nan 8.150 nan 0.000 0.489 705 M N 1.042 120.693 119.600 0.085 0.000 2.150 705 M HA -0.029 4.451 4.480 0.001 0.000 0.260 705 M C 0.935 177.245 176.300 0.017 0.000 1.088 705 M CA 1.876 57.193 55.300 0.027 0.000 1.108 705 M CB -0.352 32.238 32.600 -0.017 0.000 1.263 705 M HN 0.717 nan 8.290 nan 0.000 0.431 706 Q N 1.240 121.045 119.800 0.008 0.000 2.294 706 Q HA 0.167 4.508 4.340 0.001 0.000 0.257 706 Q C -1.878 174.118 176.000 -0.007 0.000 0.955 706 Q CA -1.637 54.175 55.803 0.014 0.000 0.936 706 Q CB 0.861 29.608 28.738 0.015 0.000 1.188 706 Q HN 0.297 nan 8.270 nan 0.000 0.420 707 P HA -0.292 nan 4.420 nan 0.000 0.213 707 P C 0.656 177.923 177.300 -0.055 0.000 1.170 707 P CA 1.656 64.764 63.100 0.014 0.000 0.898 707 P CB 0.289 32.054 31.700 0.109 0.000 0.787 708 E N 0.775 120.956 120.200 -0.031 0.000 1.949 708 E HA -0.213 4.138 4.350 0.001 0.000 0.205 708 E C 1.811 178.339 176.600 -0.119 0.000 0.957 708 E CA 1.025 57.393 56.400 -0.054 0.000 0.886 708 E CB -1.594 28.096 29.700 -0.017 0.000 0.824 708 E HN 0.059 nan 8.360 nan 0.000 0.555 709 D N 0.574 120.923 120.400 -0.085 0.000 2.407 709 D HA -0.198 4.442 4.640 0.001 0.000 0.197 709 D C 1.206 177.353 176.300 -0.255 0.000 1.024 709 D CA 1.241 55.179 54.000 -0.104 0.000 0.924 709 D CB -0.175 40.614 40.800 -0.019 0.000 0.888 709 D HN 0.283 nan 8.370 nan 0.000 0.456 710 L N 0.534 121.582 121.223 -0.292 0.000 3.084 710 L HA 0.171 4.511 4.340 0.001 0.000 0.238 710 L C 1.112 177.582 176.870 -0.666 0.000 1.327 710 L CA -0.126 54.448 54.840 -0.442 0.000 1.094 710 L CB 0.428 42.385 42.059 -0.170 0.000 1.477 710 L HN -0.207 nan 8.230 nan 0.000 0.514 711 E N -0.606 119.142 120.200 -0.753 0.000 3.566 711 E HA 0.170 4.520 4.350 0.001 0.000 0.241 711 E C -1.768 174.637 176.600 -0.325 0.000 1.208 711 E CA 0.082 56.233 56.400 -0.416 0.000 1.773 711 E CB -0.356 29.265 29.700 -0.132 0.000 1.818 711 E HN 0.194 nan 8.360 nan 0.000 0.865 712 P HA 0.145 nan 4.420 nan 0.000 0.321 712 P C -0.119 177.115 177.300 -0.109 0.000 1.338 712 P CA 0.298 63.183 63.100 -0.358 0.000 0.764 712 P CB 0.577 32.149 31.700 -0.214 0.000 1.641 713 A N -1.267 121.522 122.820 -0.051 0.000 3.120 713 A HA 0.533 4.853 4.320 0.001 0.000 0.213 713 A C -0.659 176.952 177.584 0.045 0.000 1.202 713 A CA -0.361 51.699 52.037 0.039 0.000 0.876 713 A CB 0.477 19.460 19.000 -0.028 0.000 1.456 713 A HN 0.516 nan 8.150 nan 0.000 0.530 714 E N -0.746 119.457 120.200 0.005 0.000 2.325 714 E HA 0.559 4.910 4.350 0.001 0.000 0.248 714 E C -0.577 176.021 176.600 -0.004 0.000 0.912 714 E CA -0.470 55.929 56.400 -0.002 0.000 0.782 714 E CB 1.193 30.879 29.700 -0.023 0.000 1.264 714 E HN 0.891 nan 8.360 nan 0.000 0.417 723 V N 1.906 121.835 119.914 0.025 0.000 3.385 723 V HA 0.223 4.343 4.120 0.001 0.000 0.301 723 V C 0.453 176.565 176.094 0.031 0.000 1.082 723 V CA -0.240 62.078 62.300 0.030 0.000 1.085 723 V CB 0.956 32.798 31.823 0.032 0.000 1.152 723 V HN 0.331 nan 8.190 nan 0.000 0.465 724 D N 2.504 122.926 120.400 0.036 0.000 2.371 724 D HA 0.145 4.785 4.640 0.001 0.000 0.256 724 D C -1.337 174.985 176.300 0.036 0.000 1.193 724 D CA -1.328 52.694 54.000 0.038 0.000 0.881 724 D CB 1.684 42.511 40.800 0.045 0.000 1.143 724 D HN 0.387 nan 8.370 nan 0.000 0.473 725 P HA 0.000 nan 4.420 nan 0.000 0.239 725 P C 0.352 177.671 177.300 0.032 0.000 1.184 725 P CA 0.312 63.430 63.100 0.029 0.000 0.760 725 P CB 0.556 32.270 31.700 0.024 0.000 0.884 726 A N -0.530 122.312 122.820 0.037 0.000 2.026 726 A HA 0.147 4.468 4.320 0.001 0.000 0.198 726 A C 1.198 178.814 177.584 0.052 0.000 1.390 726 A CA 0.060 52.121 52.037 0.040 0.000 0.915 726 A CB -0.141 18.880 19.000 0.036 0.000 0.974 726 A HN 0.044 nan 8.150 nan 0.000 0.477 727 K N 1.097 121.532 120.400 0.058 0.000 2.274 727 K HA 0.074 4.395 4.320 0.001 0.000 0.255 727 K C 0.903 177.546 176.600 0.071 0.000 1.005 727 K CA 0.202 56.532 56.287 0.073 0.000 0.864 727 K CB 0.301 32.845 32.500 0.074 0.000 1.013 727 K HN 0.606 nan 8.250 nan 0.000 0.519 728 R N 0.532 121.081 120.500 0.082 0.000 2.915 728 R HA 0.180 4.520 4.340 0.001 0.000 0.148 728 R C 0.134 176.471 176.300 0.060 0.000 0.743 728 R CA 0.089 56.233 56.100 0.073 0.000 1.502 728 R CB -0.101 30.248 30.300 0.082 0.000 0.627 728 R HN 0.459 nan 8.270 nan 0.000 0.563 729 I N 0.711 121.314 120.570 0.056 0.000 2.603 729 I HA 0.316 4.486 4.170 0.001 0.000 0.276 729 I C -0.539 175.607 176.117 0.048 0.000 1.133 729 I CA -0.445 60.884 61.300 0.049 0.000 1.070 729 I CB 1.714 39.739 38.000 0.042 0.000 1.215 729 I HN 0.486 nan 8.210 nan 0.000 0.487 730 R N 2.802 123.332 120.500 0.050 0.000 2.500 730 R HA 0.625 4.966 4.340 0.001 0.000 0.277 730 R C 0.356 176.686 176.300 0.049 0.000 1.026 730 R CA -0.555 55.574 56.100 0.048 0.000 1.058 730 R CB 2.089 32.419 30.300 0.050 0.000 1.078 730 R HN 0.273 nan 8.270 nan 0.000 0.509 731 V N 0.268 120.214 119.914 0.052 0.000 5.164 731 V HA 0.136 4.257 4.120 0.001 0.000 0.266 731 V C 0.631 176.755 176.094 0.050 0.000 1.222 731 V CA 0.102 62.439 62.300 0.062 0.000 0.667 731 V CB 0.570 32.438 31.823 0.075 0.000 1.200 731 V HN 0.770 nan 8.190 nan 0.000 0.347 732 S N -0.839 114.883 115.700 0.037 0.000 2.900 732 S HA 0.490 4.961 4.470 0.001 0.000 0.320 732 S C -0.503 174.110 174.600 0.022 0.000 1.130 732 S CA -0.385 57.753 58.200 -0.103 0.000 0.863 732 S CB 1.131 63.986 63.200 -0.575 0.000 1.295 732 S HN 0.875 nan 8.310 nan 0.000 0.596 733 H N 0.286 119.295 119.070 -0.102 0.000 2.591 733 H HA 0.370 4.927 4.556 0.001 0.000 0.241 733 H C -0.144 175.253 175.328 0.115 0.000 1.292 733 H CA -0.407 55.709 56.048 0.114 0.000 1.022 733 H CB -0.843 28.939 29.762 0.033 0.000 1.875 733 H HN 0.575 nan 8.280 nan 0.000 0.570 734 H N 0.880 119.985 119.070 0.058 0.000 2.566 734 H HA 0.181 4.738 4.556 0.001 0.000 0.285 734 H C 0.684 176.061 175.328 0.081 0.000 1.041 734 H CA 1.000 57.060 56.048 0.020 0.000 1.207 734 H CB 0.110 29.866 29.762 -0.009 0.000 1.353 734 H HN 0.666 nan 8.280 nan 0.000 0.604 735 A N -0.574 122.408 122.820 0.270 0.000 2.530 735 A HA 0.589 4.909 4.320 0.001 0.000 0.288 735 A C 0.116 177.958 177.584 0.430 0.000 1.172 735 A CA -0.499 51.656 52.037 0.197 0.000 0.733 735 A CB 1.439 20.430 19.000 -0.015 0.000 1.320 735 A HN 0.125 nan 8.150 nan 0.000 0.419 736 T N 0.629 115.369 114.554 0.310 0.000 4.047 736 T HA 0.188 4.538 4.350 0.001 0.000 0.286 736 T C 0.020 174.912 174.700 0.320 0.000 0.945 736 T CA 0.453 62.841 62.100 0.479 0.000 1.079 736 T CB -0.225 68.826 68.868 0.306 0.000 1.094 736 T HN 0.642 nan 8.240 nan 0.000 0.492 737 T N 0.280 114.915 114.554 0.136 0.000 3.069 737 T HA 0.290 4.641 4.350 0.001 0.000 0.252 737 T C 0.539 175.288 174.700 0.082 0.000 1.053 737 T CA -0.379 61.756 62.100 0.057 0.000 0.964 737 T CB -0.317 68.529 68.868 -0.037 0.000 1.005 737 T HN 0.329 nan 8.240 nan 0.000 0.532 738 F N 3.689 123.666 119.950 0.045 0.000 2.579 738 F HA 0.047 4.575 4.527 0.001 0.000 0.397 738 F C 1.904 177.719 175.800 0.024 0.000 1.027 738 F CA 0.139 58.167 58.000 0.047 0.000 1.217 738 F CB -0.083 38.944 39.000 0.045 0.000 0.986 738 F HN 0.130 nan 8.300 nan 0.000 0.551 739 T N -1.597 113.083 114.554 0.210 0.000 2.969 739 T HA 0.238 4.589 4.350 0.001 0.000 0.250 739 T C 0.024 174.594 174.700 -0.217 0.000 1.021 739 T CA 0.117 62.238 62.100 0.035 0.000 1.003 739 T CB -0.079 68.862 68.868 0.122 0.000 1.040 739 T HN 0.538 nan 8.240 nan 0.000 0.492 740 H N -0.811 118.339 119.070 0.134 0.000 2.985 740 H HA 0.780 5.336 4.556 0.001 0.000 0.360 740 H C -1.259 174.166 175.328 0.162 0.000 1.221 740 H CA -1.083 55.044 56.048 0.132 0.000 1.121 740 H CB 1.651 31.475 29.762 0.102 0.000 1.854 740 H HN 0.288 nan 8.280 nan 0.000 0.551 741 C N 0.868 120.339 119.300 0.285 0.000 2.898 741 C HA 0.478 4.939 4.460 0.001 0.000 0.304 741 C C -0.630 174.399 174.990 0.065 0.000 1.237 741 C CA -0.456 58.679 59.018 0.195 0.000 1.529 741 C CB 1.205 29.078 27.740 0.221 0.000 2.021 741 C HN 0.925 nan 8.230 nan 0.000 0.474 742 E N 2.950 123.160 120.200 0.017 0.000 2.223 742 E HA 0.257 4.607 4.350 0.001 0.000 0.282 742 E C 1.318 177.768 176.600 -0.251 0.000 1.046 742 E CA -0.258 56.103 56.400 -0.064 0.000 0.857 742 E CB 0.484 30.207 29.700 0.039 0.000 1.055 742 E HN 0.483 nan 8.360 nan 0.000 0.409 743 I N 2.515 122.816 120.570 -0.448 0.000 2.113 743 I HA -0.218 3.952 4.170 0.001 0.000 0.242 743 I C 0.704 176.654 176.117 -0.279 0.000 1.064 743 I CA 1.723 62.654 61.300 -0.614 0.000 1.320 743 I CB -1.189 36.555 38.000 -0.427 0.000 1.028 743 I HN 0.590 nan 8.210 nan 0.000 0.406 744 H N 0.215 119.106 119.070 -0.299 0.000 3.143 744 H HA 0.191 4.747 4.556 0.001 0.000 0.303 744 H C -2.115 173.155 175.328 -0.096 0.000 1.109 744 H CA -1.125 54.770 56.048 -0.254 0.000 1.494 744 H CB 1.381 30.835 29.762 -0.513 0.000 2.132 744 H HN -0.268 nan 8.280 nan 0.000 0.433 745 P HA -0.238 nan 4.420 nan 0.000 0.217 745 P C 1.204 178.486 177.300 -0.030 0.000 1.148 745 P CA 2.000 64.969 63.100 -0.218 0.000 0.834 745 P CB 0.076 31.458 31.700 -0.529 0.000 0.783 746 S N -1.723 113.966 115.700 -0.017 0.000 2.547 746 S HA -0.116 4.354 4.470 0.001 0.000 0.255 746 S C 1.577 176.241 174.600 0.107 0.000 0.977 746 S CA 0.918 59.230 58.200 0.187 0.000 0.960 746 S CB -1.028 62.358 63.200 0.310 0.000 0.746 746 S HN 0.022 nan 8.310 nan 0.000 0.532 747 M N 0.996 120.614 119.600 0.030 0.000 2.428 747 M HA 0.367 4.848 4.480 0.001 0.000 0.239 747 M C 1.301 177.533 176.300 -0.113 0.000 1.121 747 M CA 0.116 55.418 55.300 0.004 0.000 1.019 747 M CB -0.806 31.811 32.600 0.028 0.000 1.485 747 M HN 0.495 nan 8.290 nan 0.000 0.484 748 I N -1.686 118.748 120.570 -0.227 0.000 3.428 748 I HA 0.034 4.205 4.170 0.001 0.000 0.286 748 I C 0.810 176.780 176.117 -0.245 0.000 1.287 748 I CA 0.113 61.166 61.300 -0.411 0.000 1.396 748 I CB -0.347 37.169 38.000 -0.808 0.000 1.062 748 I HN 0.022 nan 8.210 nan 0.000 0.471 749 L N 1.467 122.607 121.223 -0.138 0.000 2.456 749 L HA 0.580 4.921 4.340 0.001 0.000 0.257 749 L C 0.587 177.410 176.870 -0.079 0.000 1.162 749 L CA -0.369 54.410 54.840 -0.102 0.000 0.808 749 L CB 0.878 42.891 42.059 -0.077 0.000 1.136 749 L HN 0.133 nan 8.230 nan 0.000 0.466 750 G N -0.603 108.153 108.800 -0.073 0.000 2.519 750 G HA2 0.475 4.436 3.960 0.001 0.000 0.307 750 G HA3 0.475 4.436 3.960 0.001 0.000 0.307 750 G C 0.594 175.462 174.900 -0.053 0.000 1.266 750 G CA -0.510 44.555 45.100 -0.058 0.000 0.970 750 G HN 0.476 nan 8.290 nan 0.000 0.481 751 V N 1.692 121.581 119.914 -0.043 0.000 2.408 751 V HA -0.462 3.658 4.120 0.001 0.000 0.229 751 V C 3.204 179.268 176.094 -0.050 0.000 1.002 751 V CA 3.526 65.801 62.300 -0.042 0.000 1.104 751 V CB -1.776 30.027 31.823 -0.034 0.000 0.895 751 V HN 1.211 nan 8.190 nan 0.000 0.495 752 A N 0.335 123.130 122.820 -0.042 0.000 1.842 752 A HA -0.123 4.198 4.320 0.001 0.000 0.217 752 A C 2.483 180.025 177.584 -0.070 0.000 1.206 752 A CA 3.999 56.009 52.037 -0.044 0.000 0.630 752 A CB -1.412 17.572 19.000 -0.027 0.000 0.839 752 A HN 1.399 nan 8.150 nan 0.000 0.447 753 A N -0.458 122.324 122.820 -0.063 0.000 1.954 753 A HA -0.255 4.066 4.320 0.001 0.000 0.222 753 A C 2.387 179.912 177.584 -0.099 0.000 1.199 753 A CA 2.727 54.720 52.037 -0.073 0.000 0.657 753 A CB -1.286 17.671 19.000 -0.071 0.000 0.823 753 A HN 0.617 nan 8.150 nan 0.000 0.463 754 S N 0.020 115.660 115.700 -0.100 0.000 2.387 754 S HA -0.200 4.271 4.470 0.001 0.000 0.230 754 S C 1.547 176.044 174.600 -0.172 0.000 1.035 754 S CA 1.737 59.869 58.200 -0.114 0.000 1.014 754 S CB -0.683 62.459 63.200 -0.096 0.000 0.836 754 S HN 0.672 nan 8.310 nan 0.000 0.466 755 I N 1.022 121.459 120.570 -0.223 0.000 3.334 755 I HA 0.081 4.252 4.170 0.001 0.000 0.282 755 I C 0.114 176.068 176.117 -0.272 0.000 1.313 755 I CA 0.410 61.498 61.300 -0.353 0.000 1.396 755 I CB -0.607 37.097 38.000 -0.492 0.000 1.054 755 I HN 0.140 nan 8.210 nan 0.000 0.495 756 I N 4.943 125.398 120.570 -0.193 0.000 2.363 756 I HA 0.169 4.339 4.170 0.001 0.000 0.292 756 I C -1.961 174.062 176.117 -0.156 0.000 1.075 756 I CA -1.841 59.363 61.300 -0.159 0.000 1.333 756 I CB 0.224 38.169 38.000 -0.091 0.000 1.415 756 I HN -0.149 nan 8.210 nan 0.000 0.502 757 P HA 0.024 nan 4.420 nan 0.000 0.271 757 P C -0.052 177.211 177.300 -0.062 0.000 1.220 757 P CA 0.101 63.022 63.100 -0.298 0.000 0.768 757 P CB 0.284 31.804 31.700 -0.300 0.000 0.848 758 F N 1.209 121.215 119.950 0.093 0.000 3.090 758 F HA -0.183 4.344 4.527 0.001 0.000 0.282 758 F C -0.670 175.206 175.800 0.128 0.000 0.923 758 F CA -0.240 57.874 58.000 0.190 0.000 0.977 758 F CB -1.983 37.172 39.000 0.258 0.000 0.954 758 F HN 0.354 nan 8.300 nan 0.000 0.695 759 P HA -0.219 nan 4.420 nan 0.000 0.219 759 P C 0.927 178.200 177.300 -0.045 0.000 1.144 759 P CA 2.190 65.295 63.100 0.009 0.000 0.806 759 P CB -0.068 31.570 31.700 -0.104 0.000 0.771 760 D N -1.935 118.382 120.400 -0.139 0.000 2.344 760 D HA -0.100 4.541 4.640 0.001 0.000 0.242 760 D C 0.888 176.984 176.300 -0.340 0.000 1.159 760 D CA 0.142 53.997 54.000 -0.241 0.000 0.859 760 D CB -0.961 39.633 40.800 -0.343 0.000 0.925 760 D HN 0.326 nan 8.370 nan 0.000 0.510 761 H N -0.731 118.366 119.070 0.046 0.000 3.398 761 H HA 0.235 4.792 4.556 0.001 0.000 0.260 761 H C -0.247 175.088 175.328 0.011 0.000 1.189 761 H CA -0.377 55.689 56.048 0.030 0.000 1.145 761 H CB 0.754 30.534 29.762 0.029 0.000 1.599 761 H HN 0.056 nan 8.280 nan 0.000 0.615 762 N N 1.294 120.056 118.700 0.103 0.000 2.272 762 N HA 0.055 4.795 4.740 0.001 0.000 0.305 762 N C -0.078 175.442 175.510 0.017 0.000 1.103 762 N CA -0.505 52.578 53.050 0.056 0.000 0.791 762 N CB 2.226 40.757 38.487 0.073 0.000 1.356 762 N HN 0.153 nan 8.380 nan 0.000 0.486 763 Q N 1.093 120.891 119.800 -0.004 0.000 2.413 763 Q HA -0.103 4.238 4.340 0.001 0.000 0.298 763 Q C 1.104 177.080 176.000 -0.039 0.000 1.186 763 Q CA 0.355 56.144 55.803 -0.024 0.000 1.014 763 Q CB 0.199 28.914 28.738 -0.039 0.000 1.130 763 Q HN 0.678 nan 8.270 nan 0.000 0.410 764 S N 5.146 120.829 115.700 -0.029 0.000 2.490 764 S HA -0.223 4.247 4.470 0.001 0.000 0.291 764 S C -0.786 173.774 174.600 -0.066 0.000 1.182 764 S CA 2.092 60.271 58.200 -0.035 0.000 1.215 764 S CB -0.743 62.443 63.200 -0.024 0.000 1.176 764 S HN 0.832 nan 8.310 nan 0.000 0.440 765 P HA -0.123 nan 4.420 nan 0.000 0.218 765 P C 1.322 178.452 177.300 -0.283 0.000 1.148 765 P CA 1.044 64.041 63.100 -0.171 0.000 0.822 765 P CB -0.255 31.337 31.700 -0.180 0.000 0.784 766 R N 0.326 120.691 120.500 -0.226 0.000 2.113 766 R HA -0.117 4.224 4.340 0.001 0.000 0.244 766 R C 1.957 178.196 176.300 -0.102 0.000 1.142 766 R CA 1.194 57.171 56.100 -0.204 0.000 0.953 766 R CB -1.424 28.840 30.300 -0.060 0.000 0.860 766 R HN 0.354 nan 8.270 nan 0.000 0.438 767 N N -0.044 118.630 118.700 -0.043 0.000 2.364 767 N HA -0.092 4.648 4.740 0.001 0.000 0.183 767 N C 1.429 176.946 175.510 0.011 0.000 1.022 767 N CA 1.339 54.390 53.050 0.001 0.000 0.883 767 N CB -0.271 38.211 38.487 -0.008 0.000 0.965 767 N HN 0.246 nan 8.380 nan 0.000 0.438 768 T N 0.250 114.797 114.554 -0.012 0.000 2.962 768 T HA -0.033 4.317 4.350 0.001 0.000 0.270 768 T C 1.662 176.511 174.700 0.249 0.000 1.088 768 T CA 0.734 62.874 62.100 0.068 0.000 1.127 768 T CB -0.158 68.739 68.868 0.048 0.000 0.883 768 T HN 0.425 nan 8.240 nan 0.000 0.493 769 Y N 0.728 121.032 120.300 0.007 0.000 2.231 769 Y HA -0.061 4.489 4.550 0.001 0.000 0.294 769 Y C 2.942 178.848 175.900 0.010 0.000 1.120 769 Y CA 0.266 58.373 58.100 0.011 0.000 1.141 769 Y CB -0.063 38.411 38.460 0.023 0.000 1.022 769 Y HN 0.107 nan 8.280 nan 0.000 0.523 770 Q N 0.813 120.725 119.800 0.186 0.000 2.297 770 Q HA -0.122 4.218 4.340 0.001 0.000 0.208 770 Q C 1.536 177.570 176.000 0.056 0.000 0.981 770 Q CA 1.425 57.283 55.803 0.092 0.000 0.876 770 Q CB -0.314 28.448 28.738 0.040 0.000 0.921 770 Q HN 0.088 nan 8.270 nan 0.000 0.446 771 S N -0.906 114.832 115.700 0.063 0.000 2.754 771 S HA 0.343 4.814 4.470 0.001 0.000 0.223 771 S C 0.740 175.359 174.600 0.032 0.000 0.951 771 S CA 0.394 58.612 58.200 0.031 0.000 0.954 771 S CB 0.216 63.427 63.200 0.018 0.000 0.780 771 S HN 0.510 nan 8.310 nan 0.000 0.509 772 A N -0.146 122.701 122.820 0.044 0.000 2.334 772 A HA 0.415 4.735 4.320 0.001 0.000 0.184 772 A C 1.483 179.075 177.584 0.014 0.000 1.594 772 A CA -0.170 51.877 52.037 0.017 0.000 1.162 772 A CB -0.043 18.959 19.000 0.004 0.000 1.426 772 A HN 0.398 nan 8.150 nan 0.000 0.494 773 M N -0.050 119.567 119.600 0.028 0.000 2.388 773 M HA 0.056 4.537 4.480 0.001 0.000 0.265 773 M C 2.105 178.423 176.300 0.030 0.000 1.088 773 M CA 1.140 56.452 55.300 0.020 0.000 1.134 773 M CB -0.107 32.512 32.600 0.032 0.000 1.384 773 M HN 0.496 nan 8.290 nan 0.000 0.447 774 G N 1.096 109.922 108.800 0.044 0.000 2.479 774 G HA2 -0.197 3.764 3.960 0.001 0.000 0.220 774 G HA3 -0.197 3.764 3.960 0.001 0.000 0.220 774 G C 1.266 176.217 174.900 0.086 0.000 1.115 774 G CA 0.667 45.807 45.100 0.067 0.000 0.757 774 G HN 0.428 nan 8.290 nan 0.000 0.560 775 K N -0.020 120.424 120.400 0.073 0.000 2.627 775 K HA 0.181 4.502 4.320 0.001 0.000 0.212 775 K C 0.957 177.667 176.600 0.185 0.000 1.041 775 K CA 0.139 56.506 56.287 0.133 0.000 1.205 775 K CB 0.300 32.838 32.500 0.063 0.000 0.936 775 K HN 0.364 nan 8.250 nan 0.000 0.489 776 Q N -0.936 118.896 119.800 0.052 0.000 1.988 776 Q HA 0.195 4.536 4.340 0.001 0.000 0.202 776 Q C -0.160 175.764 176.000 -0.126 0.000 0.760 776 Q CA -0.291 55.439 55.803 -0.121 0.000 0.940 776 Q CB 1.226 29.849 28.738 -0.192 0.000 1.214 776 Q HN 0.223 nan 8.270 nan 0.000 0.432 777 A N 0.847 123.660 122.820 -0.012 0.000 2.249 777 A HA 0.682 5.003 4.320 0.001 0.000 0.281 777 A C 0.006 177.610 177.584 0.035 0.000 1.127 777 A CA -0.137 51.907 52.037 0.011 0.000 0.833 777 A CB 0.531 19.562 19.000 0.052 0.000 1.140 777 A HN 0.161 nan 8.150 nan 0.000 0.502 778 M N -1.503 118.131 119.600 0.057 0.000 2.840 778 M HA 0.646 5.126 4.480 0.001 0.000 0.283 778 M C 0.779 177.126 176.300 0.078 0.000 1.136 778 M CA 0.410 55.754 55.300 0.074 0.000 0.857 778 M CB 2.011 34.659 32.600 0.080 0.000 1.644 778 M HN 1.105 nan 8.290 nan 0.000 0.520 779 G N -0.335 108.502 108.800 0.061 0.000 2.374 779 G HA2 0.163 4.123 3.960 0.001 0.000 0.067 779 G HA3 0.163 4.123 3.960 0.001 0.000 0.067 779 G C -1.831 173.051 174.900 -0.030 0.000 1.023 779 G CA -0.598 44.513 45.100 0.018 0.000 1.131 779 G HN 0.605 nan 8.290 nan 0.000 0.436 780 V N 1.917 121.798 119.914 -0.056 0.000 2.509 780 V HA 0.439 4.559 4.120 0.001 0.000 0.289 780 V C 0.567 176.618 176.094 -0.072 0.000 1.026 780 V CA 0.012 62.227 62.300 -0.141 0.000 0.872 780 V CB 0.908 32.626 31.823 -0.176 0.000 1.017 780 V HN 1.068 nan 8.190 nan 0.000 0.436 781 F N 3.947 123.908 119.950 0.019 0.000 2.615 781 F HA 0.587 5.114 4.527 0.001 0.000 0.297 781 F C 0.168 176.041 175.800 0.122 0.000 1.124 781 F CA 0.356 58.404 58.000 0.081 0.000 1.451 781 F CB -0.056 38.978 39.000 0.057 0.000 1.103 781 F HN 0.287 nan 8.300 nan 0.000 0.569 782 L N -1.017 120.067 121.223 -0.230 0.000 3.064 782 L HA 0.193 4.534 4.340 0.001 0.000 0.282 782 L C 0.851 177.527 176.870 -0.322 0.000 1.045 782 L CA 0.034 54.805 54.840 -0.114 0.000 0.986 782 L CB 1.726 43.843 42.059 0.097 0.000 1.571 782 L HN -0.010 nan 8.230 nan 0.000 0.377 783 T N -4.137 110.245 114.554 -0.286 0.000 2.990 783 T HA -0.009 4.341 4.350 0.001 0.000 0.249 783 T C 0.956 175.371 174.700 -0.475 0.000 1.039 783 T CA 0.463 62.343 62.100 -0.367 0.000 1.036 783 T CB -0.220 68.454 68.868 -0.323 0.000 0.994 783 T HN 0.635 nan 8.240 nan 0.000 0.489 784 N N 1.753 120.246 118.700 -0.345 0.000 2.501 784 N HA -0.073 4.668 4.740 0.001 0.000 0.195 784 N C 1.457 176.800 175.510 -0.278 0.000 1.213 784 N CA 0.219 53.084 53.050 -0.309 0.000 0.864 784 N CB -0.770 37.614 38.487 -0.171 0.000 0.999 784 N HN 0.709 nan 8.380 nan 0.000 0.454 785 Y N 0.457 120.546 120.300 -0.352 0.000 2.256 785 Y HA -0.076 4.474 4.550 0.001 0.000 0.288 785 Y C 1.708 177.419 175.900 -0.316 0.000 1.155 785 Y CA 1.027 58.887 58.100 -0.399 0.000 1.203 785 Y CB -1.354 36.673 38.460 -0.722 0.000 0.980 785 Y HN -0.014 nan 8.280 nan 0.000 0.530 786 N N 0.272 118.644 118.700 -0.546 0.000 2.443 786 N HA -0.086 4.654 4.740 0.001 0.000 0.184 786 N C 0.386 175.838 175.510 -0.097 0.000 1.037 786 N CA 1.301 54.192 53.050 -0.265 0.000 0.896 786 N CB -0.025 38.215 38.487 -0.413 0.000 0.959 786 N HN 0.358 nan 8.380 nan 0.000 0.442 787 V N -0.333 119.520 119.914 -0.102 0.000 3.070 787 V HA 0.300 4.421 4.120 0.001 0.000 0.345 787 V C 0.020 176.115 176.094 0.001 0.000 1.403 787 V CA -0.296 61.980 62.300 -0.040 0.000 1.155 787 V CB 0.029 31.818 31.823 -0.057 0.000 1.140 787 V HN 0.066 nan 8.190 nan 0.000 0.505 788 R N 1.278 121.795 120.500 0.029 0.000 2.215 788 R HA 0.503 4.843 4.340 0.001 0.000 0.336 788 R C -0.265 176.076 176.300 0.068 0.000 0.996 788 R CA -0.521 55.623 56.100 0.073 0.000 0.847 788 R CB 1.384 31.786 30.300 0.170 0.000 1.127 788 R HN 0.139 nan 8.270 nan 0.000 0.465 789 M N 3.579 123.208 119.600 0.048 0.000 3.533 789 M HA 0.087 4.568 4.480 0.001 0.000 0.217 789 M C -0.749 175.562 176.300 0.018 0.000 1.269 789 M CA -0.602 54.717 55.300 0.032 0.000 1.435 789 M CB -0.866 31.741 32.600 0.012 0.000 1.105 789 M HN 0.425 nan 8.290 nan 0.000 0.555 790 D N -0.132 120.277 120.400 0.015 0.000 2.210 790 D HA 0.273 4.913 4.640 0.001 0.000 0.249 790 D C 0.263 176.530 176.300 -0.054 0.000 1.062 790 D CA -0.500 53.484 54.000 -0.027 0.000 0.891 790 D CB 0.522 41.283 40.800 -0.064 0.000 1.186 790 D HN 0.220 nan 8.370 nan 0.000 0.432 791 T N -0.070 114.440 114.554 -0.072 0.000 2.751 791 T HA 0.323 4.674 4.350 0.001 0.000 0.290 791 T C 0.711 175.336 174.700 -0.125 0.000 0.919 791 T CA -0.863 61.171 62.100 -0.110 0.000 1.136 791 T CB -0.283 68.534 68.868 -0.085 0.000 0.875 791 T HN 0.661 nan 8.240 nan 0.000 0.532 792 M N 1.818 121.299 119.600 -0.198 0.000 4.047 792 M HA 0.005 4.485 4.480 0.001 0.000 0.157 792 M C -0.741 175.461 176.300 -0.163 0.000 1.532 792 M CA 0.954 56.103 55.300 -0.251 0.000 1.097 792 M CB -1.063 31.483 32.600 -0.091 0.000 1.346 792 M HN 1.689 nan 8.290 nan 0.000 0.190 793 A N 4.203 126.911 122.820 -0.186 0.000 2.571 793 A HA 0.754 5.075 4.320 0.001 0.000 0.296 793 A C -1.795 175.803 177.584 0.024 0.000 1.005 793 A CA -0.824 51.207 52.037 -0.010 0.000 0.682 793 A CB 1.279 20.350 19.000 0.118 0.000 1.292 793 A HN 0.822 nan 8.150 nan 0.000 0.420 794 N N -0.201 118.562 118.700 0.104 0.000 2.265 794 N HA 0.768 5.509 4.740 0.001 0.000 0.300 794 N C -1.696 173.816 175.510 0.003 0.000 1.148 794 N CA -0.340 52.772 53.050 0.104 0.000 0.772 794 N CB 1.961 40.535 38.487 0.144 0.000 1.434 794 N HN 0.456 nan 8.380 nan 0.000 0.481 795 I N 1.491 122.032 120.570 -0.048 0.000 2.500 795 I HA 0.174 4.344 4.170 0.001 0.000 0.286 795 I C -0.723 175.405 176.117 0.019 0.000 1.063 795 I CA -0.565 60.650 61.300 -0.143 0.000 1.062 795 I CB 1.739 39.442 38.000 -0.495 0.000 1.223 795 I HN 0.377 nan 8.210 nan 0.000 0.435 796 L N 7.544 128.799 121.223 0.053 0.000 2.534 796 L HA 0.086 4.427 4.340 0.001 0.000 0.271 796 L C 0.700 177.672 176.870 0.170 0.000 1.178 796 L CA 0.728 55.642 54.840 0.123 0.000 0.907 796 L CB -0.191 41.931 42.059 0.105 0.000 1.164 796 L HN 0.540 nan 8.230 nan 0.000 0.482 797 Y N 5.222 125.513 120.300 -0.014 0.000 1.938 797 Y HA -0.294 4.257 4.550 0.001 0.000 0.253 797 Y C 0.570 176.572 175.900 0.170 0.000 1.163 797 Y CA 2.135 60.211 58.100 -0.040 0.000 1.086 797 Y CB -0.629 37.650 38.460 -0.302 0.000 0.928 797 Y HN 0.539 nan 8.280 nan 0.000 0.493 798 Y N 0.842 121.244 120.300 0.171 0.000 2.593 798 Y HA 0.270 4.820 4.550 0.001 0.000 0.331 798 Y C -1.996 173.907 175.900 0.004 0.000 0.986 798 Y CA -2.911 55.222 58.100 0.054 0.000 1.262 798 Y CB 0.502 38.985 38.460 0.038 0.000 1.098 798 Y HN 0.039 nan 8.280 nan 0.000 0.506 799 P HA 0.057 nan 4.420 nan 0.000 0.280 799 P C -0.899 176.426 177.300 0.042 0.000 1.278 799 P CA -0.131 63.004 63.100 0.057 0.000 0.787 799 P CB 0.583 32.281 31.700 -0.003 0.000 1.163 800 Q N -0.688 119.134 119.800 0.037 0.000 2.913 800 Q HA 0.086 4.426 4.340 0.001 0.000 0.208 800 Q C -1.120 174.873 176.000 -0.012 0.000 0.848 800 Q CA -0.556 55.258 55.803 0.019 0.000 1.227 800 Q CB 0.705 29.473 28.738 0.050 0.000 1.647 800 Q HN 0.374 nan 8.270 nan 0.000 0.591 801 K N 2.924 123.265 120.400 -0.099 0.000 2.440 801 K HA 0.306 4.627 4.320 0.001 0.000 0.270 801 K C -2.274 174.117 176.600 -0.347 0.000 0.980 801 K CA -0.872 55.312 56.287 -0.171 0.000 0.953 801 K CB 0.207 32.636 32.500 -0.119 0.000 0.925 801 K HN 0.148 nan 8.250 nan 0.000 0.497 802 P HA 0.005 nan 4.420 nan 0.000 0.274 802 P C 0.301 177.394 177.300 -0.344 0.000 1.231 802 P CA -0.323 62.310 63.100 -0.779 0.000 0.790 802 P CB 0.809 31.990 31.700 -0.865 0.000 0.951 803 L N 0.546 121.615 121.223 -0.257 0.000 2.179 803 L HA 0.103 4.444 4.340 0.001 0.000 0.208 803 L C 1.599 178.395 176.870 -0.123 0.000 1.096 803 L CA 1.015 55.770 54.840 -0.142 0.000 0.779 803 L CB -0.732 41.271 42.059 -0.092 0.000 0.922 803 L HN 0.494 nan 8.230 nan 0.000 0.443 804 G N -0.147 108.563 108.800 -0.149 0.000 2.348 804 G HA2 0.512 4.472 3.960 0.001 0.000 0.312 804 G HA3 0.512 4.472 3.960 0.001 0.000 0.312 804 G C -0.481 174.301 174.900 -0.198 0.000 1.126 804 G CA 0.030 45.041 45.100 -0.148 0.000 0.865 804 G HN 0.116 nan 8.290 nan 0.000 0.474 805 T N -1.811 112.624 114.554 -0.198 0.000 2.787 805 T HA 0.735 5.086 4.350 0.001 0.000 0.297 805 T C -0.445 174.134 174.700 -0.202 0.000 1.221 805 T CA -0.753 61.229 62.100 -0.196 0.000 1.006 805 T CB 1.939 70.722 68.868 -0.141 0.000 1.328 805 T HN 0.430 nan 8.240 nan 0.000 0.509 806 T N 1.274 115.715 114.554 -0.187 0.000 2.888 806 T HA 0.434 4.785 4.350 0.001 0.000 0.284 806 T C 1.263 175.864 174.700 -0.164 0.000 1.017 806 T CA -1.088 60.919 62.100 -0.156 0.000 1.022 806 T CB 1.697 70.478 68.868 -0.145 0.000 1.013 806 T HN 0.565 nan 8.240 nan 0.000 0.465 807 R N 1.404 121.770 120.500 -0.222 0.000 2.193 807 R HA -0.029 4.311 4.340 0.001 0.000 0.229 807 R C 2.244 178.375 176.300 -0.282 0.000 1.110 807 R CA 1.017 56.838 56.100 -0.465 0.000 0.988 807 R CB -1.055 28.556 30.300 -1.148 0.000 0.871 807 R HN 0.717 nan 8.270 nan 0.000 0.458 808 A N 1.786 124.513 122.820 -0.155 0.000 1.873 808 A HA -0.128 4.192 4.320 0.001 0.000 0.215 808 A C 2.330 179.940 177.584 0.042 0.000 1.186 808 A CA 1.306 53.317 52.037 -0.043 0.000 0.616 808 A CB -0.427 18.547 19.000 -0.043 0.000 0.823 808 A HN 0.181 nan 8.150 nan 0.000 0.442 809 M N -0.788 118.785 119.600 -0.045 0.000 2.116 809 M HA -0.300 4.181 4.480 0.001 0.000 0.255 809 M C 2.053 178.392 176.300 0.065 0.000 1.075 809 M CA 2.239 57.527 55.300 -0.020 0.000 1.087 809 M CB -0.840 31.716 32.600 -0.073 0.000 1.340 809 M HN 0.627 nan 8.290 nan 0.000 0.402 810 E N 0.305 120.509 120.200 0.008 0.000 2.164 810 E HA -0.259 4.091 4.350 0.001 0.000 0.206 810 E C 1.593 178.071 176.600 -0.204 0.000 1.032 810 E CA 2.183 58.499 56.400 -0.140 0.000 0.832 810 E CB -0.103 29.399 29.700 -0.329 0.000 0.742 810 E HN 0.673 nan 8.360 nan 0.000 0.460 811 Y N -0.705 119.487 120.300 -0.180 0.000 2.490 811 Y HA 0.130 4.680 4.550 0.001 0.000 0.285 811 Y C 1.819 177.615 175.900 -0.174 0.000 1.117 811 Y CA 0.258 58.193 58.100 -0.275 0.000 1.262 811 Y CB 0.071 38.104 38.460 -0.712 0.000 1.043 811 Y HN 0.013 nan 8.280 nan 0.000 0.553 812 L N 0.399 121.681 121.223 0.099 0.000 2.591 812 L HA 0.032 4.373 4.340 0.001 0.000 0.228 812 L C 0.186 177.263 176.870 0.345 0.000 1.133 812 L CA 0.213 55.166 54.840 0.189 0.000 0.880 812 L CB -0.242 41.907 42.059 0.151 0.000 1.033 812 L HN 0.047 nan 8.230 nan 0.000 0.450 813 K N -0.700 119.827 120.400 0.211 0.000 3.257 813 K HA -0.258 4.063 4.320 0.001 0.000 0.270 813 K C 0.522 177.192 176.600 0.116 0.000 0.984 813 K CA 0.525 56.895 56.287 0.138 0.000 0.739 813 K CB -2.282 30.280 32.500 0.103 0.000 1.351 813 K HN 0.183 nan 8.250 nan 0.000 0.463 814 F N 0.969 120.923 119.950 0.006 0.000 2.149 814 F HA -0.004 4.524 4.527 0.001 0.000 0.294 814 F C 2.284 178.054 175.800 -0.050 0.000 1.095 814 F CA 1.079 59.078 58.000 -0.001 0.000 1.276 814 F CB 0.082 39.085 39.000 0.004 0.000 1.023 814 F HN 0.159 nan 8.300 nan 0.000 0.480 815 R N -0.047 120.485 120.500 0.054 0.000 2.170 815 R HA -0.202 4.138 4.340 0.001 0.000 0.242 815 R C 1.745 177.972 176.300 -0.122 0.000 1.145 815 R CA 1.712 57.787 56.100 -0.043 0.000 0.984 815 R CB -0.418 29.865 30.300 -0.029 0.000 0.869 815 R HN 0.328 nan 8.270 nan 0.000 0.455 816 E N 0.179 120.289 120.200 -0.150 0.000 2.075 816 E HA 0.071 4.421 4.350 0.001 0.000 0.190 816 E C 0.280 176.645 176.600 -0.392 0.000 0.969 816 E CA 0.723 56.978 56.400 -0.240 0.000 0.815 816 E CB 0.395 29.966 29.700 -0.215 0.000 0.776 816 E HN 0.138 nan 8.360 nan 0.000 0.457 817 L N 2.367 123.315 121.223 -0.458 0.000 2.581 817 L HA 0.381 4.722 4.340 0.001 0.000 0.241 817 L C -2.297 174.273 176.870 -0.498 0.000 1.265 817 L CA -1.835 52.737 54.840 -0.447 0.000 0.954 817 L CB 0.706 42.468 42.059 -0.496 0.000 1.269 817 L HN -0.024 nan 8.230 nan 0.000 0.475 818 P HA -0.030 nan 4.420 nan 0.000 0.272 818 P C 0.318 177.398 177.300 -0.366 0.000 1.243 818 P CA -0.021 62.688 63.100 -0.651 0.000 0.803 818 P CB 1.519 33.083 31.700 -0.227 0.000 0.974 819 A N -0.636 122.131 122.820 -0.089 0.000 2.431 819 A HA 0.556 4.877 4.320 0.001 0.000 0.239 819 A C 0.946 178.521 177.584 -0.015 0.000 1.230 819 A CA 0.986 53.068 52.037 0.076 0.000 0.928 819 A CB -0.132 19.069 19.000 0.335 0.000 1.006 819 A HN 0.745 nan 8.150 nan 0.000 0.520 820 G N -0.965 107.829 108.800 -0.010 0.000 2.539 820 G HA2 0.473 4.434 3.960 0.001 0.000 0.138 820 G HA3 0.473 4.434 3.960 0.001 0.000 0.138 820 G C -1.709 173.256 174.900 0.107 0.000 1.148 820 G CA -0.392 44.642 45.100 -0.109 0.000 1.057 820 G HN 0.267 nan 8.290 nan 0.000 0.511 821 Q N 0.010 119.831 119.800 0.035 0.000 2.391 821 Q HA 0.365 4.706 4.340 0.001 0.000 0.279 821 Q C -1.492 174.665 176.000 0.261 0.000 1.028 821 Q CA -0.973 54.910 55.803 0.134 0.000 0.836 821 Q CB 2.296 30.830 28.738 -0.339 0.000 1.414 821 Q HN 0.415 nan 8.270 nan 0.000 0.397 822 N N 1.316 120.150 118.700 0.224 0.000 2.402 822 N HA 0.281 5.021 4.740 0.001 0.000 0.259 822 N C -1.103 174.423 175.510 0.027 0.000 1.167 822 N CA 0.140 53.269 53.050 0.132 0.000 0.949 822 N CB 0.983 39.482 38.487 0.020 0.000 1.212 822 N HN 0.542 nan 8.380 nan 0.000 0.493 823 A N 3.047 125.890 122.820 0.039 0.000 2.305 823 A HA 0.400 4.720 4.320 0.001 0.000 0.322 823 A C 0.488 178.060 177.584 -0.020 0.000 1.187 823 A CA -0.734 51.322 52.037 0.030 0.000 0.825 823 A CB 0.630 19.736 19.000 0.178 0.000 1.164 823 A HN 0.494 nan 8.150 nan 0.000 0.498 824 I N 4.118 124.656 120.570 -0.053 0.000 2.577 824 I HA 0.002 4.173 4.170 0.001 0.000 0.299 824 I C 0.914 176.855 176.117 -0.293 0.000 1.157 824 I CA 0.415 61.611 61.300 -0.174 0.000 1.418 824 I CB -1.572 36.352 38.000 -0.125 0.000 1.467 824 I HN 0.310 nan 8.210 nan 0.000 0.624 825 V N 5.518 125.278 119.914 -0.256 0.000 3.976 825 V HA 0.312 4.433 4.120 0.001 0.000 0.288 825 V C 1.003 176.842 176.094 -0.424 0.000 1.047 825 V CA 0.425 62.616 62.300 -0.181 0.000 1.072 825 V CB 0.879 32.681 31.823 -0.036 0.000 1.191 825 V HN 0.929 nan 8.190 nan 0.000 0.464 826 A N 0.894 123.600 122.820 -0.190 0.000 2.249 826 A HA 0.310 4.631 4.320 0.001 0.000 0.238 826 A C -0.447 177.125 177.584 -0.021 0.000 1.638 826 A CA -0.667 51.265 52.037 -0.175 0.000 1.716 826 A CB -0.602 18.280 19.000 -0.197 0.000 0.959 826 A HN 0.560 nan 8.150 nan 0.000 0.901 827 I N 1.574 122.163 120.570 0.033 0.000 2.996 827 I HA 0.177 4.348 4.170 0.001 0.000 0.285 827 I C 0.843 176.930 176.117 -0.050 0.000 1.173 827 I CA 1.489 62.776 61.300 -0.021 0.000 1.396 827 I CB -0.238 37.700 38.000 -0.104 0.000 1.470 827 I HN 0.699 nan 8.210 nan 0.000 0.586 828 A N 5.413 128.208 122.820 -0.041 0.000 2.540 828 A HA 0.558 4.878 4.320 0.001 0.000 0.291 828 A C -1.274 176.308 177.584 -0.003 0.000 1.083 828 A CA -0.581 51.427 52.037 -0.047 0.000 0.650 828 A CB 0.973 19.942 19.000 -0.051 0.000 1.292 828 A HN 0.501 nan 8.150 nan 0.000 0.435 829 C N 0.754 120.062 119.300 0.014 0.000 2.369 829 C HA 0.771 5.231 4.460 0.001 0.000 0.358 829 C C -0.812 174.303 174.990 0.208 0.000 1.274 829 C CA 0.046 59.115 59.018 0.085 0.000 1.935 829 C CB -0.535 27.235 27.740 0.050 0.000 2.431 829 C HN 0.620 nan 8.230 nan 0.000 0.545 830 Y N 2.244 122.548 120.300 0.007 0.000 2.479 830 Y HA 0.484 5.035 4.550 0.001 0.000 0.338 830 Y C 0.891 176.805 175.900 0.024 0.000 1.055 830 Y CA 0.273 58.351 58.100 -0.037 0.000 1.023 830 Y CB 1.788 40.200 38.460 -0.081 0.000 1.287 830 Y HN 0.974 nan 8.280 nan 0.000 0.447 831 S N 2.200 117.757 115.700 -0.238 0.000 4.155 831 S HA -0.270 4.200 4.470 0.001 0.000 0.539 831 S C 0.949 175.639 174.600 0.150 0.000 1.841 831 S CA 1.683 59.837 58.200 -0.078 0.000 4.215 831 S CB -1.838 61.304 63.200 -0.096 0.000 0.531 831 S HN 2.229 nan 8.310 nan 0.000 0.461 832 G N -1.575 107.449 108.800 0.372 0.000 4.887 832 G HA2 0.450 4.410 3.960 0.001 0.000 0.220 832 G HA3 0.450 4.410 3.960 0.001 0.000 0.220 832 G C -0.038 175.090 174.900 0.380 0.000 0.775 832 G CA 0.403 45.695 45.100 0.320 0.000 1.041 832 G HN 0.539 nan 8.290 nan 0.000 0.627 833 Y N 1.429 121.787 120.300 0.098 0.000 2.509 833 Y HA 0.108 4.658 4.550 0.001 0.000 0.270 833 Y C 2.296 178.242 175.900 0.077 0.000 1.103 833 Y CA 0.287 58.433 58.100 0.077 0.000 1.278 833 Y CB 0.049 38.556 38.460 0.079 0.000 1.087 833 Y HN 0.417 nan 8.280 nan 0.000 0.542 834 N N 0.611 119.472 118.700 0.268 0.000 2.521 834 N HA -0.100 4.640 4.740 0.001 0.000 0.188 834 N C 0.571 176.157 175.510 0.126 0.000 1.146 834 N CA 0.141 53.296 53.050 0.176 0.000 0.893 834 N CB -0.149 38.440 38.487 0.171 0.000 0.975 834 N HN 0.405 nan 8.380 nan 0.000 0.451 835 Q N 0.582 120.455 119.800 0.121 0.000 2.651 835 Q HA -0.014 4.327 4.340 0.001 0.000 0.224 835 Q C -0.040 175.986 176.000 0.043 0.000 1.094 835 Q CA -0.162 55.695 55.803 0.089 0.000 1.018 835 Q CB 0.409 29.184 28.738 0.062 0.000 1.292 835 Q HN 0.121 nan 8.270 nan 0.000 0.588 836 E N 1.441 121.654 120.200 0.022 0.000 2.282 836 E HA -0.356 3.994 4.350 0.001 0.000 0.228 836 E C -1.017 175.584 176.600 0.002 0.000 1.314 836 E CA 1.503 57.900 56.400 -0.004 0.000 0.716 836 E CB -1.141 28.541 29.700 -0.030 0.000 1.167 836 E HN 0.776 nan 8.360 nan 0.000 0.372 837 D N -1.051 119.363 120.400 0.023 0.000 2.798 837 D HA -0.134 4.506 4.640 0.001 0.000 0.237 837 D C -0.966 175.340 176.300 0.010 0.000 1.092 837 D CA 1.224 55.236 54.000 0.020 0.000 0.727 837 D CB -1.150 39.657 40.800 0.012 0.000 1.087 837 D HN 0.359 nan 8.370 nan 0.000 0.437 838 S N -0.438 115.276 115.700 0.023 0.000 2.540 838 S HA 0.750 5.221 4.470 0.001 0.000 0.275 838 S C -0.035 174.598 174.600 0.056 0.000 1.123 838 S CA -1.130 57.081 58.200 0.018 0.000 0.907 838 S CB 2.657 65.860 63.200 0.005 0.000 1.081 838 S HN 0.267 nan 8.310 nan 0.000 0.476 839 M N 1.616 121.252 119.600 0.059 0.000 2.364 839 M HA 0.569 5.050 4.480 0.001 0.000 0.334 839 M C -1.267 175.111 176.300 0.130 0.000 1.107 839 M CA -0.616 54.740 55.300 0.094 0.000 0.988 839 M CB 0.813 33.453 32.600 0.067 0.000 1.673 839 M HN 0.685 nan 8.290 nan 0.000 0.441 840 I N 4.510 125.186 120.570 0.177 0.000 2.517 840 I HA 0.140 4.311 4.170 0.001 0.000 0.285 840 I C 0.003 176.239 176.117 0.200 0.000 1.106 840 I CA 0.318 61.755 61.300 0.228 0.000 1.402 840 I CB 0.544 38.743 38.000 0.332 0.000 1.399 840 I HN 0.774 nan 8.210 nan 0.000 0.535 841 M N 7.275 126.982 119.600 0.178 0.000 2.167 841 M HA 0.300 4.780 4.480 0.001 0.000 0.333 841 M C -0.231 176.174 176.300 0.175 0.000 1.030 841 M CA -0.733 54.663 55.300 0.162 0.000 0.963 841 M CB 1.223 33.910 32.600 0.146 0.000 1.589 841 M HN 0.524 nan 8.290 nan 0.000 0.431 842 N N 3.511 122.316 118.700 0.175 0.000 2.357 842 N HA -0.130 4.611 4.740 0.001 0.000 0.257 842 N C 0.219 175.813 175.510 0.141 0.000 1.250 842 N CA 0.751 53.905 53.050 0.174 0.000 0.862 842 N CB 1.043 39.616 38.487 0.143 0.000 1.066 842 N HN 0.808 nan 8.380 nan 0.000 0.468 843 Q N 2.820 122.701 119.800 0.135 0.000 2.036 843 Q HA 0.058 4.399 4.340 0.001 0.000 0.195 843 Q C 1.573 177.622 176.000 0.081 0.000 0.971 843 Q CA 1.472 57.332 55.803 0.094 0.000 0.826 843 Q CB -0.600 28.186 28.738 0.080 0.000 0.896 843 Q HN 0.710 nan 8.270 nan 0.000 0.449 844 S N 0.553 116.305 115.700 0.087 0.000 2.434 844 S HA -0.288 4.182 4.470 0.001 0.000 0.240 844 S C 1.905 176.543 174.600 0.063 0.000 1.052 844 S CA 2.458 60.700 58.200 0.070 0.000 1.198 844 S CB -0.955 62.291 63.200 0.075 0.000 1.124 844 S HN 0.737 nan 8.310 nan 0.000 0.426 845 S N 1.342 117.086 115.700 0.072 0.000 2.423 845 S HA -0.117 4.353 4.470 0.001 0.000 0.238 845 S C 1.699 176.330 174.600 0.051 0.000 1.028 845 S CA 1.380 59.617 58.200 0.062 0.000 1.000 845 S CB -0.812 62.428 63.200 0.068 0.000 0.797 845 S HN 0.523 nan 8.310 nan 0.000 0.487 846 I N 2.025 122.632 120.570 0.062 0.000 2.315 846 I HA -0.143 4.027 4.170 0.001 0.000 0.248 846 I C 2.100 178.223 176.117 0.010 0.000 1.117 846 I CA 1.408 62.738 61.300 0.051 0.000 1.404 846 I CB -0.474 37.566 38.000 0.067 0.000 1.071 846 I HN 0.256 nan 8.210 nan 0.000 0.419 847 D N 1.176 121.588 120.400 0.019 0.000 2.084 847 D HA -0.150 4.490 4.640 0.001 0.000 0.194 847 D C 2.004 178.309 176.300 0.008 0.000 0.990 847 D CA 1.132 55.138 54.000 0.009 0.000 0.826 847 D CB -0.371 40.444 40.800 0.024 0.000 0.971 847 D HN 0.303 nan 8.370 nan 0.000 0.453 848 R N 0.121 120.639 120.500 0.029 0.000 2.397 848 R HA 0.048 4.389 4.340 0.001 0.000 0.213 848 R C 1.226 177.551 176.300 0.041 0.000 1.102 848 R CA 0.684 56.816 56.100 0.054 0.000 1.040 848 R CB -0.239 30.100 30.300 0.065 0.000 0.844 848 R HN 0.260 nan 8.270 nan 0.000 0.478 849 G N 0.734 109.511 108.800 -0.038 0.000 2.144 849 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 849 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 849 G C -0.049 174.753 174.900 -0.164 0.000 0.988 849 G CA -0.315 44.686 45.100 -0.166 0.000 0.659 849 G HN 0.240 nan 8.290 nan 0.000 0.522 850 L N 0.618 121.800 121.223 -0.069 0.000 2.578 850 L HA 0.523 4.864 4.340 0.001 0.000 0.279 850 L C 1.333 178.184 176.870 -0.032 0.000 1.227 850 L CA 0.834 55.613 54.840 -0.102 0.000 0.900 850 L CB -1.007 41.036 42.059 -0.027 0.000 1.144 850 L HN 0.712 nan 8.230 nan 0.000 0.496 851 F N 1.994 121.888 119.950 -0.093 0.000 3.021 851 F HA -0.312 4.215 4.527 0.001 0.000 0.294 851 F C 1.244 176.975 175.800 -0.114 0.000 0.761 851 F CA 0.900 58.849 58.000 -0.086 0.000 1.102 851 F CB -1.007 37.934 39.000 -0.097 0.000 1.380 851 F HN 0.603 nan 8.300 nan 0.000 0.387 852 R N 1.098 121.503 120.500 -0.158 0.000 2.590 852 R HA 0.395 4.735 4.340 0.001 0.000 0.274 852 R C 0.483 176.600 176.300 -0.305 0.000 1.061 852 R CA 0.796 56.628 56.100 -0.448 0.000 1.081 852 R CB 0.935 30.544 30.300 -1.151 0.000 0.984 852 R HN 0.254 nan 8.270 nan 0.000 0.448 853 S N 2.402 118.010 115.700 -0.153 0.000 2.595 853 S HA 0.510 4.980 4.470 0.001 0.000 0.281 853 S C -0.384 174.358 174.600 0.237 0.000 1.117 853 S CA -1.091 57.186 58.200 0.129 0.000 0.873 853 S CB 1.505 64.778 63.200 0.121 0.000 1.108 853 S HN 0.339 nan 8.310 nan 0.000 0.477 854 L N 1.506 122.910 121.223 0.301 0.000 2.399 854 L HA 0.651 4.991 4.340 0.001 0.000 0.265 854 L C -1.068 176.004 176.870 0.337 0.000 1.089 854 L CA -0.734 54.297 54.840 0.318 0.000 0.802 854 L CB 1.239 43.494 42.059 0.327 0.000 1.180 854 L HN 0.838 nan 8.230 nan 0.000 0.454 855 F N 1.740 121.786 119.950 0.159 0.000 2.617 855 F HA 0.512 5.039 4.527 0.001 0.000 0.325 855 F C -1.179 174.673 175.800 0.088 0.000 1.179 855 F CA -0.670 57.404 58.000 0.122 0.000 0.965 855 F CB 1.006 40.012 39.000 0.011 0.000 1.232 855 F HN 0.056 nan 8.300 nan 0.000 0.461 856 F N 4.947 124.445 119.950 -0.753 0.000 2.509 856 F HA 0.799 5.327 4.527 0.001 0.000 0.334 856 F C -0.007 175.215 175.800 -0.962 0.000 1.060 856 F CA -0.858 56.772 58.000 -0.617 0.000 0.997 856 F CB 1.751 40.565 39.000 -0.311 0.000 1.271 856 F HN 0.502 nan 8.300 nan 0.000 0.488 857 R N -0.021 120.227 120.500 -0.421 0.000 2.728 857 R HA 0.509 4.849 4.340 0.001 0.000 0.259 857 R C -2.178 173.926 176.300 -0.328 0.000 1.057 857 R CA -0.548 55.299 56.100 -0.423 0.000 0.908 857 R CB 1.740 31.779 30.300 -0.436 0.000 1.259 857 R HN 0.744 nan 8.270 nan 0.000 0.472 858 S N 2.142 117.631 115.700 -0.351 0.000 2.737 858 S HA 0.385 4.856 4.470 0.001 0.000 0.269 858 S C -0.748 173.692 174.600 -0.267 0.000 1.150 858 S CA -0.886 57.154 58.200 -0.267 0.000 1.077 858 S CB 0.275 63.415 63.200 -0.100 0.000 1.075 858 S HN 0.449 nan 8.310 nan 0.000 0.476 859 Y N 2.678 122.964 120.300 -0.023 0.000 2.158 859 Y HA 0.653 5.203 4.550 0.001 0.000 0.365 859 Y C 0.851 176.738 175.900 -0.021 0.000 1.301 859 Y CA -0.795 57.299 58.100 -0.010 0.000 1.735 859 Y CB 0.380 38.833 38.460 -0.012 0.000 1.509 859 Y HN 0.735 nan 8.280 nan 0.000 0.657 860 M N 0.713 120.424 119.600 0.184 0.000 2.755 860 M HA 0.281 4.762 4.480 0.001 0.000 0.276 860 M C -2.700 173.698 176.300 0.164 0.000 1.129 860 M CA -0.382 54.977 55.300 0.099 0.000 0.832 860 M CB 2.605 35.261 32.600 0.093 0.000 1.700 860 M HN 0.882 nan 8.290 nan 0.000 0.518 861 D N 1.346 121.861 120.400 0.191 0.000 2.683 861 D HA 0.490 5.131 4.640 0.001 0.000 0.246 861 D C -1.980 174.601 176.300 0.468 0.000 1.238 861 D CA 0.101 54.288 54.000 0.311 0.000 0.759 861 D CB 2.023 43.024 40.800 0.335 0.000 1.349 861 D HN 0.718 nan 8.370 nan 0.000 0.426 862 Q N 0.504 120.558 119.800 0.423 0.000 2.416 862 Q HA 0.396 4.737 4.340 0.001 0.000 0.281 862 Q C -0.960 175.134 176.000 0.157 0.000 1.067 862 Q CA -0.924 55.120 55.803 0.401 0.000 0.809 862 Q CB 2.429 31.358 28.738 0.318 0.000 1.418 862 Q HN 0.192 nan 8.270 nan 0.000 0.411 863 E N 1.892 122.122 120.200 0.051 0.000 2.003 863 E HA 0.085 4.436 4.350 0.001 0.000 0.279 863 E C -0.891 175.720 176.600 0.018 0.000 1.132 863 E CA -0.180 56.156 56.400 -0.108 0.000 0.888 863 E CB 0.317 29.924 29.700 -0.156 0.000 1.056 863 E HN 0.144 nan 8.360 nan 0.000 0.399 864 K N 3.500 123.928 120.400 0.047 0.000 2.351 864 K HA 0.052 4.373 4.320 0.001 0.000 0.287 864 K C 0.293 177.015 176.600 0.204 0.000 1.068 864 K CA 0.161 56.504 56.287 0.093 0.000 0.998 864 K CB 0.409 32.964 32.500 0.091 0.000 0.968 864 K HN 0.114 nan 8.250 nan 0.000 0.464 865 K N 2.426 122.918 120.400 0.154 0.000 2.098 865 K HA 0.254 4.574 4.320 0.001 0.000 0.257 865 K C -0.763 176.020 176.600 0.306 0.000 0.999 865 K CA -0.422 56.010 56.287 0.242 0.000 0.924 865 K CB 0.711 33.283 32.500 0.121 0.000 1.028 865 K HN 0.275 nan 8.250 nan 0.000 0.466 866 Y N -1.009 119.292 120.300 0.001 0.000 2.409 866 Y HA 0.218 4.769 4.550 0.001 0.000 0.343 866 Y C 1.389 177.293 175.900 0.007 0.000 0.973 866 Y CA -0.890 57.212 58.100 0.004 0.000 1.064 866 Y CB 1.632 40.093 38.460 0.002 0.000 1.207 866 Y HN 0.840 nan 8.280 nan 0.000 0.452 867 G N 2.089 110.966 108.800 0.129 0.000 2.606 867 G HA2 -0.297 3.664 3.960 0.001 0.000 0.223 867 G HA3 -0.297 3.664 3.960 0.001 0.000 0.223 867 G C 0.782 175.731 174.900 0.082 0.000 1.106 867 G CA 0.830 45.980 45.100 0.083 0.000 0.745 867 G HN 0.582 nan 8.290 nan 0.000 0.597 868 M N 1.611 121.271 119.600 0.100 0.000 3.590 868 M HA 0.275 4.756 4.480 0.001 0.000 0.214 868 M C 0.640 176.969 176.300 0.047 0.000 1.306 868 M CA -0.241 55.097 55.300 0.064 0.000 1.479 868 M CB 0.474 33.108 32.600 0.056 0.000 1.083 868 M HN 0.064 nan 8.290 nan 0.000 0.617 869 S N 1.266 116.995 115.700 0.048 0.000 3.311 869 S HA -0.170 4.301 4.470 0.001 0.000 0.373 869 S C -0.048 174.547 174.600 -0.008 0.000 0.945 869 S CA 0.663 58.880 58.200 0.027 0.000 1.238 869 S CB -1.713 61.497 63.200 0.016 0.000 0.893 869 S HN 0.625 nan 8.310 nan 0.000 0.478 870 I N 1.280 121.835 120.570 -0.024 0.000 2.390 870 I HA 0.329 4.500 4.170 0.001 0.000 0.283 870 I C 0.378 176.404 176.117 -0.153 0.000 1.016 870 I CA -0.256 60.946 61.300 -0.163 0.000 1.151 870 I CB 1.644 39.416 38.000 -0.381 0.000 1.293 870 I HN 0.018 nan 8.210 nan 0.000 0.458 871 T N 3.965 118.459 114.554 -0.101 0.000 2.930 871 T HA 0.466 4.816 4.350 0.001 0.000 0.290 871 T C -0.183 174.466 174.700 -0.086 0.000 1.052 871 T CA -0.816 61.256 62.100 -0.047 0.000 1.017 871 T CB 2.062 70.923 68.868 -0.012 0.000 1.137 871 T HN 0.436 nan 8.240 nan 0.000 0.511 872 E N 0.281 120.436 120.200 -0.075 0.000 2.302 872 E HA 0.729 5.080 4.350 0.001 0.000 0.255 872 E C -0.597 175.892 176.600 -0.186 0.000 1.099 872 E CA -0.801 55.525 56.400 -0.123 0.000 0.929 872 E CB 1.169 30.795 29.700 -0.124 0.000 1.203 872 E HN 0.461 nan 8.360 nan 0.000 0.459 873 T N 0.160 114.570 114.554 -0.240 0.000 2.840 873 T HA 0.301 4.652 4.350 0.001 0.000 0.317 873 T C -1.424 173.123 174.700 -0.254 0.000 1.401 873 T CA -0.776 61.168 62.100 -0.259 0.000 1.028 873 T CB 0.492 69.310 68.868 -0.084 0.000 1.317 873 T HN 0.269 nan 8.240 nan 0.000 0.495 874 F N 2.847 122.820 119.950 0.038 0.000 2.334 874 F HA 0.421 4.948 4.527 0.001 0.000 0.365 874 F C 1.080 176.900 175.800 0.033 0.000 1.124 874 F CA -0.616 57.407 58.000 0.037 0.000 1.166 874 F CB 0.417 39.437 39.000 0.034 0.000 1.355 874 F HN 0.534 nan 8.300 nan 0.000 0.532 875 E N 1.223 121.538 120.200 0.192 0.000 2.440 875 E HA 0.385 4.735 4.350 0.001 0.000 0.263 875 E C -1.115 175.562 176.600 0.128 0.000 0.938 875 E CA -1.356 55.120 56.400 0.125 0.000 0.831 875 E CB 1.535 31.278 29.700 0.071 0.000 1.456 875 E HN 0.225 nan 8.360 nan 0.000 0.427 876 K N 1.939 122.396 120.400 0.094 0.000 2.385 876 K HA 0.268 4.588 4.320 0.001 0.000 0.229 876 K C -2.146 174.474 176.600 0.033 0.000 1.089 876 K CA -2.130 54.221 56.287 0.107 0.000 1.060 876 K CB 0.404 32.958 32.500 0.090 0.000 1.698 876 K HN 0.362 nan 8.250 nan 0.000 0.469 877 P HA -0.074 nan 4.420 nan 0.000 0.270 877 P C -1.308 175.872 177.300 -0.200 0.000 1.221 877 P CA 0.162 63.214 63.100 -0.080 0.000 0.788 877 P CB 0.625 32.289 31.700 -0.058 0.000 0.904 878 Q N -0.823 118.876 119.800 -0.169 0.000 2.616 878 Q HA 0.367 4.708 4.340 0.001 0.000 0.254 878 Q C -0.070 175.857 176.000 -0.120 0.000 0.975 878 Q CA -0.943 54.750 55.803 -0.183 0.000 0.976 878 Q CB 0.561 29.211 28.738 -0.146 0.000 1.594 878 Q HN 0.216 nan 8.270 nan 0.000 0.425 879 R N 0.550 120.979 120.500 -0.117 0.000 3.460 879 R HA -0.239 4.102 4.340 0.001 0.000 0.602 879 R C -0.252 176.007 176.300 -0.067 0.000 0.241 879 R CA 1.898 57.950 56.100 -0.081 0.000 1.856 879 R CB -2.215 28.047 30.300 -0.063 0.000 0.839 879 R HN 1.488 nan 8.270 nan 0.000 0.630 880 T N 0.947 115.471 114.554 -0.051 0.000 4.125 880 T HA -0.176 4.174 4.350 0.001 0.000 0.357 880 T C 0.585 175.263 174.700 -0.037 0.000 0.756 880 T CA 1.127 63.202 62.100 -0.041 0.000 1.980 880 T CB -1.030 67.813 68.868 -0.042 0.000 1.834 880 T HN 0.599 nan 8.240 nan 0.000 0.876 881 N N -1.023 117.657 118.700 -0.034 0.000 3.677 881 N HA -0.226 4.515 4.740 0.001 0.000 0.233 881 N C 1.333 176.824 175.510 -0.031 0.000 0.197 881 N CA 2.197 55.229 53.050 -0.030 0.000 3.540 881 N CB -1.792 36.679 38.487 -0.026 0.000 1.234 881 N HN 0.509 nan 8.380 nan 0.000 0.250 882 T N 3.447 117.981 114.554 -0.033 0.000 2.778 882 T HA -0.010 4.341 4.350 0.001 0.000 0.269 882 T C 1.512 176.189 174.700 -0.038 0.000 1.050 882 T CA 1.709 63.790 62.100 -0.031 0.000 1.137 882 T CB -0.280 68.570 68.868 -0.030 0.000 0.860 882 T HN 0.471 nan 8.240 nan 0.000 0.468 883 L N -1.141 120.052 121.223 -0.050 0.000 4.605 883 L HA -0.238 4.102 4.340 0.001 0.000 0.441 883 L C 0.666 177.496 176.870 -0.067 0.000 1.115 883 L CA 0.428 55.230 54.840 -0.064 0.000 0.959 883 L CB -1.619 40.408 42.059 -0.055 0.000 1.867 883 L HN 0.179 nan 8.230 nan 0.000 0.980 884 R N 1.264 121.734 120.500 -0.050 0.000 4.874 884 R HA 0.281 4.621 4.340 0.001 0.000 0.173 884 R C 0.409 176.685 176.300 -0.041 0.000 2.034 884 R CA 0.533 56.610 56.100 -0.040 0.000 1.630 884 R CB -0.428 29.860 30.300 -0.020 0.000 1.372 884 R HN 0.490 nan 8.270 nan 0.000 0.843 885 M N 0.032 119.587 119.600 -0.074 0.000 2.753 885 M HA 0.319 4.800 4.480 0.001 0.000 0.299 885 M C 0.955 177.221 176.300 -0.056 0.000 1.219 885 M CA -0.739 54.528 55.300 -0.056 0.000 0.900 885 M CB 0.942 33.441 32.600 -0.169 0.000 1.628 885 M HN -0.160 nan 8.290 nan 0.000 0.502 886 K N 0.196 120.653 120.400 0.095 0.000 2.948 886 K HA 0.195 4.516 4.320 0.001 0.000 0.323 886 K C 1.059 177.577 176.600 -0.137 0.000 1.015 886 K CA 0.177 56.487 56.287 0.038 0.000 1.117 886 K CB -0.042 32.548 32.500 0.151 0.000 1.264 886 K HN 0.669 nan 8.250 nan 0.000 0.486 887 H N -1.242 117.903 119.070 0.124 0.000 2.926 887 H HA 0.159 4.715 4.556 0.001 0.000 0.249 887 H C 1.238 176.622 175.328 0.093 0.000 0.963 887 H CA 0.414 56.516 56.048 0.090 0.000 1.158 887 H CB 0.376 30.163 29.762 0.042 0.000 1.445 887 H HN 0.577 nan 8.280 nan 0.000 0.452 888 G N 0.925 109.828 108.800 0.172 0.000 2.394 888 G HA2 0.068 4.029 3.960 0.001 0.000 0.256 888 G HA3 0.068 4.029 3.960 0.001 0.000 0.256 888 G C -0.234 174.734 174.900 0.115 0.000 1.504 888 G CA 0.109 45.256 45.100 0.078 0.000 1.051 888 G HN 0.181 nan 8.290 nan 0.000 0.550 889 T N -0.462 114.113 114.554 0.035 0.000 2.807 889 T HA 0.392 4.743 4.350 0.001 0.000 0.279 889 T C -0.249 174.475 174.700 0.040 0.000 0.993 889 T CA -0.220 61.944 62.100 0.106 0.000 0.970 889 T CB 1.655 70.556 68.868 0.055 0.000 0.950 889 T HN 0.335 nan 8.240 nan 0.000 0.441 890 Y N 0.510 120.805 120.300 -0.009 0.000 2.500 890 Y HA 0.103 4.654 4.550 0.001 0.000 0.270 890 Y C 2.135 178.030 175.900 -0.008 0.000 1.134 890 Y CA -0.431 57.663 58.100 -0.010 0.000 1.293 890 Y CB -0.073 38.382 38.460 -0.008 0.000 1.063 890 Y HN 0.667 nan 8.280 nan 0.000 0.534 891 D N 0.690 121.175 120.400 0.140 0.000 2.280 891 D HA -0.198 4.442 4.640 0.001 0.000 0.206 891 D C 1.161 177.485 176.300 0.039 0.000 0.988 891 D CA 1.274 55.319 54.000 0.074 0.000 0.886 891 D CB 0.013 40.844 40.800 0.053 0.000 0.914 891 D HN 0.416 nan 8.370 nan 0.000 0.473 892 K N -0.034 120.376 120.400 0.016 0.000 2.444 892 K HA 0.149 4.469 4.320 0.001 0.000 0.193 892 K C 0.500 177.093 176.600 -0.011 0.000 1.024 892 K CA -0.067 56.215 56.287 -0.008 0.000 1.077 892 K CB 0.575 33.056 32.500 -0.032 0.000 0.833 892 K HN 0.078 nan 8.250 nan 0.000 0.517 893 L N 1.321 122.552 121.223 0.013 0.000 2.289 893 L HA 0.143 4.484 4.340 0.001 0.000 0.285 893 L C 0.145 177.033 176.870 0.030 0.000 1.049 893 L CA -0.541 54.310 54.840 0.018 0.000 0.804 893 L CB 1.334 43.427 42.059 0.057 0.000 1.195 893 L HN 0.020 nan 8.230 nan 0.000 0.428 894 D N 0.791 121.200 120.400 0.015 0.000 2.182 894 D HA -0.006 4.634 4.640 0.001 0.000 0.284 894 D C 0.391 176.710 176.300 0.032 0.000 1.152 894 D CA 0.281 54.291 54.000 0.017 0.000 1.032 894 D CB 0.477 41.280 40.800 0.004 0.000 1.140 894 D HN 0.523 nan 8.370 nan 0.000 0.505 895 D N -1.660 118.757 120.400 0.029 0.000 2.392 895 D HA 0.040 4.680 4.640 0.001 0.000 0.206 895 D C 0.492 176.823 176.300 0.051 0.000 1.046 895 D CA 0.198 54.221 54.000 0.039 0.000 0.865 895 D CB 0.100 40.918 40.800 0.031 0.000 0.969 895 D HN 0.313 nan 8.370 nan 0.000 0.509 896 D N -0.269 120.154 120.400 0.038 0.000 2.355 896 D HA 0.125 4.765 4.640 0.001 0.000 0.218 896 D C 1.286 177.623 176.300 0.060 0.000 1.004 896 D CA 0.307 54.336 54.000 0.047 0.000 0.880 896 D CB -0.185 40.620 40.800 0.009 0.000 0.911 896 D HN 0.084 nan 8.370 nan 0.000 0.528 897 G N 0.003 108.836 108.800 0.055 0.000 2.291 897 G HA2 -0.153 3.808 3.960 0.001 0.000 0.271 897 G HA3 -0.153 3.808 3.960 0.001 0.000 0.271 897 G C -0.377 174.505 174.900 -0.032 0.000 1.099 897 G CA 0.191 45.334 45.100 0.072 0.000 0.919 897 G HN 0.384 nan 8.290 nan 0.000 0.496 898 L N -1.179 120.013 121.223 -0.051 0.000 2.568 898 L HA 0.640 4.980 4.340 0.001 0.000 0.257 898 L C 0.299 177.133 176.870 -0.062 0.000 1.024 898 L CA -1.426 53.357 54.840 -0.094 0.000 0.854 898 L CB 1.882 43.861 42.059 -0.135 0.000 1.460 898 L HN 0.068 nan 8.230 nan 0.000 0.409 899 I N 1.232 121.761 120.570 -0.068 0.000 2.385 899 I HA 0.496 4.667 4.170 0.001 0.000 0.294 899 I C 0.529 176.620 176.117 -0.043 0.000 0.988 899 I CA -0.474 60.796 61.300 -0.050 0.000 1.265 899 I CB 1.712 39.679 38.000 -0.054 0.000 1.388 899 I HN 0.638 nan 8.210 nan 0.000 0.480 900 A N 7.449 130.250 122.820 -0.032 0.000 2.407 900 A HA 0.345 4.666 4.320 0.001 0.000 0.248 900 A C -1.637 175.932 177.584 -0.025 0.000 1.082 900 A CA -1.141 50.879 52.037 -0.027 0.000 0.785 900 A CB -0.086 18.903 19.000 -0.019 0.000 1.020 900 A HN 0.577 nan 8.150 nan 0.000 0.489 901 P HA -0.179 nan 4.420 nan 0.000 0.217 901 P C 1.639 178.930 177.300 -0.016 0.000 1.148 901 P CA 2.056 65.145 63.100 -0.019 0.000 0.834 901 P CB 0.151 31.843 31.700 -0.013 0.000 0.783 902 G N -0.463 108.329 108.800 -0.014 0.000 2.402 902 G HA2 -0.151 3.810 3.960 0.001 0.000 0.216 902 G HA3 -0.151 3.810 3.960 0.001 0.000 0.216 902 G C 0.385 175.277 174.900 -0.013 0.000 1.162 902 G CA 0.152 45.246 45.100 -0.011 0.000 0.777 902 G HN 0.150 nan 8.290 nan 0.000 0.539 903 V N 0.381 120.286 119.914 -0.015 0.000 2.902 903 V HA -0.043 4.077 4.120 0.001 0.000 0.297 903 V C 0.839 176.923 176.094 -0.018 0.000 1.230 903 V CA 0.485 62.775 62.300 -0.017 0.000 1.344 903 V CB 0.331 32.142 31.823 -0.021 0.000 0.889 903 V HN 0.407 nan 8.190 nan 0.000 0.515 904 R N 3.333 123.823 120.500 -0.015 0.000 2.239 904 R HA 0.528 4.868 4.340 0.001 0.000 0.332 904 R C -0.676 175.614 176.300 -0.017 0.000 0.988 904 R CA -0.500 55.592 56.100 -0.014 0.000 0.859 904 R CB 1.233 31.527 30.300 -0.010 0.000 1.148 904 R HN 0.765 nan 8.270 nan 0.000 0.482 905 V N 2.205 122.108 119.914 -0.018 0.000 2.439 905 V HA 0.589 4.709 4.120 0.001 0.000 0.282 905 V C 0.357 176.442 176.094 -0.015 0.000 1.039 905 V CA -0.175 62.111 62.300 -0.024 0.000 0.913 905 V CB 1.460 33.265 31.823 -0.030 0.000 0.983 905 V HN 0.873 nan 8.190 nan 0.000 0.460 906 S N 4.118 119.806 115.700 -0.020 0.000 4.355 906 S HA 0.649 5.120 4.470 0.001 0.000 0.201 906 S C 1.523 176.113 174.600 -0.018 0.000 1.044 906 S CA 0.159 58.350 58.200 -0.015 0.000 1.777 906 S CB -0.146 63.046 63.200 -0.013 0.000 0.797 906 S HN 1.495 nan 8.310 nan 0.000 0.774 907 G N 1.132 109.921 108.800 -0.018 0.000 3.449 907 G HA2 -0.206 3.754 3.960 0.001 0.000 0.212 907 G HA3 -0.206 3.754 3.960 0.001 0.000 0.212 907 G C 0.635 175.518 174.900 -0.028 0.000 1.072 907 G CA 1.294 46.383 45.100 -0.019 0.000 0.753 907 G HN 0.779 nan 8.290 nan 0.000 1.155 908 E N 0.903 121.083 120.200 -0.034 0.000 2.526 908 E HA 0.144 4.495 4.350 0.001 0.000 0.208 908 E C -0.422 176.123 176.600 -0.091 0.000 0.997 908 E CA 0.005 56.374 56.400 -0.052 0.000 0.961 908 E CB 0.244 29.928 29.700 -0.027 0.000 1.030 908 E HN 0.605 nan 8.360 nan 0.000 0.483 909 D N 0.887 121.233 120.400 -0.089 0.000 2.631 909 D HA -0.133 4.507 4.640 0.001 0.000 0.225 909 D C 0.438 176.605 176.300 -0.222 0.000 1.189 909 D CA 0.211 54.131 54.000 -0.134 0.000 0.871 909 D CB 0.456 41.197 40.800 -0.098 0.000 1.224 909 D HN -0.235 nan 8.370 nan 0.000 0.510 910 V N 0.916 120.624 119.914 -0.344 0.000 3.441 910 V HA 0.154 4.274 4.120 0.001 0.000 0.300 910 V C 1.452 177.378 176.094 -0.279 0.000 1.091 910 V CA 0.063 62.119 62.300 -0.406 0.000 1.099 910 V CB 0.495 31.895 31.823 -0.705 0.000 1.138 910 V HN 0.627 nan 8.190 nan 0.000 0.471 911 I N 0.169 120.588 120.570 -0.252 0.000 4.661 911 I HA 0.375 4.545 4.170 0.001 0.000 0.372 911 I C -0.369 175.662 176.117 -0.145 0.000 1.209 911 I CA 0.465 61.649 61.300 -0.194 0.000 1.313 911 I CB 0.612 38.458 38.000 -0.256 0.000 1.949 911 I HN 0.314 nan 8.210 nan 0.000 0.651 912 I N 0.837 121.334 120.570 -0.123 0.000 2.710 912 I HA 0.370 4.541 4.170 0.001 0.000 0.290 912 I C -0.506 175.647 176.117 0.059 0.000 1.318 912 I CA -0.529 60.752 61.300 -0.033 0.000 1.045 912 I CB 2.359 40.364 38.000 0.009 0.000 1.307 912 I HN -0.022 nan 8.210 nan 0.000 0.424 913 G N 5.801 114.700 108.800 0.166 0.000 2.873 913 G HA2 0.417 4.378 3.960 0.001 0.000 0.340 913 G HA3 0.417 4.378 3.960 0.001 0.000 0.340 913 G C -0.829 174.265 174.900 0.323 0.000 1.171 913 G CA -0.342 44.898 45.100 0.234 0.000 1.113 913 G HN 0.501 nan 8.290 nan 0.000 0.471 914 K N 1.330 121.881 120.400 0.251 0.000 2.208 914 K HA 0.768 5.088 4.320 0.001 0.000 0.247 914 K C -0.519 176.100 176.600 0.032 0.000 0.953 914 K CA -0.518 55.827 56.287 0.097 0.000 0.837 914 K CB 1.708 34.251 32.500 0.071 0.000 1.131 914 K HN 0.456 nan 8.250 nan 0.000 0.431 915 T N -0.895 113.630 114.554 -0.048 0.000 2.916 915 T HA 0.362 4.712 4.350 0.001 0.000 0.305 915 T C -0.834 173.831 174.700 -0.057 0.000 1.119 915 T CA -0.807 61.275 62.100 -0.030 0.000 1.008 915 T CB 1.688 70.544 68.868 -0.020 0.000 1.129 915 T HN 0.365 nan 8.240 nan 0.000 0.480 916 T N 4.546 119.077 114.554 -0.039 0.000 2.791 916 T HA 0.583 4.934 4.350 0.001 0.000 0.288 916 T C -2.742 171.919 174.700 -0.065 0.000 0.999 916 T CA -1.235 60.835 62.100 -0.050 0.000 0.952 916 T CB 1.469 70.328 68.868 -0.015 0.000 0.938 916 T HN 0.539 nan 8.240 nan 0.000 0.444 917 P HA 0.560 nan 4.420 nan 0.000 0.292 917 P C -0.986 176.242 177.300 -0.120 0.000 1.326 917 P CA -0.415 62.627 63.100 -0.097 0.000 0.787 917 P CB 0.797 32.436 31.700 -0.102 0.000 0.903 918 I N 2.509 123.030 120.570 -0.082 0.000 2.644 918 I HA 0.273 4.444 4.170 0.001 0.000 0.291 918 I C 0.146 176.235 176.117 -0.047 0.000 1.180 918 I CA -0.349 60.907 61.300 -0.074 0.000 1.040 918 I CB 2.536 40.505 38.000 -0.052 0.000 1.255 918 I HN 0.397 nan 8.210 nan 0.000 0.422 934 K N 3.301 123.680 120.400 -0.036 0.000 2.244 934 K HA 0.385 4.706 4.320 0.001 0.000 0.263 934 K C -0.461 176.119 176.600 -0.034 0.000 1.103 934 K CA -0.328 55.937 56.287 -0.037 0.000 0.966 934 K CB 0.699 33.174 32.500 -0.042 0.000 1.429 934 K HN 0.527 nan 8.250 nan 0.000 0.434 935 R N 1.387 121.872 120.500 -0.025 0.000 2.255 935 R HA 0.203 4.543 4.340 0.001 0.000 0.326 935 R C -0.561 175.738 176.300 -0.002 0.000 0.986 935 R CA -0.831 55.260 56.100 -0.015 0.000 0.847 935 R CB 1.001 31.296 30.300 -0.009 0.000 1.111 935 R HN 0.302 nan 8.270 nan 0.000 0.452 936 D N 3.335 123.741 120.400 0.009 0.000 2.348 936 D HA 0.075 4.716 4.640 0.001 0.000 0.253 936 D C -0.267 176.066 176.300 0.056 0.000 1.161 936 D CA -0.048 53.979 54.000 0.045 0.000 0.876 936 D CB 1.478 42.322 40.800 0.073 0.000 1.160 936 D HN 0.752 nan 8.370 nan 0.000 0.459 937 A N 3.314 126.172 122.820 0.063 0.000 2.594 937 A HA 0.214 4.535 4.320 0.001 0.000 0.287 937 A C 0.607 178.243 177.584 0.086 0.000 1.227 937 A CA -0.472 51.602 52.037 0.062 0.000 0.952 937 A CB 0.145 19.170 19.000 0.043 0.000 1.161 937 A HN 0.421 nan 8.150 nan 0.000 0.524 938 S N 1.195 116.956 115.700 0.102 0.000 2.560 938 S HA 0.280 4.751 4.470 0.001 0.000 0.284 938 S C 0.382 174.991 174.600 0.016 0.000 1.327 938 S CA 0.366 58.616 58.200 0.084 0.000 1.055 938 S CB 0.502 63.765 63.200 0.104 0.000 0.868 938 S HN 0.485 nan 8.310 nan 0.000 0.506 939 T N 5.964 120.504 114.554 -0.024 0.000 2.753 939 T HA 0.424 4.774 4.350 0.001 0.000 0.297 939 T C -2.303 172.265 174.700 -0.219 0.000 0.981 939 T CA -1.179 60.867 62.100 -0.089 0.000 0.956 939 T CB 1.095 69.924 68.868 -0.064 0.000 0.936 939 T HN 0.406 nan 8.240 nan 0.000 0.463 940 P HA 0.411 nan 4.420 nan 0.000 0.283 940 P C -0.322 176.753 177.300 -0.374 0.000 1.278 940 P CA -0.895 62.049 63.100 -0.260 0.000 0.834 940 P CB 1.090 32.700 31.700 -0.150 0.000 1.150 941 L N 1.208 122.245 121.223 -0.311 0.000 2.472 941 L HA 0.196 4.536 4.340 0.001 0.000 0.260 941 L C 0.962 177.776 176.870 -0.093 0.000 1.209 941 L CA -0.053 54.617 54.840 -0.285 0.000 0.817 941 L CB -0.186 41.800 42.059 -0.122 0.000 1.106 941 L HN 0.257 nan 8.230 nan 0.000 0.479 942 R N 1.791 122.344 120.500 0.088 0.000 2.387 942 R HA 0.015 4.355 4.340 0.001 0.000 0.321 942 R C 1.478 177.806 176.300 0.046 0.000 1.174 942 R CA 0.779 56.950 56.100 0.119 0.000 1.002 942 R CB -0.116 30.311 30.300 0.213 0.000 1.028 942 R HN 1.033 nan 8.270 nan 0.000 0.482 943 S N 1.825 117.531 115.700 0.010 0.000 2.736 943 S HA -0.367 4.103 4.470 0.001 0.000 0.347 943 S C 1.601 176.195 174.600 -0.010 0.000 1.380 943 S CA 2.734 60.930 58.200 -0.007 0.000 1.092 943 S CB -0.752 62.440 63.200 -0.014 0.000 1.167 943 S HN 0.691 nan 8.310 nan 0.000 0.444 944 T N -0.317 114.230 114.554 -0.012 0.000 2.953 944 T HA 0.266 4.617 4.350 0.001 0.000 0.247 944 T C 0.789 175.475 174.700 -0.023 0.000 1.029 944 T CA 0.286 62.371 62.100 -0.025 0.000 1.144 944 T CB -0.495 68.346 68.868 -0.046 0.000 0.870 944 T HN 0.626 nan 8.240 nan 0.000 0.446 945 E N 2.926 123.122 120.200 -0.008 0.000 2.438 945 E HA 0.278 4.628 4.350 0.001 0.000 0.261 945 E C -0.221 176.397 176.600 0.030 0.000 1.103 945 E CA 0.135 56.539 56.400 0.007 0.000 0.959 945 E CB 0.177 29.922 29.700 0.075 0.000 0.958 945 E HN 0.639 nan 8.360 nan 0.000 0.447 946 N N -0.002 118.717 118.700 0.032 0.000 4.091 946 N HA 0.216 4.957 4.740 0.001 0.000 0.196 946 N C -0.714 174.808 175.510 0.020 0.000 1.048 946 N CA -0.013 53.053 53.050 0.028 0.000 1.120 946 N CB 0.671 39.160 38.487 0.004 0.000 1.637 946 N HN 0.568 nan 8.380 nan 0.000 0.727 947 G N 0.917 109.728 108.800 0.019 0.000 3.349 947 G HA2 0.528 4.489 3.960 0.001 0.000 0.155 947 G HA3 0.528 4.489 3.960 0.001 0.000 0.155 947 G C -1.449 173.444 174.900 -0.011 0.000 1.219 947 G CA -0.398 44.703 45.100 0.002 0.000 1.356 947 G HN 0.554 nan 8.290 nan 0.000 0.687 948 I N 0.964 121.515 120.570 -0.032 0.000 2.647 948 I HA 0.450 4.621 4.170 0.001 0.000 0.295 948 I C -0.015 176.071 176.117 -0.051 0.000 1.078 948 I CA -1.118 60.160 61.300 -0.037 0.000 1.048 948 I CB 2.513 40.489 38.000 -0.040 0.000 1.239 948 I HN 0.172 nan 8.210 nan 0.000 0.421 949 V N 3.360 123.253 119.914 -0.035 0.000 2.901 949 V HA -0.060 4.060 4.120 0.001 0.000 0.307 949 V C 0.429 176.493 176.094 -0.050 0.000 1.084 949 V CA 0.694 62.974 62.300 -0.033 0.000 1.184 949 V CB 0.965 32.773 31.823 -0.026 0.000 0.941 949 V HN 0.931 nan 8.190 nan 0.000 0.493 950 D N 0.588 120.956 120.400 -0.054 0.000 2.531 950 D HA 0.147 4.788 4.640 0.001 0.000 0.263 950 D C 0.388 176.691 176.300 0.005 0.000 1.057 950 D CA 0.265 54.236 54.000 -0.048 0.000 0.909 950 D CB 0.638 41.364 40.800 -0.123 0.000 1.236 950 D HN 0.614 nan 8.370 nan 0.000 0.494 951 Q N 0.413 120.216 119.800 0.005 0.000 2.593 951 Q HA 0.301 4.641 4.340 0.001 0.000 0.242 951 Q C -2.237 173.757 176.000 -0.011 0.000 0.944 951 Q CA -0.482 55.326 55.803 0.009 0.000 1.041 951 Q CB 1.502 30.264 28.738 0.040 0.000 1.588 951 Q HN -0.048 nan 8.270 nan 0.000 0.464 952 V N 4.760 124.655 119.914 -0.031 0.000 2.604 952 V HA 0.663 4.783 4.120 0.001 0.000 0.305 952 V C -0.258 175.792 176.094 -0.073 0.000 1.043 952 V CA -0.765 61.498 62.300 -0.061 0.000 0.888 952 V CB 1.701 33.480 31.823 -0.074 0.000 0.995 952 V HN 0.673 nan 8.190 nan 0.000 0.429 953 L N 2.880 124.040 121.223 -0.105 0.000 2.408 953 L HA 0.931 5.272 4.340 0.001 0.000 0.268 953 L C -1.358 175.425 176.870 -0.144 0.000 0.986 953 L CA -0.716 54.063 54.840 -0.101 0.000 0.820 953 L CB 2.212 44.226 42.059 -0.076 0.000 1.303 953 L HN 0.351 nan 8.230 nan 0.000 0.411 954 V N 2.706 122.562 119.914 -0.098 0.000 2.398 954 V HA 0.691 4.812 4.120 0.001 0.000 0.286 954 V C 0.165 176.255 176.094 -0.007 0.000 1.026 954 V CA 0.112 62.363 62.300 -0.083 0.000 0.868 954 V CB 1.732 33.519 31.823 -0.061 0.000 0.982 954 V HN 1.038 nan 8.190 nan 0.000 0.443 955 T N 2.347 116.930 114.554 0.049 0.000 2.812 955 T HA 0.429 4.780 4.350 0.001 0.000 0.294 955 T C -0.208 174.625 174.700 0.222 0.000 1.159 955 T CA -0.476 61.708 62.100 0.140 0.000 1.008 955 T CB 2.061 71.042 68.868 0.188 0.000 1.289 955 T HN 0.597 nan 8.240 nan 0.000 0.514 956 T N 2.354 117.025 114.554 0.195 0.000 2.899 956 T HA 0.456 4.806 4.350 0.001 0.000 0.284 956 T C 0.105 174.908 174.700 0.171 0.000 1.004 956 T CA -0.554 61.648 62.100 0.170 0.000 1.043 956 T CB 0.677 69.613 68.868 0.114 0.000 1.013 956 T HN 0.509 nan 8.240 nan 0.000 0.518 957 N N 0.031 118.797 118.700 0.109 0.000 2.477 957 N HA 0.168 4.908 4.740 0.001 0.000 0.284 957 N C 1.039 176.557 175.510 0.013 0.000 1.182 957 N CA -0.539 52.517 53.050 0.009 0.000 0.949 957 N CB 1.001 39.489 38.487 0.003 0.000 1.204 957 N HN 0.489 nan 8.380 nan 0.000 0.526 958 Q N -0.352 119.437 119.800 -0.019 0.000 2.368 958 Q HA -0.086 4.255 4.340 0.001 0.000 0.210 958 Q C -0.438 175.573 176.000 0.018 0.000 0.982 958 Q CA 1.058 56.865 55.803 0.007 0.000 0.884 958 Q CB 0.142 28.880 28.738 -0.001 0.000 0.933 958 Q HN 0.598 nan 8.270 nan 0.000 0.460 959 D N -0.674 119.735 120.400 0.015 0.000 2.525 959 D HA 0.117 4.758 4.640 0.001 0.000 0.229 959 D C 0.368 176.693 176.300 0.040 0.000 1.202 959 D CA 0.167 54.182 54.000 0.025 0.000 0.828 959 D CB 0.575 41.385 40.800 0.017 0.000 1.008 959 D HN 0.269 nan 8.370 nan 0.000 0.493 960 G N 1.610 110.439 108.800 0.049 0.000 2.356 960 G HA2 -0.289 3.672 3.960 0.001 0.000 0.296 960 G HA3 -0.289 3.672 3.960 0.001 0.000 0.296 960 G C 0.146 175.093 174.900 0.079 0.000 1.022 960 G CA 0.277 45.415 45.100 0.064 0.000 0.961 960 G HN 0.334 nan 8.290 nan 0.000 0.510 961 L N -1.126 120.154 121.223 0.095 0.000 2.334 961 L HA 0.464 4.804 4.340 0.001 0.000 0.273 961 L C 0.849 177.838 176.870 0.198 0.000 1.013 961 L CA -1.082 53.832 54.840 0.123 0.000 0.816 961 L CB 1.577 43.700 42.059 0.105 0.000 1.278 961 L HN -0.011 nan 8.230 nan 0.000 0.431 962 K N 2.455 122.998 120.400 0.238 0.000 2.237 962 K HA 0.109 4.430 4.320 0.001 0.000 0.283 962 K C -0.851 176.040 176.600 0.484 0.000 1.080 962 K CA -0.016 56.479 56.287 0.347 0.000 0.965 962 K CB -0.022 32.737 32.500 0.432 0.000 1.098 962 K HN 0.211 nan 8.250 nan 0.000 0.434 963 F N 4.161 124.224 119.950 0.188 0.000 2.411 963 F HA 0.286 4.814 4.527 0.001 0.000 0.355 963 F C -0.602 175.248 175.800 0.082 0.000 1.117 963 F CA -0.847 57.245 58.000 0.153 0.000 1.139 963 F CB 0.676 39.739 39.000 0.105 0.000 1.120 963 F HN 0.019 nan 8.300 nan 0.000 0.493 964 V N 6.197 125.923 119.914 -0.315 0.000 2.709 964 V HA 0.469 4.590 4.120 0.001 0.000 0.308 964 V C -0.827 174.972 176.094 -0.492 0.000 1.062 964 V CA -1.146 60.880 62.300 -0.457 0.000 0.901 964 V CB 2.236 33.792 31.823 -0.444 0.000 1.003 964 V HN 0.620 nan 8.190 nan 0.000 0.425 965 K N 2.842 122.984 120.400 -0.429 0.000 2.463 965 K HA 0.743 5.064 4.320 0.001 0.000 0.255 965 K C -1.435 175.077 176.600 -0.146 0.000 0.942 965 K CA -0.604 55.520 56.287 -0.271 0.000 0.814 965 K CB 2.495 34.825 32.500 -0.283 0.000 1.122 965 K HN 0.462 nan 8.250 nan 0.000 0.425 966 V N 2.845 122.725 119.914 -0.056 0.000 2.547 966 V HA 0.488 4.609 4.120 0.001 0.000 0.299 966 V C -0.165 175.946 176.094 0.029 0.000 1.040 966 V CA -0.917 61.377 62.300 -0.010 0.000 0.913 966 V CB 1.663 33.502 31.823 0.026 0.000 0.992 966 V HN 0.692 nan 8.190 nan 0.000 0.449 967 R N 2.573 123.078 120.500 0.010 0.000 2.534 967 R HA 0.770 5.110 4.340 0.001 0.000 0.301 967 R C -1.899 174.377 176.300 -0.039 0.000 0.961 967 R CA -0.421 55.672 56.100 -0.011 0.000 0.871 967 R CB 2.090 32.410 30.300 0.032 0.000 1.170 967 R HN 0.555 nan 8.270 nan 0.000 0.446 968 V N 4.671 124.533 119.914 -0.088 0.000 2.459 968 V HA 0.500 4.621 4.120 0.001 0.000 0.295 968 V C -0.063 175.842 176.094 -0.315 0.000 1.029 968 V CA -0.828 61.404 62.300 -0.113 0.000 0.874 968 V CB 1.563 33.398 31.823 0.021 0.000 0.985 968 V HN 0.683 nan 8.190 nan 0.000 0.438 969 R N 2.587 122.857 120.500 -0.383 0.000 2.460 969 R HA 0.709 5.049 4.340 0.001 0.000 0.303 969 R C -1.083 175.060 176.300 -0.262 0.000 0.968 969 R CA -0.115 55.602 56.100 -0.638 0.000 0.889 969 R CB 1.812 31.674 30.300 -0.730 0.000 1.123 969 R HN 0.808 nan 8.270 nan 0.000 0.455 970 T N 1.808 116.271 114.554 -0.152 0.000 2.909 970 T HA 0.307 4.657 4.350 0.001 0.000 0.299 970 T C -1.055 173.695 174.700 0.082 0.000 1.073 970 T CA -0.444 61.670 62.100 0.023 0.000 0.999 970 T CB 1.951 70.899 68.868 0.133 0.000 1.098 970 T HN 0.450 nan 8.240 nan 0.000 0.477 971 T N 3.317 117.919 114.554 0.080 0.000 2.842 971 T HA 0.351 4.702 4.350 0.001 0.000 0.308 971 T C -0.239 174.476 174.700 0.025 0.000 1.041 971 T CA -0.683 61.487 62.100 0.118 0.000 0.964 971 T CB 0.321 69.297 68.868 0.180 0.000 0.972 971 T HN 0.314 nan 8.240 nan 0.000 0.460 972 K N 3.450 123.856 120.400 0.010 0.000 2.258 972 K HA 0.478 4.799 4.320 0.001 0.000 0.284 972 K C -0.171 176.376 176.600 -0.088 0.000 1.051 972 K CA -0.389 55.867 56.287 -0.053 0.000 0.923 972 K CB 1.258 33.714 32.500 -0.073 0.000 1.046 972 K HN 0.513 nan 8.250 nan 0.000 0.474 973 I N 5.085 125.601 120.570 -0.090 0.000 2.488 973 I HA 0.208 4.378 4.170 0.001 0.000 0.299 973 I C -1.825 174.263 176.117 -0.049 0.000 0.984 973 I CA -2.570 58.676 61.300 -0.090 0.000 1.250 973 I CB 1.480 39.432 38.000 -0.080 0.000 1.389 973 I HN 0.402 nan 8.210 nan 0.000 0.488 974 P HA 0.021 nan 4.420 nan 0.000 0.265 974 P C -1.075 176.228 177.300 0.005 0.000 1.222 974 P CA 0.132 63.264 63.100 0.054 0.000 0.767 974 P CB 0.869 32.715 31.700 0.242 0.000 0.801 975 Q N 2.688 122.454 119.800 -0.058 0.000 2.385 975 Q HA 0.333 4.673 4.340 0.001 0.000 0.262 975 Q C 1.390 177.347 176.000 -0.073 0.000 1.050 975 Q CA -0.897 54.870 55.803 -0.060 0.000 0.903 975 Q CB 1.336 30.027 28.738 -0.079 0.000 1.325 975 Q HN 0.243 nan 8.270 nan 0.000 0.485 976 I N 0.506 121.040 120.570 -0.060 0.000 2.335 976 I HA -0.195 3.975 4.170 0.001 0.000 0.251 976 I C 1.703 177.766 176.117 -0.090 0.000 1.129 976 I CA 1.542 62.808 61.300 -0.057 0.000 1.402 976 I CB -0.393 37.583 38.000 -0.040 0.000 1.069 976 I HN 0.866 nan 8.210 nan 0.000 0.424 977 G N -0.034 108.698 108.800 -0.113 0.000 2.453 977 G HA2 -0.098 3.863 3.960 0.001 0.000 0.215 977 G HA3 -0.098 3.863 3.960 0.001 0.000 0.215 977 G C 0.304 175.081 174.900 -0.205 0.000 1.147 977 G CA -0.071 44.947 45.100 -0.137 0.000 0.802 977 G HN 0.289 nan 8.290 nan 0.000 0.535 978 D N 0.061 120.300 120.400 -0.269 0.000 2.461 978 D HA 0.216 4.856 4.640 0.001 0.000 0.231 978 D C 0.451 176.400 176.300 -0.585 0.000 1.208 978 D CA 0.793 54.533 54.000 -0.434 0.000 0.879 978 D CB 0.716 41.195 40.800 -0.536 0.000 1.220 978 D HN 0.177 nan 8.370 nan 0.000 0.480 979 K N 0.603 120.604 120.400 -0.665 0.000 2.203 979 K HA 0.630 4.951 4.320 0.001 0.000 0.251 979 K C -1.283 174.819 176.600 -0.831 0.000 0.944 979 K CA -0.578 55.365 56.287 -0.573 0.000 0.829 979 K CB 0.913 33.247 32.500 -0.277 0.000 1.125 979 K HN 0.388 nan 8.250 nan 0.000 0.430 980 F N 0.461 120.246 119.950 -0.274 0.000 2.685 980 F HA 0.723 5.251 4.527 0.001 0.000 0.315 980 F C -0.676 174.928 175.800 -0.326 0.000 1.126 980 F CA -1.055 56.711 58.000 -0.389 0.000 0.950 980 F CB 2.570 41.212 39.000 -0.597 0.000 1.360 980 F HN 0.634 nan 8.300 nan 0.000 0.469 981 A N 0.662 123.427 122.820 -0.091 0.000 2.599 981 A HA 0.589 4.910 4.320 0.001 0.000 0.294 981 A C -0.603 177.111 177.584 0.218 0.000 1.055 981 A CA -0.237 51.797 52.037 -0.005 0.000 0.683 981 A CB 1.046 20.076 19.000 0.051 0.000 1.278 981 A HN 0.896 nan 8.150 nan 0.000 0.412 982 S N 0.968 116.954 115.700 0.477 0.000 2.305 982 S HA 0.441 4.912 4.470 0.001 0.000 0.239 982 S C 0.599 175.259 174.600 0.100 0.000 1.259 982 S CA 0.283 58.743 58.200 0.434 0.000 0.998 982 S CB 0.123 63.546 63.200 0.372 0.000 0.967 982 S HN 0.711 nan 8.310 nan 0.000 0.469 983 R N -0.186 120.220 120.500 -0.158 0.000 2.629 983 R HA 0.334 4.674 4.340 0.001 0.000 0.386 983 R C -0.216 175.844 176.300 -0.400 0.000 1.071 983 R CA -0.148 55.790 56.100 -0.269 0.000 1.104 983 R CB 0.210 30.322 30.300 -0.314 0.000 1.370 983 R HN 0.589 nan 8.270 nan 0.000 0.574 984 H N -0.445 118.696 119.070 0.118 0.000 2.549 984 H HA 0.237 4.794 4.556 0.001 0.000 0.253 984 H C 0.642 176.049 175.328 0.131 0.000 1.170 984 H CA -0.035 56.084 56.048 0.119 0.000 0.943 984 H CB 1.058 30.917 29.762 0.161 0.000 1.849 984 H HN 0.372 nan 8.280 nan 0.000 0.603 985 G N 2.188 111.116 108.800 0.213 0.000 2.338 985 G HA2 -0.315 3.645 3.960 0.001 0.000 0.296 985 G HA3 -0.315 3.645 3.960 0.001 0.000 0.296 985 G C 0.400 175.441 174.900 0.234 0.000 1.040 985 G CA 0.264 45.510 45.100 0.243 0.000 1.004 985 G HN 0.366 nan 8.290 nan 0.000 0.509 986 Q N 0.144 120.086 119.800 0.237 0.000 2.302 986 Q HA 0.263 4.604 4.340 0.001 0.000 0.332 986 Q C 1.237 177.327 176.000 0.151 0.000 0.913 986 Q CA -0.243 55.696 55.803 0.227 0.000 1.098 986 Q CB 0.010 28.965 28.738 0.362 0.000 1.236 986 Q HN 0.799 nan 8.270 nan 0.000 0.436 987 K N -0.971 119.496 120.400 0.112 0.000 2.559 987 K HA 0.317 4.638 4.320 0.001 0.000 0.279 987 K C 0.091 176.703 176.600 0.019 0.000 0.967 987 K CA 0.693 57.008 56.287 0.046 0.000 1.000 987 K CB 0.254 32.773 32.500 0.031 0.000 0.890 987 K HN 0.234 nan 8.250 nan 0.000 0.501 988 G N 1.148 109.933 108.800 -0.026 0.000 2.443 988 G HA2 0.276 4.236 3.960 0.001 0.000 0.303 988 G HA3 0.276 4.236 3.960 0.001 0.000 0.303 988 G C -0.965 173.886 174.900 -0.082 0.000 1.613 988 G CA -0.573 44.504 45.100 -0.038 0.000 0.879 988 G HN 0.817 nan 8.290 nan 0.000 0.632 989 T N -0.549 113.953 114.554 -0.087 0.000 2.936 989 T HA 0.767 5.117 4.350 0.001 0.000 0.282 989 T C 0.948 175.601 174.700 -0.077 0.000 1.003 989 T CA -0.765 61.254 62.100 -0.134 0.000 1.005 989 T CB 1.310 70.097 68.868 -0.136 0.000 1.097 989 T HN 0.522 nan 8.240 nan 0.000 0.532 990 I N 0.502 121.013 120.570 -0.098 0.000 3.194 990 I HA 0.400 4.570 4.170 0.001 0.000 0.283 990 I C 1.574 177.690 176.117 -0.000 0.000 1.199 990 I CA 0.165 61.458 61.300 -0.012 0.000 1.328 990 I CB 0.484 38.472 38.000 -0.019 0.000 1.404 990 I HN 0.990 nan 8.210 nan 0.000 0.618 991 G N 2.914 111.746 108.800 0.054 0.000 2.735 991 G HA2 0.338 4.299 3.960 0.001 0.000 0.204 991 G HA3 0.338 4.299 3.960 0.001 0.000 0.204 991 G C -0.136 174.837 174.900 0.123 0.000 1.218 991 G CA 0.209 45.358 45.100 0.082 0.000 0.612 991 G HN 0.484 nan 8.290 nan 0.000 0.913 992 I N 1.580 122.209 120.570 0.099 0.000 2.785 992 I HA 0.412 4.582 4.170 0.001 0.000 0.293 992 I C -1.011 175.036 176.117 -0.116 0.000 1.446 992 I CA -0.754 60.524 61.300 -0.035 0.000 1.028 992 I CB 2.298 40.217 38.000 -0.135 0.000 1.349 992 I HN 0.199 nan 8.210 nan 0.000 0.438 993 T N 2.724 117.193 114.554 -0.142 0.000 2.875 993 T HA 0.612 4.962 4.350 0.001 0.000 0.284 993 T C -0.779 173.834 174.700 -0.144 0.000 0.995 993 T CA -0.111 61.956 62.100 -0.054 0.000 1.060 993 T CB 1.268 70.133 68.868 -0.005 0.000 0.967 993 T HN 0.512 nan 8.240 nan 0.000 0.476 994 Y N 0.310 120.647 120.300 0.062 0.000 2.857 994 Y HA 0.728 5.279 4.550 0.001 0.000 0.318 994 Y C 0.752 176.700 175.900 0.079 0.000 1.313 994 Y CA -1.577 56.564 58.100 0.069 0.000 1.117 994 Y CB 2.128 40.645 38.460 0.096 0.000 1.344 994 Y HN 0.550 nan 8.280 nan 0.000 0.525 995 R N -0.592 120.099 120.500 0.318 0.000 2.836 995 R HA 0.410 4.751 4.340 0.001 0.000 0.269 995 R C 0.587 176.987 176.300 0.166 0.000 1.010 995 R CA -0.959 55.256 56.100 0.191 0.000 0.930 995 R CB 1.682 32.068 30.300 0.144 0.000 1.218 995 R HN 0.612 nan 8.270 nan 0.000 0.473 996 R N 0.798 121.374 120.500 0.126 0.000 2.204 996 R HA -0.256 4.085 4.340 0.001 0.000 0.253 996 R C 0.953 177.325 176.300 0.121 0.000 1.172 996 R CA 1.798 57.965 56.100 0.111 0.000 0.994 996 R CB -0.126 30.214 30.300 0.066 0.000 0.874 996 R HN 0.526 nan 8.270 nan 0.000 0.462 997 E N 0.625 120.896 120.200 0.119 0.000 1.998 997 E HA -0.136 4.215 4.350 0.001 0.000 0.195 997 E C 1.673 178.390 176.600 0.195 0.000 0.994 997 E CA 1.385 57.863 56.400 0.130 0.000 0.835 997 E CB -0.301 29.461 29.700 0.103 0.000 0.786 997 E HN 0.230 nan 8.360 nan 0.000 0.467 998 D N 0.215 120.734 120.400 0.199 0.000 2.182 998 D HA -0.141 4.499 4.640 0.001 0.000 0.201 998 D C 0.789 177.175 176.300 0.144 0.000 0.986 998 D CA 0.601 54.741 54.000 0.233 0.000 0.847 998 D CB -0.224 40.697 40.800 0.203 0.000 0.942 998 D HN 0.131 nan 8.370 nan 0.000 0.467 999 M N 2.070 121.748 119.600 0.131 0.000 2.249 999 M HA 0.082 4.562 4.480 0.001 0.000 0.340 999 M C -2.335 174.043 176.300 0.130 0.000 1.166 999 M CA -1.083 54.283 55.300 0.111 0.000 1.115 999 M CB 0.820 33.499 32.600 0.132 0.000 1.606 999 M HN -0.231 nan 8.290 nan 0.000 0.448 1000 P HA 0.236 nan 4.420 nan 0.000 0.280 1000 P C -1.573 175.703 177.300 -0.041 0.000 1.244 1000 P CA -0.110 62.825 63.100 -0.275 0.000 0.784 1000 P CB 0.237 31.448 31.700 -0.816 0.000 0.913 1001 F N -0.749 119.193 119.950 -0.013 0.000 2.640 1001 F HA 0.752 5.280 4.527 0.001 0.000 0.324 1001 F C -0.598 175.183 175.800 -0.032 0.000 1.077 1001 F CA -1.319 56.666 58.000 -0.026 0.000 0.965 1001 F CB 1.238 40.227 39.000 -0.019 0.000 1.351 1001 F HN 0.269 nan 8.300 nan 0.000 0.487 1002 T N 0.844 115.474 114.554 0.126 0.000 2.770 1002 T HA 0.536 4.887 4.350 0.001 0.000 0.283 1002 T C 1.054 175.850 174.700 0.159 0.000 0.988 1002 T CA -0.036 62.083 62.100 0.032 0.000 0.957 1002 T CB 1.046 69.744 68.868 -0.282 0.000 0.930 1002 T HN 1.433 nan 8.240 nan 0.000 0.443 1003 A N 4.088 127.008 122.820 0.165 0.000 2.000 1003 A HA -0.289 4.031 4.320 0.001 0.000 0.235 1003 A C 1.838 179.430 177.584 0.012 0.000 1.669 1003 A CA 2.719 54.780 52.037 0.041 0.000 0.728 1003 A CB -1.206 17.822 19.000 0.048 0.000 0.836 1003 A HN 0.961 nan 8.150 nan 0.000 0.534 1004 E N -1.427 118.792 120.200 0.032 0.000 2.515 1004 E HA 0.201 4.551 4.350 0.001 0.000 0.201 1004 E C 1.536 178.133 176.600 -0.006 0.000 1.071 1004 E CA 0.455 56.868 56.400 0.022 0.000 0.880 1004 E CB -0.325 29.417 29.700 0.070 0.000 0.828 1004 E HN 0.959 nan 8.360 nan 0.000 0.540 1005 G N 2.030 110.819 108.800 -0.018 0.000 4.165 1005 G HA2 -0.347 3.614 3.960 0.001 0.000 0.211 1005 G HA3 -0.347 3.614 3.960 0.001 0.000 0.211 1005 G C 0.547 175.453 174.900 0.010 0.000 1.469 1005 G CA -0.119 44.947 45.100 -0.057 0.000 0.964 1005 G HN 0.397 nan 8.290 nan 0.000 0.613 1006 I N 0.471 121.049 120.570 0.014 0.000 3.383 1006 I HA 0.168 4.339 4.170 0.001 0.000 0.345 1006 I C 0.454 176.635 176.117 0.107 0.000 1.097 1006 I CA 0.367 61.697 61.300 0.050 0.000 1.828 1006 I CB -0.418 37.573 38.000 -0.015 0.000 1.148 1006 I HN 0.626 nan 8.210 nan 0.000 0.428 1007 V N 7.232 127.300 119.914 0.257 0.000 2.962 1007 V HA 0.668 4.788 4.120 0.001 0.000 0.313 1007 V C -2.106 174.232 176.094 0.407 0.000 1.099 1007 V CA -1.809 60.698 62.300 0.345 0.000 0.971 1007 V CB 2.524 34.478 31.823 0.220 0.000 1.028 1007 V HN 0.857 nan 8.190 nan 0.000 0.430 1008 P HA 0.291 nan 4.420 nan 0.000 0.275 1008 P C -0.648 176.687 177.300 0.059 0.000 1.228 1008 P CA 0.038 63.159 63.100 0.036 0.000 0.786 1008 P CB 1.169 32.832 31.700 -0.062 0.000 0.927 1009 D N 0.564 120.978 120.400 0.025 0.000 2.262 1009 D HA 0.074 4.714 4.640 0.001 0.000 0.212 1009 D C 0.731 177.092 176.300 0.103 0.000 0.964 1009 D CA 0.992 55.040 54.000 0.079 0.000 0.875 1009 D CB 0.303 41.151 40.800 0.079 0.000 0.996 1009 D HN 0.178 nan 8.370 nan 0.000 0.497 1010 L N 0.104 121.378 121.223 0.085 0.000 2.267 1010 L HA 0.527 4.867 4.340 0.001 0.000 0.264 1010 L C -0.124 176.794 176.870 0.080 0.000 1.021 1010 L CA -0.693 54.219 54.840 0.119 0.000 0.861 1010 L CB 1.740 43.934 42.059 0.224 0.000 1.443 1010 L HN -0.104 nan 8.230 nan 0.000 0.475 1011 I N 2.113 122.747 120.570 0.106 0.000 2.727 1011 I HA 0.176 4.346 4.170 0.001 0.000 0.262 1011 I C -0.247 175.928 176.117 0.097 0.000 1.611 1011 I CA -0.135 61.213 61.300 0.080 0.000 0.849 1011 I CB 0.774 38.832 38.000 0.096 0.000 1.539 1011 I HN 0.381 nan 8.210 nan 0.000 0.527 1012 I N -0.852 119.779 120.570 0.102 0.000 2.634 1012 I HA 0.297 4.467 4.170 0.001 0.000 0.284 1012 I C 0.702 176.838 176.117 0.032 0.000 1.124 1012 I CA -0.080 61.271 61.300 0.085 0.000 1.417 1012 I CB 0.411 38.480 38.000 0.115 0.000 1.396 1012 I HN 0.372 nan 8.210 nan 0.000 0.571 1013 N N 7.706 126.429 118.700 0.038 0.000 2.483 1013 N HA 0.094 4.835 4.740 0.001 0.000 0.264 1013 N C -1.354 174.117 175.510 -0.065 0.000 1.197 1013 N CA -1.598 51.460 53.050 0.013 0.000 0.927 1013 N CB 1.119 39.658 38.487 0.086 0.000 1.065 1013 N HN 0.492 nan 8.380 nan 0.000 0.461 1014 P HA -0.166 nan 4.420 nan 0.000 0.220 1014 P C 0.753 177.935 177.300 -0.197 0.000 1.144 1014 P CA 1.295 64.261 63.100 -0.225 0.000 0.800 1014 P CB 0.107 31.643 31.700 -0.274 0.000 0.772 1015 H N 0.519 119.559 119.070 -0.050 0.000 2.421 1015 H HA 0.062 4.619 4.556 0.001 0.000 0.298 1015 H C 1.558 176.857 175.328 -0.049 0.000 1.087 1015 H CA 1.375 57.399 56.048 -0.041 0.000 1.330 1015 H CB -0.555 29.194 29.762 -0.022 0.000 1.388 1015 H HN 0.151 nan 8.280 nan 0.000 0.526 1016 A N 0.618 123.475 122.820 0.062 0.000 2.412 1016 A HA 0.144 4.464 4.320 0.001 0.000 0.253 1016 A C 1.524 179.080 177.584 -0.047 0.000 1.334 1016 A CA 0.075 52.121 52.037 0.015 0.000 0.929 1016 A CB -0.396 18.617 19.000 0.022 0.000 0.983 1016 A HN 0.158 nan 8.150 nan 0.000 0.508 1017 I N -0.972 119.552 120.570 -0.077 0.000 3.812 1017 I HA 0.086 4.257 4.170 0.001 0.000 0.292 1017 I C -0.988 175.075 176.117 -0.090 0.000 1.206 1017 I CA -0.164 61.056 61.300 -0.134 0.000 1.370 1017 I CB -1.404 36.459 38.000 -0.227 0.000 1.328 1017 I HN 0.072 nan 8.210 nan 0.000 0.453 1018 P HA -0.130 nan 4.420 nan 0.000 0.205 1018 P C 1.855 179.139 177.300 -0.026 0.000 1.181 1018 P CA 2.307 65.386 63.100 -0.034 0.000 0.933 1018 P CB -0.115 31.583 31.700 -0.004 0.000 0.775 1019 S N -0.989 114.704 115.700 -0.012 0.000 2.469 1019 S HA -0.114 4.356 4.470 0.001 0.000 0.238 1019 S C 1.807 176.396 174.600 -0.018 0.000 0.998 1019 S CA 0.763 58.956 58.200 -0.012 0.000 0.957 1019 S CB -0.841 62.355 63.200 -0.006 0.000 0.764 1019 S HN 0.006 nan 8.310 nan 0.000 0.514 1020 R N 0.716 121.202 120.500 -0.023 0.000 2.153 1020 R HA 0.238 4.578 4.340 0.001 0.000 0.218 1020 R C 0.954 177.234 176.300 -0.034 0.000 1.072 1020 R CA 0.547 56.632 56.100 -0.025 0.000 0.990 1020 R CB -0.825 29.462 30.300 -0.021 0.000 0.889 1020 R HN 0.498 nan 8.270 nan 0.000 0.452 1021 M N 1.068 120.645 119.600 -0.038 0.000 2.253 1021 M HA -0.178 4.303 4.480 0.001 0.000 0.199 1021 M C -0.122 176.156 176.300 -0.036 0.000 0.342 1021 M CA 0.952 56.230 55.300 -0.036 0.000 0.417 1021 M CB -1.662 30.924 32.600 -0.024 0.000 1.338 1021 M HN 0.004 nan 8.290 nan 0.000 0.920 1022 T N -0.243 114.278 114.554 -0.054 0.000 3.016 1022 T HA 0.487 4.838 4.350 0.001 0.000 0.335 1022 T C 0.843 175.474 174.700 -0.115 0.000 1.176 1022 T CA -0.551 61.513 62.100 -0.061 0.000 0.987 1022 T CB 0.431 69.279 68.868 -0.032 0.000 1.073 1022 T HN 0.216 nan 8.240 nan 0.000 0.547 1023 V N 4.355 124.217 119.914 -0.087 0.000 2.649 1023 V HA 0.083 4.204 4.120 0.001 0.000 0.248 1023 V C 2.882 178.886 176.094 -0.150 0.000 1.054 1023 V CA 1.423 63.656 62.300 -0.112 0.000 1.073 1023 V CB -0.922 30.861 31.823 -0.068 0.000 0.699 1023 V HN 0.887 nan 8.190 nan 0.000 0.463 1024 A N -0.168 122.580 122.820 -0.120 0.000 1.997 1024 A HA -0.338 3.983 4.320 0.001 0.000 0.221 1024 A C 2.191 179.636 177.584 -0.232 0.000 1.172 1024 A CA 2.292 54.297 52.037 -0.053 0.000 0.645 1024 A CB -0.858 18.241 19.000 0.166 0.000 0.813 1024 A HN 0.689 nan 8.150 nan 0.000 0.454 1025 H N 0.430 119.017 119.070 -0.805 0.000 2.253 1025 H HA -0.123 4.433 4.556 0.001 0.000 0.296 1025 H C 1.944 177.186 175.328 -0.144 0.000 1.074 1025 H CA 2.155 57.873 56.048 -0.550 0.000 1.263 1025 H CB -0.607 28.933 29.762 -0.370 0.000 1.363 1025 H HN 0.425 nan 8.280 nan 0.000 0.489 1026 L N 0.246 121.493 121.223 0.041 0.000 2.034 1026 L HA -0.276 4.065 4.340 0.001 0.000 0.217 1026 L C 2.985 179.958 176.870 0.173 0.000 1.077 1026 L CA 1.744 56.566 54.840 -0.030 0.000 0.769 1026 L CB -0.587 41.342 42.059 -0.216 0.000 0.890 1026 L HN 0.292 nan 8.230 nan 0.000 0.435 1027 I N -0.387 120.209 120.570 0.042 0.000 2.163 1027 I HA -0.289 3.882 4.170 0.001 0.000 0.240 1027 I C 2.584 178.841 176.117 0.234 0.000 1.081 1027 I CA 1.498 62.806 61.300 0.013 0.000 1.353 1027 I CB -0.548 37.203 38.000 -0.415 0.000 1.054 1027 I HN 0.353 nan 8.210 nan 0.000 0.407 1028 E N 0.420 120.828 120.200 0.347 0.000 2.339 1028 E HA -0.302 4.048 4.350 0.001 0.000 0.201 1028 E C 2.196 178.888 176.600 0.154 0.000 1.015 1028 E CA 1.447 58.018 56.400 0.285 0.000 0.841 1028 E CB -0.036 29.788 29.700 0.207 0.000 0.754 1028 E HN 0.592 nan 8.360 nan 0.000 0.508 1029 C N -0.583 118.826 119.300 0.181 0.000 2.668 1029 C HA 0.015 4.476 4.460 0.001 0.000 0.283 1029 C C 2.440 177.485 174.990 0.091 0.000 1.317 1029 C CA 0.338 59.448 59.018 0.153 0.000 1.696 1029 C CB -1.089 26.882 27.740 0.385 0.000 2.138 1029 C HN 0.565 nan 8.230 nan 0.000 0.520 1030 L N 1.224 122.534 121.223 0.145 0.000 2.051 1030 L HA -0.117 4.223 4.340 0.001 0.000 0.214 1030 L C 2.276 179.183 176.870 0.061 0.000 1.076 1030 L CA 2.024 56.898 54.840 0.057 0.000 0.758 1030 L CB -1.130 40.991 42.059 0.104 0.000 0.890 1030 L HN 0.481 nan 8.230 nan 0.000 0.433 1031 L N -1.468 119.825 121.223 0.116 0.000 2.017 1031 L HA -0.159 4.182 4.340 0.001 0.000 0.208 1031 L C 2.375 179.289 176.870 0.074 0.000 1.073 1031 L CA 2.048 56.968 54.840 0.134 0.000 0.745 1031 L CB -0.819 41.406 42.059 0.278 0.000 0.894 1031 L HN 0.220 nan 8.230 nan 0.000 0.432 1032 S N -1.005 114.726 115.700 0.052 0.000 2.489 1032 S HA -0.094 4.377 4.470 0.001 0.000 0.228 1032 S C 1.875 176.461 174.600 -0.023 0.000 0.995 1032 S CA 0.722 58.922 58.200 0.001 0.000 0.934 1032 S CB -0.187 63.002 63.200 -0.018 0.000 0.771 1032 S HN 0.417 nan 8.310 nan 0.000 0.522 1033 K N 1.039 121.421 120.400 -0.029 0.000 2.228 1033 K HA 0.037 4.358 4.320 0.001 0.000 0.202 1033 K C 1.644 178.209 176.600 -0.059 0.000 1.051 1033 K CA 0.559 56.808 56.287 -0.063 0.000 0.960 1033 K CB 0.052 32.488 32.500 -0.106 0.000 0.743 1033 K HN 0.138 nan 8.250 nan 0.000 0.458 1034 V N 0.908 120.802 119.914 -0.033 0.000 2.261 1034 V HA -0.137 3.983 4.120 0.001 0.000 0.235 1034 V C 2.108 178.160 176.094 -0.069 0.000 1.044 1034 V CA 1.844 64.116 62.300 -0.047 0.000 1.007 1034 V CB -0.616 31.222 31.823 0.025 0.000 0.647 1034 V HN 0.413 nan 8.190 nan 0.000 0.462 1035 A N -0.177 122.632 122.820 -0.017 0.000 2.204 1035 A HA -0.189 4.131 4.320 0.001 0.000 0.220 1035 A C 2.204 179.768 177.584 -0.034 0.000 1.165 1035 A CA 2.146 54.175 52.037 -0.014 0.000 0.671 1035 A CB -0.704 18.294 19.000 -0.004 0.000 0.792 1035 A HN 0.661 nan 8.150 nan 0.000 0.473 1036 A N -0.496 122.295 122.820 -0.049 0.000 1.898 1036 A HA 0.141 4.462 4.320 0.001 0.000 0.214 1036 A C 2.083 179.638 177.584 -0.049 0.000 1.183 1036 A CA 1.269 53.280 52.037 -0.043 0.000 0.622 1036 A CB -0.366 18.611 19.000 -0.038 0.000 0.824 1036 A HN 0.476 nan 8.150 nan 0.000 0.444 1037 L N 0.050 121.207 121.223 -0.109 0.000 2.127 1037 L HA -0.075 4.265 4.340 0.001 0.000 0.203 1037 L C 2.877 179.692 176.870 -0.092 0.000 1.080 1037 L CA 1.414 56.160 54.840 -0.157 0.000 0.768 1037 L CB -0.475 41.319 42.059 -0.442 0.000 0.924 1037 L HN 0.531 nan 8.230 nan 0.000 0.444 1038 S N 0.100 115.745 115.700 -0.092 0.000 2.453 1038 S HA 0.006 4.476 4.470 0.001 0.000 0.231 1038 S C 1.577 176.206 174.600 0.049 0.000 1.005 1038 S CA 0.501 58.747 58.200 0.076 0.000 0.949 1038 S CB -0.349 62.923 63.200 0.119 0.000 0.774 1038 S HN 0.546 nan 8.310 nan 0.000 0.510 1039 G N 1.576 110.383 108.800 0.012 0.000 2.272 1039 G HA2 -0.203 3.758 3.960 0.001 0.000 0.280 1039 G HA3 -0.203 3.758 3.960 0.001 0.000 0.280 1039 G C -0.397 174.510 174.900 0.011 0.000 1.067 1039 G CA 0.079 45.184 45.100 0.008 0.000 0.902 1039 G HN 0.566 nan 8.290 nan 0.000 0.500 1040 N N 0.438 119.145 118.700 0.011 0.000 2.549 1040 N HA 0.190 4.930 4.740 0.001 0.000 0.281 1040 N C -0.179 175.332 175.510 0.002 0.000 1.084 1040 N CA -0.550 52.508 53.050 0.013 0.000 0.862 1040 N CB 1.456 39.963 38.487 0.034 0.000 1.333 1040 N HN 0.494 nan 8.380 nan 0.000 0.523 1041 E N 1.504 121.696 120.200 -0.013 0.000 3.089 1041 E HA -0.081 4.269 4.350 0.001 0.000 0.226 1041 E C 0.425 177.014 176.600 -0.018 0.000 1.083 1041 E CA 0.039 56.421 56.400 -0.030 0.000 0.938 1041 E CB -0.008 29.666 29.700 -0.042 0.000 0.942 1041 E HN 0.557 nan 8.360 nan 0.000 0.549 1042 G N 4.513 113.305 108.800 -0.013 0.000 2.313 1042 G HA2 -0.094 3.867 3.960 0.001 0.000 0.250 1042 G HA3 -0.094 3.867 3.960 0.001 0.000 0.250 1042 G C -0.286 174.610 174.900 -0.006 0.000 1.281 1042 G CA -0.389 44.720 45.100 0.016 0.000 0.917 1042 G HN 0.628 nan 8.290 nan 0.000 0.501 1043 D N 1.463 121.881 120.400 0.030 0.000 2.325 1043 D HA 0.462 5.103 4.640 0.001 0.000 0.251 1043 D C 0.956 177.256 176.300 -0.001 0.000 1.196 1043 D CA 0.144 54.148 54.000 0.007 0.000 0.866 1043 D CB 1.105 41.942 40.800 0.061 0.000 1.101 1043 D HN 0.279 nan 8.370 nan 0.000 0.476 1044 A N 3.014 125.682 122.820 -0.252 0.000 2.197 1044 A HA 0.185 4.505 4.320 0.001 0.000 0.210 1044 A C 1.160 178.392 177.584 -0.586 0.000 1.180 1044 A CA -0.259 51.246 52.037 -0.887 0.000 0.846 1044 A CB -0.077 18.154 19.000 -1.282 0.000 0.884 1044 A HN 0.525 nan 8.150 nan 0.000 0.487 1045 S N 1.437 117.012 115.700 -0.209 0.000 2.618 1045 S HA -0.026 4.444 4.470 0.001 0.000 0.313 1045 S C -1.253 173.374 174.600 0.044 0.000 1.252 1045 S CA 0.156 58.334 58.200 -0.037 0.000 1.022 1045 S CB 0.264 63.535 63.200 0.120 0.000 0.706 1045 S HN 0.327 nan 8.310 nan 0.000 0.466 1046 P HA -0.175 nan 4.420 nan 0.000 0.233 1046 P C -0.191 177.019 177.300 -0.150 0.000 0.947 1046 P CA 1.453 64.399 63.100 -0.256 0.000 1.064 1046 P CB -0.002 31.541 31.700 -0.262 0.000 0.664 1047 F N -1.404 118.625 119.950 0.131 0.000 2.385 1047 F HA 0.586 5.114 4.527 0.001 0.000 0.360 1047 F C 0.859 176.791 175.800 0.220 0.000 1.122 1047 F CA -0.604 57.478 58.000 0.138 0.000 1.090 1047 F CB -0.077 38.953 39.000 0.051 0.000 1.150 1047 F HN 0.089 nan 8.300 nan 0.000 0.472 1048 T N -2.274 112.527 114.554 0.411 0.000 2.645 1048 T HA 0.311 4.662 4.350 0.001 0.000 0.300 1048 T C -0.314 174.545 174.700 0.266 0.000 1.210 1048 T CA -0.841 61.468 62.100 0.349 0.000 1.034 1048 T CB 1.522 70.602 68.868 0.352 0.000 1.537 1048 T HN 0.355 nan 8.240 nan 0.000 0.492 1049 D N 0.592 121.124 120.400 0.220 0.000 2.413 1049 D HA 0.311 4.951 4.640 0.001 0.000 0.237 1049 D C 0.182 176.576 176.300 0.157 0.000 1.171 1049 D CA 0.101 54.203 54.000 0.170 0.000 0.839 1049 D CB -0.243 40.640 40.800 0.138 0.000 0.950 1049 D HN 0.429 nan 8.370 nan 0.000 0.499 1050 I N 0.074 120.755 120.570 0.184 0.000 2.783 1050 I HA 0.281 4.452 4.170 0.001 0.000 0.312 1050 I C 0.844 177.021 176.117 0.101 0.000 0.988 1050 I CA -0.382 61.008 61.300 0.150 0.000 1.182 1050 I CB 1.755 39.874 38.000 0.199 0.000 1.368 1050 I HN -0.157 nan 8.210 nan 0.000 0.511 1051 T N -0.563 114.020 114.554 0.047 0.000 2.792 1051 T HA 0.328 4.678 4.350 0.001 0.000 0.303 1051 T C 0.375 175.055 174.700 -0.034 0.000 1.310 1051 T CA -0.782 61.321 62.100 0.005 0.000 1.007 1051 T CB 1.428 70.318 68.868 0.037 0.000 1.335 1051 T HN 0.149 nan 8.240 nan 0.000 0.504 1052 V N 0.889 120.767 119.914 -0.060 0.000 2.323 1052 V HA -0.078 4.042 4.120 0.001 0.000 0.244 1052 V C 2.749 178.843 176.094 -0.000 0.000 1.041 1052 V CA 1.585 63.855 62.300 -0.049 0.000 1.025 1052 V CB -0.773 31.017 31.823 -0.055 0.000 0.656 1052 V HN 0.907 nan 8.190 nan 0.000 0.451 1053 E N 0.640 120.845 120.200 0.009 0.000 2.209 1053 E HA -0.177 4.173 4.350 0.001 0.000 0.196 1053 E C 2.217 178.834 176.600 0.028 0.000 0.993 1053 E CA 1.505 57.917 56.400 0.020 0.000 0.819 1053 E CB -0.354 29.360 29.700 0.023 0.000 0.745 1053 E HN 0.659 nan 8.360 nan 0.000 0.477 1054 G N 1.201 110.019 108.800 0.031 0.000 2.425 1054 G HA2 -0.155 3.805 3.960 0.001 0.000 0.213 1054 G HA3 -0.155 3.805 3.960 0.001 0.000 0.213 1054 G C 1.705 176.634 174.900 0.048 0.000 1.201 1054 G CA 0.189 45.315 45.100 0.042 0.000 0.799 1054 G HN 0.135 nan 8.290 nan 0.000 0.534 1055 I N 1.271 121.867 120.570 0.044 0.000 2.264 1055 I HA -0.202 3.968 4.170 0.001 0.000 0.248 1055 I C 3.016 179.171 176.117 0.063 0.000 1.111 1055 I CA 1.058 62.392 61.300 0.057 0.000 1.382 1055 I CB -0.253 37.775 38.000 0.046 0.000 1.060 1055 I HN 0.105 nan 8.210 nan 0.000 0.418 1056 S N 0.719 116.449 115.700 0.050 0.000 2.380 1056 S HA -0.250 4.220 4.470 0.001 0.000 0.229 1056 S C 1.945 176.580 174.600 0.059 0.000 1.043 1056 S CA 1.565 59.797 58.200 0.054 0.000 1.038 1056 S CB -0.229 62.994 63.200 0.040 0.000 0.872 1056 S HN 0.413 nan 8.310 nan 0.000 0.456 1057 K N 0.667 121.097 120.400 0.051 0.000 2.057 1057 K HA 0.019 4.339 4.320 0.001 0.000 0.207 1057 K C 2.056 178.694 176.600 0.063 0.000 1.049 1057 K CA 0.947 57.262 56.287 0.047 0.000 0.931 1057 K CB -0.327 32.196 32.500 0.037 0.000 0.714 1057 K HN 0.285 nan 8.250 nan 0.000 0.440 1058 L N 0.549 121.821 121.223 0.083 0.000 2.083 1058 L HA -0.206 4.134 4.340 0.001 0.000 0.209 1058 L C 2.359 179.352 176.870 0.204 0.000 1.083 1058 L CA 0.662 55.575 54.840 0.121 0.000 0.752 1058 L CB -0.255 41.878 42.059 0.124 0.000 0.899 1058 L HN 0.176 nan 8.230 nan 0.000 0.433 1059 L N -0.309 121.018 121.223 0.174 0.000 2.072 1059 L HA -0.145 4.195 4.340 0.001 0.000 0.205 1059 L C 2.666 179.657 176.870 0.202 0.000 1.079 1059 L CA 1.381 56.349 54.840 0.213 0.000 0.752 1059 L CB -0.426 41.717 42.059 0.140 0.000 0.906 1059 L HN 0.060 nan 8.230 nan 0.000 0.436 1060 R N 0.547 121.119 120.500 0.120 0.000 2.105 1060 R HA -0.175 4.166 4.340 0.001 0.000 0.239 1060 R C 1.952 178.279 176.300 0.046 0.000 1.135 1060 R CA 1.637 57.783 56.100 0.076 0.000 0.967 1060 R CB -0.585 29.741 30.300 0.043 0.000 0.861 1060 R HN 0.479 nan 8.270 nan 0.000 0.442 1061 E N -0.830 119.388 120.200 0.029 0.000 2.533 1061 E HA -0.150 4.201 4.350 0.001 0.000 0.203 1061 E C 0.467 176.937 176.600 -0.216 0.000 1.101 1061 E CA 0.389 56.741 56.400 -0.079 0.000 0.894 1061 E CB -0.015 29.626 29.700 -0.099 0.000 0.843 1061 E HN 0.514 nan 8.360 nan 0.000 0.552 1062 H N -1.967 117.091 119.070 -0.020 0.000 3.058 1062 H HA 0.157 4.713 4.556 0.001 0.000 0.266 1062 H C 1.271 176.472 175.328 -0.212 0.000 1.135 1062 H CA 0.752 56.755 56.048 -0.074 0.000 1.174 1062 H CB 1.692 31.453 29.762 -0.001 0.000 1.581 1062 H HN 0.320 nan 8.280 nan 0.000 0.553 1063 G N 0.617 109.375 108.800 -0.069 0.000 2.176 1063 G HA2 -0.258 3.703 3.960 0.001 0.000 0.232 1063 G HA3 -0.258 3.703 3.960 0.001 0.000 0.232 1063 G C -0.161 174.659 174.900 -0.132 0.000 0.986 1063 G CA -0.120 44.891 45.100 -0.150 0.000 0.643 1063 G HN 0.380 nan 8.290 nan 0.000 0.522 1064 Y N 0.186 120.519 120.300 0.055 0.000 2.453 1064 Y HA 0.591 5.142 4.550 0.001 0.000 0.326 1064 Y C 0.900 176.815 175.900 0.024 0.000 1.186 1064 Y CA -0.913 57.206 58.100 0.031 0.000 1.200 1064 Y CB 0.889 39.364 38.460 0.025 0.000 1.247 1064 Y HN 0.199 nan 8.280 nan 0.000 0.482 1065 Q N 0.922 120.845 119.800 0.205 0.000 2.375 1065 Q HA -0.110 4.231 4.340 0.001 0.000 0.344 1065 Q C 0.744 176.798 176.000 0.090 0.000 1.169 1065 Q CA 0.803 56.665 55.803 0.099 0.000 1.035 1065 Q CB 0.684 29.469 28.738 0.079 0.000 1.222 1065 Q HN 0.736 nan 8.270 nan 0.000 0.412 1066 S N 2.853 118.578 115.700 0.043 0.000 2.607 1066 S HA 0.082 4.552 4.470 0.001 0.000 0.224 1066 S C 0.744 175.372 174.600 0.046 0.000 0.969 1066 S CA 0.167 58.393 58.200 0.044 0.000 0.927 1066 S CB 0.202 63.414 63.200 0.020 0.000 0.772 1066 S HN 0.614 nan 8.310 nan 0.000 0.533 1067 R N 0.041 120.570 120.500 0.048 0.000 2.369 1067 R HA 0.411 4.752 4.340 0.001 0.000 0.210 1067 R C 1.703 178.140 176.300 0.228 0.000 0.881 1067 R CA 0.757 56.932 56.100 0.126 0.000 1.031 1067 R CB -0.172 30.133 30.300 0.008 0.000 1.184 1067 R HN 0.524 nan 8.270 nan 0.000 0.581 1068 G N 0.428 109.311 108.800 0.139 0.000 2.612 1068 G HA2 -0.233 3.727 3.960 0.001 0.000 0.200 1068 G HA3 -0.233 3.727 3.960 0.001 0.000 0.200 1068 G C 0.046 174.944 174.900 -0.002 0.000 1.053 1068 G CA -0.428 44.616 45.100 -0.092 0.000 0.707 1068 G HN 0.065 nan 8.290 nan 0.000 0.497 1069 F N 2.326 122.197 119.950 -0.131 0.000 2.657 1069 F HA 0.503 5.031 4.527 0.001 0.000 0.347 1069 F C 1.139 176.903 175.800 -0.060 0.000 1.180 1069 F CA 0.360 58.334 58.000 -0.043 0.000 1.383 1069 F CB 0.185 39.201 39.000 0.026 0.000 1.077 1069 F HN 0.301 nan 8.300 nan 0.000 0.622 1070 E N -0.665 119.621 120.200 0.143 0.000 2.430 1070 E HA 0.444 4.795 4.350 0.001 0.000 0.279 1070 E C -1.567 175.045 176.600 0.019 0.000 1.003 1070 E CA -1.033 55.389 56.400 0.035 0.000 0.801 1070 E CB 2.554 32.188 29.700 -0.110 0.000 1.313 1070 E HN 0.183 nan 8.360 nan 0.000 0.459 1071 V N 1.923 121.844 119.914 0.011 0.000 2.686 1071 V HA 0.304 4.424 4.120 0.001 0.000 0.295 1071 V C 0.214 176.280 176.094 -0.047 0.000 1.055 1071 V CA 0.374 62.662 62.300 -0.021 0.000 1.050 1071 V CB 0.500 32.337 31.823 0.022 0.000 0.984 1071 V HN 0.580 nan 8.190 nan 0.000 0.482 1072 M N 3.302 122.814 119.600 -0.146 0.000 2.531 1072 M HA 0.524 5.005 4.480 0.001 0.000 0.286 1072 M C -1.888 174.196 176.300 -0.360 0.000 1.232 1072 M CA -0.586 54.611 55.300 -0.171 0.000 0.877 1072 M CB 2.948 35.432 32.600 -0.193 0.000 1.726 1072 M HN 0.545 nan 8.290 nan 0.000 0.463 1073 Y N 0.679 120.555 120.300 -0.708 0.000 2.377 1073 Y HA 0.275 4.825 4.550 0.001 0.000 0.339 1073 Y C 0.508 176.027 175.900 -0.636 0.000 1.011 1073 Y CA -1.138 56.509 58.100 -0.755 0.000 1.093 1073 Y CB 0.858 38.688 38.460 -1.049 0.000 1.201 1073 Y HN 0.531 nan 8.280 nan 0.000 0.455 1074 N N 2.407 121.012 118.700 -0.158 0.000 2.484 1074 N HA -0.062 4.678 4.740 0.001 0.000 0.295 1074 N C 1.327 176.909 175.510 0.120 0.000 1.240 1074 N CA 0.772 53.831 53.050 0.015 0.000 1.085 1074 N CB 0.437 38.944 38.487 0.033 0.000 1.465 1074 N HN 1.088 nan 8.380 nan 0.000 0.496 1075 G N 2.687 111.586 108.800 0.165 0.000 2.661 1075 G HA2 -0.340 3.621 3.960 0.001 0.000 0.224 1075 G HA3 -0.340 3.621 3.960 0.001 0.000 0.224 1075 G C 1.200 176.313 174.900 0.355 0.000 1.114 1075 G CA 1.112 46.420 45.100 0.348 0.000 0.751 1075 G HN 0.644 nan 8.290 nan 0.000 0.609 1076 H N 0.681 119.824 119.070 0.123 0.000 2.253 1076 H HA -0.068 4.488 4.556 0.001 0.000 0.296 1076 H C 3.073 178.449 175.328 0.079 0.000 1.074 1076 H CA 2.227 58.313 56.048 0.062 0.000 1.263 1076 H CB -0.952 28.808 29.762 -0.004 0.000 1.363 1076 H HN 0.488 nan 8.280 nan 0.000 0.489 1077 T N -3.528 111.162 114.554 0.227 0.000 2.781 1077 T HA 0.228 4.579 4.350 0.001 0.000 0.252 1077 T C 1.859 176.664 174.700 0.174 0.000 1.039 1077 T CA 1.212 63.404 62.100 0.153 0.000 1.147 1077 T CB -0.356 68.582 68.868 0.116 0.000 0.865 1077 T HN 0.573 nan 8.240 nan 0.000 0.423 1078 G N 1.114 110.040 108.800 0.210 0.000 2.227 1078 G HA2 -0.145 3.815 3.960 0.001 0.000 0.168 1078 G HA3 -0.145 3.815 3.960 0.001 0.000 0.168 1078 G C 0.090 175.171 174.900 0.301 0.000 1.006 1078 G CA 0.091 45.368 45.100 0.295 0.000 0.684 1078 G HN 0.737 nan 8.290 nan 0.000 0.489 1079 K N 0.781 121.281 120.400 0.165 0.000 2.181 1079 K HA 0.434 4.755 4.320 0.001 0.000 0.239 1079 K C 0.617 177.175 176.600 -0.071 0.000 1.073 1079 K CA 0.033 56.368 56.287 0.081 0.000 0.839 1079 K CB 0.243 32.759 32.500 0.027 0.000 1.116 1079 K HN 0.191 nan 8.250 nan 0.000 0.518 1080 K N 0.599 120.848 120.400 -0.252 0.000 2.109 1080 K HA 0.299 4.619 4.320 0.001 0.000 0.243 1080 K C -0.597 175.811 176.600 -0.320 0.000 1.006 1080 K CA -0.812 55.133 56.287 -0.569 0.000 0.917 1080 K CB 0.665 32.838 32.500 -0.544 0.000 1.081 1080 K HN 0.311 nan 8.250 nan 0.000 0.468 1081 L N 3.316 124.338 121.223 -0.334 0.000 2.272 1081 L HA 0.111 4.452 4.340 0.001 0.000 0.284 1081 L C 1.081 177.870 176.870 -0.134 0.000 1.045 1081 L CA -0.163 54.568 54.840 -0.182 0.000 0.842 1081 L CB 0.919 42.876 42.059 -0.171 0.000 1.224 1081 L HN 0.810 nan 8.230 nan 0.000 0.430 1082 M N 3.341 122.886 119.600 -0.091 0.000 2.252 1082 M HA -0.192 4.289 4.480 0.001 0.000 0.255 1082 M C 0.687 176.963 176.300 -0.040 0.000 1.085 1082 M CA 1.417 56.681 55.300 -0.060 0.000 1.059 1082 M CB -0.126 32.453 32.600 -0.035 0.000 1.375 1082 M HN 0.575 nan 8.290 nan 0.000 0.409 1083 A N -0.834 121.967 122.820 -0.031 0.000 2.386 1083 A HA 0.711 5.032 4.320 0.001 0.000 0.308 1083 A C -0.881 176.708 177.584 0.008 0.000 1.128 1083 A CA -0.840 51.200 52.037 0.006 0.000 0.789 1083 A CB 0.905 19.917 19.000 0.020 0.000 1.325 1083 A HN 0.358 nan 8.150 nan 0.000 0.437 1084 Q N 0.305 120.153 119.800 0.080 0.000 2.282 1084 Q HA 0.622 4.962 4.340 0.001 0.000 0.260 1084 Q C -0.914 175.154 176.000 0.113 0.000 0.964 1084 Q CA -0.224 55.644 55.803 0.108 0.000 0.880 1084 Q CB 1.352 30.202 28.738 0.187 0.000 1.286 1084 Q HN 0.575 nan 8.270 nan 0.000 0.445 1085 I N 1.200 121.791 120.570 0.034 0.000 2.713 1085 I HA 0.210 4.381 4.170 0.001 0.000 0.300 1085 I C -0.255 175.825 176.117 -0.061 0.000 1.009 1085 I CA -0.463 60.825 61.300 -0.020 0.000 1.305 1085 I CB 0.351 38.362 38.000 0.017 0.000 1.430 1085 I HN 0.553 nan 8.210 nan 0.000 0.546 1086 F N 5.429 125.179 119.950 -0.333 0.000 2.451 1086 F HA 0.397 4.925 4.527 0.001 0.000 0.356 1086 F C -0.225 175.518 175.800 -0.096 0.000 1.178 1086 F CA -0.395 57.382 58.000 -0.371 0.000 1.210 1086 F CB -0.063 38.628 39.000 -0.515 0.000 1.504 1086 F HN 0.219 nan 8.300 nan 0.000 0.598 1087 F N 3.608 123.387 119.950 -0.286 0.000 2.352 1087 F HA 0.748 5.276 4.527 0.001 0.000 0.304 1087 F C 0.689 176.295 175.800 -0.323 0.000 1.215 1087 F CA 0.578 58.450 58.000 -0.214 0.000 1.121 1087 F CB 1.046 39.929 39.000 -0.195 0.000 1.329 1087 F HN 0.598 nan 8.300 nan 0.000 0.528 1088 G N 1.928 110.566 108.800 -0.270 0.000 2.697 1088 G HA2 0.043 4.004 3.960 0.001 0.000 0.684 1088 G HA3 0.043 4.004 3.960 0.001 0.000 0.684 1088 G C -3.162 171.620 174.900 -0.196 0.000 1.274 1088 G CA -1.041 43.952 45.100 -0.179 0.000 0.806 1088 G HN 0.493 nan 8.290 nan 0.000 0.644 1089 P HA 0.466 nan 4.420 nan 0.000 0.271 1089 P C -0.041 177.203 177.300 -0.094 0.000 1.238 1089 P CA 0.468 63.508 63.100 -0.100 0.000 0.794 1089 P CB 0.994 32.658 31.700 -0.061 0.000 0.959 1090 T N -0.421 114.062 114.554 -0.117 0.000 3.003 1090 T HA 0.139 4.489 4.350 0.001 0.000 0.354 1090 T C -1.483 173.145 174.700 -0.119 0.000 1.651 1090 T CA -0.309 61.682 62.100 -0.182 0.000 1.103 1090 T CB 0.345 68.971 68.868 -0.405 0.000 1.450 1090 T HN 0.212 nan 8.240 nan 0.000 0.484 1091 Y N 2.241 122.398 120.300 -0.238 0.000 2.377 1091 Y HA 0.516 5.066 4.550 0.001 0.000 0.330 1091 Y C -0.926 174.908 175.900 -0.109 0.000 1.108 1091 Y CA -0.921 57.112 58.100 -0.113 0.000 1.308 1091 Y CB 0.270 38.699 38.460 -0.052 0.000 1.216 1091 Y HN 0.626 nan 8.280 nan 0.000 0.518 1092 Y N 5.172 125.437 120.300 -0.058 0.000 2.329 1092 Y HA 0.265 4.816 4.550 0.001 0.000 0.328 1092 Y C -0.326 175.512 175.900 -0.103 0.000 0.992 1092 Y CA -1.118 56.950 58.100 -0.053 0.000 1.151 1092 Y CB 1.454 39.973 38.460 0.098 0.000 1.150 1092 Y HN 0.480 nan 8.280 nan 0.000 0.450 1093 Q N 3.432 123.258 119.800 0.044 0.000 2.259 1093 Q HA 0.293 4.633 4.340 0.001 0.000 0.249 1093 Q C -0.373 175.657 176.000 0.050 0.000 0.914 1093 Q CA -0.714 55.090 55.803 0.000 0.000 0.904 1093 Q CB 1.663 30.385 28.738 -0.027 0.000 1.213 1093 Q HN 0.505 nan 8.270 nan 0.000 0.428 1094 R N 3.155 123.732 120.500 0.130 0.000 2.287 1094 R HA 0.204 4.545 4.340 0.001 0.000 0.327 1094 R C -1.195 175.152 176.300 0.079 0.000 1.109 1094 R CA -0.587 55.649 56.100 0.226 0.000 1.013 1094 R CB -0.142 30.360 30.300 0.337 0.000 1.126 1094 R HN 0.376 nan 8.270 nan 0.000 0.503 1095 L N 3.136 124.354 121.223 -0.008 0.000 2.417 1095 L HA 0.409 4.749 4.340 0.001 0.000 0.268 1095 L C 1.066 177.812 176.870 -0.207 0.000 1.158 1095 L CA -0.499 54.272 54.840 -0.115 0.000 0.819 1095 L CB 0.153 42.137 42.059 -0.125 0.000 1.112 1095 L HN 0.584 nan 8.230 nan 0.000 0.458 1096 R N 0.385 120.709 120.500 -0.293 0.000 3.357 1096 R HA 0.139 4.480 4.340 0.001 0.000 0.218 1096 R C -0.561 175.563 176.300 -0.294 0.000 1.015 1096 R CA -0.285 55.635 56.100 -0.301 0.000 1.122 1096 R CB -0.319 29.788 30.300 -0.322 0.000 0.804 1096 R HN 0.722 nan 8.270 nan 0.000 0.466 1097 H N -1.578 117.384 119.070 -0.180 0.000 3.060 1097 H HA -0.075 4.482 4.556 0.001 0.000 0.338 1097 H C -0.930 174.273 175.328 -0.208 0.000 1.327 1097 H CA 0.448 56.388 56.048 -0.180 0.000 1.227 1097 H CB -2.104 27.558 29.762 -0.167 0.000 1.481 1097 H HN 0.475 nan 8.280 nan 0.000 0.450 1098 M N -0.859 118.673 119.600 -0.113 0.000 2.291 1098 M HA 0.250 4.731 4.480 0.001 0.000 0.324 1098 M C 1.920 178.128 176.300 -0.153 0.000 1.148 1098 M CA -0.200 54.995 55.300 -0.175 0.000 1.104 1098 M CB 0.943 33.423 32.600 -0.200 0.000 1.483 1098 M HN 0.097 nan 8.290 nan 0.000 0.467 1099 V N 1.134 120.953 119.914 -0.159 0.000 2.219 1099 V HA -0.287 3.834 4.120 0.001 0.000 0.248 1099 V C 1.285 177.309 176.094 -0.115 0.000 1.053 1099 V CA 2.374 64.597 62.300 -0.130 0.000 1.009 1099 V CB -0.280 31.470 31.823 -0.123 0.000 0.636 1099 V HN 0.904 nan 8.190 nan 0.000 0.445 1100 D N -0.045 120.284 120.400 -0.119 0.000 2.417 1100 D HA -0.117 4.524 4.640 0.001 0.000 0.225 1100 D C 1.226 177.452 176.300 -0.123 0.000 0.983 1100 D CA 0.954 54.889 54.000 -0.109 0.000 0.949 1100 D CB -0.241 40.493 40.800 -0.110 0.000 0.879 1100 D HN 0.556 nan 8.370 nan 0.000 0.520 1101 D N -0.820 119.497 120.400 -0.138 0.000 2.369 1101 D HA 0.091 4.732 4.640 0.001 0.000 0.211 1101 D C 1.478 177.708 176.300 -0.115 0.000 1.077 1101 D CA 0.185 54.096 54.000 -0.147 0.000 0.842 1101 D CB 0.610 41.303 40.800 -0.179 0.000 0.947 1101 D HN 0.196 nan 8.370 nan 0.000 0.509 1102 K N -0.391 119.951 120.400 -0.098 0.000 2.504 1102 K HA 0.151 4.471 4.320 0.001 0.000 0.203 1102 K C 0.302 176.883 176.600 -0.032 0.000 1.350 1102 K CA -0.489 55.751 56.287 -0.079 0.000 0.953 1102 K CB 1.332 33.775 32.500 -0.095 0.000 1.243 1102 K HN -0.111 nan 8.250 nan 0.000 0.534 1103 I N 3.081 123.631 120.570 -0.033 0.000 3.015 1103 I HA -0.190 3.981 4.170 0.001 0.000 0.309 1103 I C -0.250 175.912 176.117 0.075 0.000 1.229 1103 I CA 1.187 62.486 61.300 -0.001 0.000 1.430 1103 I CB -0.394 37.593 38.000 -0.023 0.000 1.347 1103 I HN 0.153 nan 8.210 nan 0.000 0.544 1104 H N 6.206 125.244 119.070 -0.053 0.000 2.934 1104 H HA 0.809 5.366 4.556 0.001 0.000 0.340 1104 H C -1.312 173.995 175.328 -0.035 0.000 1.008 1104 H CA -0.601 55.420 56.048 -0.044 0.000 1.317 1104 H CB 1.303 31.038 29.762 -0.045 0.000 1.670 1104 H HN 0.608 nan 8.280 nan 0.000 0.516 1105 A N 4.846 127.539 122.820 -0.212 0.000 2.475 1105 A HA 0.858 5.179 4.320 0.001 0.000 0.301 1105 A C -1.039 176.383 177.584 -0.270 0.000 1.059 1105 A CA -0.763 51.097 52.037 -0.295 0.000 0.710 1105 A CB 1.713 20.645 19.000 -0.114 0.000 1.288 1105 A HN 0.845 nan 8.150 nan 0.000 0.408 1106 R N 0.321 120.678 120.500 -0.237 0.000 2.634 1106 R HA 0.685 5.025 4.340 0.001 0.000 0.263 1106 R C -1.929 174.317 176.300 -0.089 0.000 1.060 1106 R CA 0.028 56.055 56.100 -0.122 0.000 0.898 1106 R CB 1.628 31.869 30.300 -0.099 0.000 1.253 1106 R HN 1.704 nan 8.270 nan 0.000 0.461 1107 A N 4.303 127.090 122.820 -0.054 0.000 2.768 1107 A HA 0.500 4.821 4.320 0.001 0.000 0.299 1107 A C -0.788 176.773 177.584 -0.038 0.000 1.171 1107 A CA -0.239 51.771 52.037 -0.045 0.000 0.759 1107 A CB 0.722 19.698 19.000 -0.039 0.000 1.267 1107 A HN 1.044 nan 8.150 nan 0.000 0.421 1108 R N 0.728 121.206 120.500 -0.038 0.000 1.198 1108 R HA 0.000 4.341 4.340 0.001 0.000 0.414 1108 R C -0.007 176.275 176.300 -0.031 0.000 1.352 1108 R CA 1.496 57.575 56.100 -0.036 0.000 1.314 1108 R CB -1.045 29.233 30.300 -0.038 0.000 3.677 1108 R HN 2.311 nan 8.270 nan 0.000 0.487 1109 G N 3.571 112.353 108.800 -0.030 0.000 2.637 1109 G HA2 0.403 4.363 3.960 0.001 0.000 0.112 1109 G HA3 0.403 4.363 3.960 0.001 0.000 0.112 1109 G C -2.853 172.029 174.900 -0.029 0.000 1.181 1109 G CA -0.243 44.841 45.100 -0.026 0.000 1.150 1109 G HN 0.617 nan 8.290 nan 0.000 0.561 1110 P HA 0.329 nan 4.420 nan 0.000 0.264 1110 P C -0.921 176.360 177.300 -0.033 0.000 1.193 1110 P CA 0.478 63.562 63.100 -0.025 0.000 0.763 1110 P CB 0.745 32.436 31.700 -0.014 0.000 0.810 1111 M N 1.889 121.460 119.600 -0.049 0.000 2.383 1111 M HA 0.309 4.790 4.480 0.001 0.000 0.325 1111 M C 0.550 176.809 176.300 -0.069 0.000 1.092 1111 M CA -1.129 54.131 55.300 -0.066 0.000 0.961 1111 M CB 1.552 34.093 32.600 -0.098 0.000 1.672 1111 M HN 0.438 nan 8.290 nan 0.000 0.438 1112 Q N 0.853 120.617 119.800 -0.061 0.000 2.730 1112 Q HA 0.063 4.403 4.340 0.001 0.000 0.255 1112 Q C 0.381 176.337 176.000 -0.074 0.000 1.155 1112 Q CA 0.493 56.265 55.803 -0.050 0.000 1.035 1112 Q CB 0.789 29.506 28.738 -0.034 0.000 1.335 1112 Q HN 0.592 nan 8.270 nan 0.000 0.556 1113 V N 0.837 120.720 119.914 -0.051 0.000 2.908 1113 V HA -0.053 4.067 4.120 0.001 0.000 0.240 1113 V C 1.525 177.595 176.094 -0.039 0.000 1.117 1113 V CA 0.751 63.016 62.300 -0.058 0.000 1.133 1113 V CB -0.467 31.338 31.823 -0.030 0.000 0.857 1113 V HN 0.764 nan 8.190 nan 0.000 0.478 1114 L N 0.387 121.612 121.223 0.004 0.000 2.179 1114 L HA 0.034 4.375 4.340 0.001 0.000 0.208 1114 L C 1.986 178.928 176.870 0.121 0.000 1.096 1114 L CA 2.301 57.175 54.840 0.056 0.000 0.779 1114 L CB -0.570 41.514 42.059 0.042 0.000 0.922 1114 L HN 0.315 nan 8.230 nan 0.000 0.443 1115 T N -1.157 113.436 114.554 0.065 0.000 2.990 1115 T HA 0.165 4.516 4.350 0.001 0.000 0.250 1115 T C 0.595 175.310 174.700 0.024 0.000 1.041 1115 T CA -0.168 62.001 62.100 0.115 0.000 1.010 1115 T CB 0.136 69.037 68.868 0.056 0.000 1.003 1115 T HN 0.274 nan 8.240 nan 0.000 0.499 1116 R N 1.160 121.559 120.500 -0.168 0.000 3.627 1116 R HA -0.152 4.188 4.340 0.001 0.000 0.281 1116 R C -0.177 176.026 176.300 -0.161 0.000 1.140 1116 R CA 0.489 56.397 56.100 -0.319 0.000 0.761 1116 R CB -1.745 28.064 30.300 -0.819 0.000 1.181 1116 R HN 0.523 nan 8.270 nan 0.000 0.472 1117 Q N -0.314 119.441 119.800 -0.075 0.000 2.306 1117 Q HA 0.417 4.758 4.340 0.001 0.000 0.269 1117 Q C -2.460 173.516 176.000 -0.040 0.000 1.053 1117 Q CA -2.314 53.465 55.803 -0.040 0.000 0.879 1117 Q CB 1.712 30.445 28.738 -0.007 0.000 1.344 1117 Q HN -0.140 nan 8.270 nan 0.000 0.464 1118 P HA -0.073 nan 4.420 nan 0.000 0.263 1118 P C -0.587 176.709 177.300 -0.007 0.000 1.195 1118 P CA 0.052 63.141 63.100 -0.018 0.000 0.762 1118 P CB 0.334 32.028 31.700 -0.010 0.000 0.799 1119 V N 1.556 121.466 119.914 -0.007 0.000 3.432 1119 V HA 0.149 4.270 4.120 0.001 0.000 0.304 1119 V C 0.270 176.371 176.094 0.012 0.000 1.107 1119 V CA -0.165 62.134 62.300 -0.001 0.000 1.153 1119 V CB 0.506 32.326 31.823 -0.005 0.000 1.072 1119 V HN 0.535 nan 8.190 nan 0.000 0.485 1120 E N 1.368 121.573 120.200 0.007 0.000 2.214 1120 E HA 0.591 4.942 4.350 0.001 0.000 0.274 1120 E C -0.106 176.492 176.600 -0.004 0.000 0.977 1120 E CA -0.099 56.307 56.400 0.010 0.000 0.827 1120 E CB 1.398 31.100 29.700 0.003 0.000 1.130 1120 E HN 1.899 nan 8.360 nan 0.000 0.394 1121 G N 3.534 112.327 108.800 -0.011 0.000 3.444 1121 G HA2 -0.182 3.778 3.960 0.001 0.000 0.685 1121 G HA3 -0.182 3.778 3.960 0.001 0.000 0.685 1121 G C 0.265 175.078 174.900 -0.146 0.000 1.145 1121 G CA -0.008 45.055 45.100 -0.061 0.000 0.973 1121 G HN 0.774 nan 8.290 nan 0.000 0.525 1122 R N 1.136 121.452 120.500 -0.305 0.000 2.159 1122 R HA -0.119 4.222 4.340 0.001 0.000 0.237 1122 R C 2.581 178.626 176.300 -0.424 0.000 1.131 1122 R CA 2.738 58.361 56.100 -0.796 0.000 0.982 1122 R CB -0.321 29.484 30.300 -0.824 0.000 0.868 1122 R HN 1.091 nan 8.270 nan 0.000 0.453 1123 S N -0.259 115.309 115.700 -0.221 0.000 2.442 1123 S HA -0.078 4.393 4.470 0.001 0.000 0.236 1123 S C 1.691 176.244 174.600 -0.079 0.000 1.007 1123 S CA 0.873 59.001 58.200 -0.121 0.000 0.965 1123 S CB -0.060 63.098 63.200 -0.070 0.000 0.773 1123 S HN 0.483 nan 8.310 nan 0.000 0.504 1124 R N 0.287 120.741 120.500 -0.076 0.000 2.613 1124 R HA 0.169 4.509 4.340 0.001 0.000 0.361 1124 R C -0.441 175.851 176.300 -0.013 0.000 1.072 1124 R CA 0.227 56.307 56.100 -0.033 0.000 1.089 1124 R CB 0.173 30.461 30.300 -0.020 0.000 1.343 1124 R HN 0.225 nan 8.270 nan 0.000 0.571 1125 D N -0.601 119.794 120.400 -0.008 0.000 3.090 1125 D HA -0.122 4.519 4.640 0.001 0.000 0.215 1125 D C 0.389 176.768 176.300 0.132 0.000 1.140 1125 D CA 1.142 55.192 54.000 0.084 0.000 0.937 1125 D CB -0.831 39.992 40.800 0.039 0.000 1.108 1125 D HN 0.490 nan 8.370 nan 0.000 0.420 1126 G N -0.342 108.516 108.800 0.098 0.000 2.939 1126 G HA2 0.372 4.332 3.960 0.001 0.000 0.257 1126 G HA3 0.372 4.332 3.960 0.001 0.000 0.257 1126 G C 0.585 175.600 174.900 0.192 0.000 1.259 1126 G CA 0.385 45.557 45.100 0.120 0.000 0.928 1126 G HN 0.465 nan 8.290 nan 0.000 0.615 1127 G N -1.208 107.655 108.800 0.107 0.000 2.513 1127 G HA2 0.534 4.495 3.960 0.001 0.000 0.317 1127 G HA3 0.534 4.495 3.960 0.001 0.000 0.317 1127 G C -0.031 174.902 174.900 0.056 0.000 1.277 1127 G CA -0.855 44.276 45.100 0.052 0.000 0.955 1127 G HN 0.593 nan 8.290 nan 0.000 0.484 1128 L N 0.334 121.570 121.223 0.022 0.000 2.472 1128 L HA 0.279 4.619 4.340 0.001 0.000 0.273 1128 L C 1.089 177.990 176.870 0.051 0.000 1.254 1128 L CA -0.139 54.722 54.840 0.035 0.000 0.823 1128 L CB 0.465 42.527 42.059 0.006 0.000 1.096 1128 L HN 0.507 nan 8.230 nan 0.000 0.521 1129 R N 0.255 120.784 120.500 0.048 0.000 2.532 1129 R HA 0.258 4.598 4.340 0.001 0.000 0.295 1129 R C -0.844 175.508 176.300 0.086 0.000 0.968 1129 R CA -0.488 55.651 56.100 0.066 0.000 0.916 1129 R CB 0.918 31.238 30.300 0.033 0.000 1.124 1129 R HN 0.451 nan 8.270 nan 0.000 0.463 1130 F N 4.108 124.049 119.950 -0.014 0.000 2.848 1130 F HA 0.403 4.930 4.527 0.001 0.000 0.321 1130 F C 0.629 176.423 175.800 -0.010 0.000 1.281 1130 F CA -0.397 57.598 58.000 -0.010 0.000 1.209 1130 F CB 0.405 39.389 39.000 -0.026 0.000 1.152 1130 F HN 0.776 nan 8.300 nan 0.000 0.521 1131 G N 0.876 109.681 108.800 0.009 0.000 2.597 1131 G HA2 -0.109 3.851 3.960 0.001 0.000 0.283 1131 G HA3 -0.109 3.851 3.960 0.001 0.000 0.283 1131 G C 0.923 175.819 174.900 -0.007 0.000 1.319 1131 G CA -0.128 44.978 45.100 0.011 0.000 1.054 1131 G HN 0.531 nan 8.290 nan 0.000 0.583 1132 E N -0.910 119.291 120.200 0.002 0.000 2.048 1132 E HA -0.232 4.119 4.350 0.001 0.000 0.202 1132 E C 2.796 179.376 176.600 -0.033 0.000 1.021 1132 E CA 1.643 58.045 56.400 0.004 0.000 0.825 1132 E CB -0.189 29.510 29.700 -0.001 0.000 0.756 1132 E HN 0.376 nan 8.360 nan 0.000 0.454 1133 M N 0.528 120.090 119.600 -0.063 0.000 2.204 1133 M HA -0.276 4.204 4.480 0.001 0.000 0.255 1133 M C 2.152 178.376 176.300 -0.126 0.000 1.073 1133 M CA 1.818 57.068 55.300 -0.084 0.000 1.084 1133 M CB -1.182 31.362 32.600 -0.094 0.000 1.289 1133 M HN 0.036 nan 8.290 nan 0.000 0.419 1134 E N -0.441 119.610 120.200 -0.248 0.000 2.058 1134 E HA -0.162 4.188 4.350 0.001 0.000 0.194 1134 E C 1.956 178.419 176.600 -0.229 0.000 0.997 1134 E CA 1.340 57.456 56.400 -0.474 0.000 0.801 1134 E CB -0.469 28.527 29.700 -1.174 0.000 0.746 1134 E HN 0.389 nan 8.360 nan 0.000 0.450 1135 R N 0.872 121.364 120.500 -0.013 0.000 2.148 1135 R HA -0.241 4.100 4.340 0.001 0.000 0.230 1135 R C 1.479 177.860 176.300 0.135 0.000 1.120 1135 R CA 2.291 58.533 56.100 0.237 0.000 0.902 1135 R CB -0.590 29.817 30.300 0.179 0.000 0.839 1135 R HN 0.140 nan 8.270 nan 0.000 0.431 1136 D N 0.447 120.881 120.400 0.057 0.000 2.412 1136 D HA -0.294 4.347 4.640 0.001 0.000 0.191 1136 D C 2.034 178.352 176.300 0.030 0.000 1.019 1136 D CA 1.947 55.964 54.000 0.030 0.000 0.866 1136 D CB -1.124 39.673 40.800 -0.005 0.000 0.966 1136 D HN 0.393 nan 8.370 nan 0.000 0.459 1137 C N 0.437 119.744 119.300 0.011 0.000 2.363 1137 C HA -0.234 4.227 4.460 0.001 0.000 0.274 1137 C C 2.825 177.864 174.990 0.080 0.000 1.183 1137 C CA 1.156 60.173 59.018 -0.002 0.000 1.771 1137 C CB -0.831 26.916 27.740 0.012 0.000 2.059 1137 C HN 0.389 nan 8.230 nan 0.000 0.455 1138 M N 0.160 119.895 119.600 0.225 0.000 2.108 1138 M HA -0.075 4.405 4.480 0.001 0.000 0.261 1138 M C 1.934 178.369 176.300 0.225 0.000 1.066 1138 M CA 1.586 57.085 55.300 0.332 0.000 1.107 1138 M CB -1.372 31.498 32.600 0.449 0.000 1.356 1138 M HN 0.397 nan 8.290 nan 0.000 0.406 1139 I N -0.113 120.547 120.570 0.150 0.000 2.454 1139 I HA -0.249 3.922 4.170 0.001 0.000 0.254 1139 I C 2.458 178.613 176.117 0.064 0.000 1.156 1139 I CA 1.005 62.364 61.300 0.098 0.000 1.433 1139 I CB -0.618 37.424 38.000 0.070 0.000 1.082 1139 I HN 0.208 nan 8.210 nan 0.000 0.432 1140 A N 0.016 122.852 122.820 0.026 0.000 1.897 1140 A HA -0.188 4.132 4.320 0.001 0.000 0.215 1140 A C 2.193 179.761 177.584 -0.026 0.000 1.181 1140 A CA 1.210 53.224 52.037 -0.039 0.000 0.620 1140 A CB -0.732 18.195 19.000 -0.122 0.000 0.821 1140 A HN 0.358 nan 8.150 nan 0.000 0.443 1141 H N -0.925 118.168 119.070 0.039 0.000 2.456 1141 H HA 0.005 4.562 4.556 0.001 0.000 0.296 1141 H C 1.908 177.256 175.328 0.033 0.000 1.079 1141 H CA 1.217 57.283 56.048 0.030 0.000 1.322 1141 H CB -0.161 29.621 29.762 0.033 0.000 1.388 1141 H HN 0.653 nan 8.280 nan 0.000 0.538 1142 G N -0.398 108.504 108.800 0.171 0.000 2.175 1142 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 1142 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 1142 G C 0.814 175.787 174.900 0.120 0.000 0.982 1142 G CA 0.401 45.570 45.100 0.115 0.000 0.641 1142 G HN 0.679 nan 8.290 nan 0.000 0.527 1143 A N 0.519 123.438 122.820 0.164 0.000 3.076 1143 A HA 0.698 5.018 4.320 0.001 0.000 0.269 1143 A C 1.998 179.691 177.584 0.182 0.000 1.916 1143 A CA 1.243 53.377 52.037 0.162 0.000 1.492 1143 A CB -0.808 18.302 19.000 0.183 0.000 1.000 1143 A HN 1.885 nan 8.150 nan 0.000 0.615 1144 A N 1.170 124.059 122.820 0.116 0.000 1.848 1144 A HA -0.166 4.154 4.320 0.001 0.000 0.217 1144 A C 2.551 180.173 177.584 0.065 0.000 1.220 1144 A CA 2.363 54.448 52.037 0.081 0.000 0.645 1144 A CB -1.185 17.849 19.000 0.056 0.000 0.842 1144 A HN 0.637 nan 8.150 nan 0.000 0.451 1145 S N -1.077 114.662 115.700 0.065 0.000 2.368 1145 S HA -0.216 4.254 4.470 0.001 0.000 0.226 1145 S C 1.695 176.314 174.600 0.032 0.000 1.044 1145 S CA 1.796 60.022 58.200 0.042 0.000 1.062 1145 S CB -0.671 62.560 63.200 0.052 0.000 0.931 1145 S HN 0.598 nan 8.310 nan 0.000 0.440 1146 F N 2.331 122.261 119.950 -0.034 0.000 2.065 1146 F HA -0.172 4.356 4.527 0.001 0.000 0.298 1146 F C 2.048 177.792 175.800 -0.093 0.000 1.112 1146 F CA 1.613 59.581 58.000 -0.054 0.000 1.212 1146 F CB -0.800 38.181 39.000 -0.031 0.000 0.975 1146 F HN 0.194 nan 8.300 nan 0.000 0.476 1147 L N 1.035 122.166 121.223 -0.154 0.000 1.956 1147 L HA -0.289 4.051 4.340 0.001 0.000 0.216 1147 L C 2.756 179.410 176.870 -0.359 0.000 1.073 1147 L CA 2.534 57.205 54.840 -0.282 0.000 0.762 1147 L CB -0.956 41.102 42.059 -0.001 0.000 0.889 1147 L HN 0.192 nan 8.230 nan 0.000 0.433 1148 K N 0.299 120.587 120.400 -0.186 0.000 2.089 1148 K HA -0.337 3.983 4.320 0.001 0.000 0.210 1148 K C 1.982 178.446 176.600 -0.225 0.000 1.048 1148 K CA 2.498 58.690 56.287 -0.158 0.000 0.926 1148 K CB -0.441 32.012 32.500 -0.079 0.000 0.714 1148 K HN 0.711 nan 8.250 nan 0.000 0.448 1149 E N -0.133 119.899 120.200 -0.281 0.000 2.106 1149 E HA -0.163 4.187 4.350 0.001 0.000 0.192 1149 E C 2.045 178.408 176.600 -0.396 0.000 0.984 1149 E CA 0.684 56.911 56.400 -0.289 0.000 0.806 1149 E CB 0.131 29.685 29.700 -0.243 0.000 0.750 1149 E HN 0.232 nan 8.360 nan 0.000 0.458 1150 R N -0.028 120.080 120.500 -0.654 0.000 2.062 1150 R HA -0.094 4.246 4.340 0.001 0.000 0.229 1150 R C 2.385 178.393 176.300 -0.487 0.000 1.128 1150 R CA 0.701 56.370 56.100 -0.718 0.000 0.960 1150 R CB -0.558 28.943 30.300 -1.332 0.000 0.855 1150 R HN 0.234 nan 8.270 nan 0.000 0.432 1151 L N 0.152 121.117 121.223 -0.431 0.000 2.083 1151 L HA -0.132 4.209 4.340 0.001 0.000 0.209 1151 L C 2.283 179.058 176.870 -0.159 0.000 1.083 1151 L CA 1.687 56.380 54.840 -0.243 0.000 0.752 1151 L CB -0.609 41.344 42.059 -0.177 0.000 0.899 1151 L HN 0.122 nan 8.230 nan 0.000 0.433 1152 M N -1.394 118.108 119.600 -0.163 0.000 2.247 1152 M HA 0.032 4.513 4.480 0.001 0.000 0.191 1152 M C 2.161 178.397 176.300 -0.108 0.000 1.331 1152 M CA 0.603 55.839 55.300 -0.108 0.000 1.215 1152 M CB -0.981 31.562 32.600 -0.096 0.000 0.979 1152 M HN -0.075 nan 8.290 nan 0.000 0.451 1153 E N 1.446 121.574 120.200 -0.120 0.000 2.136 1153 E HA -0.148 4.203 4.350 0.001 0.000 0.202 1153 E C 1.207 177.747 176.600 -0.099 0.000 1.019 1153 E CA 1.789 58.126 56.400 -0.105 0.000 0.819 1153 E CB -0.487 29.151 29.700 -0.103 0.000 0.739 1153 E HN 0.540 nan 8.360 nan 0.000 0.458 1154 A N -0.699 122.045 122.820 -0.127 0.000 2.840 1154 A HA 0.461 4.781 4.320 0.001 0.000 0.269 1154 A C 0.658 178.182 177.584 -0.100 0.000 1.439 1154 A CA 0.580 52.548 52.037 -0.114 0.000 1.083 1154 A CB -0.085 18.829 19.000 -0.142 0.000 1.019 1154 A HN 0.100 nan 8.150 nan 0.000 0.607 1155 S N -1.649 114.002 115.700 -0.082 0.000 4.335 1155 S HA 0.064 4.535 4.470 0.001 0.000 0.258 1155 S C -0.077 174.499 174.600 -0.041 0.000 0.994 1155 S CA 0.280 58.444 58.200 -0.060 0.000 1.232 1155 S CB -0.561 62.599 63.200 -0.066 0.000 1.887 1155 S HN 0.299 nan 8.310 nan 0.000 0.421 1156 D N 1.581 121.974 120.400 -0.012 0.000 2.062 1156 D HA 0.162 4.803 4.640 0.001 0.000 0.249 1156 D C 0.892 177.228 176.300 0.060 0.000 1.114 1156 D CA 2.039 56.066 54.000 0.044 0.000 0.990 1156 D CB -1.139 39.716 40.800 0.092 0.000 1.442 1156 D HN 1.431 nan 8.370 nan 0.000 0.533 1157 A N 0.010 122.880 122.820 0.082 0.000 1.524 1157 A HA -0.116 4.204 4.320 0.001 0.000 0.196 1157 A C -0.474 177.246 177.584 0.226 0.000 1.263 1157 A CA 0.398 52.482 52.037 0.079 0.000 0.624 1157 A CB -1.775 17.214 19.000 -0.017 0.000 1.151 1157 A HN 0.311 nan 8.150 nan 0.000 0.179 1158 F N 3.269 123.263 119.950 0.073 0.000 2.613 1158 F HA 0.785 5.313 4.527 0.001 0.000 0.310 1158 F C -0.210 175.690 175.800 0.166 0.000 1.085 1158 F CA -1.432 56.645 58.000 0.129 0.000 0.945 1158 F CB 1.548 40.684 39.000 0.226 0.000 1.298 1158 F HN 0.674 nan 8.300 nan 0.000 0.455 1159 R N 4.751 125.089 120.500 -0.270 0.000 2.288 1159 R HA 0.655 4.996 4.340 0.001 0.000 0.326 1159 R C -1.998 173.785 176.300 -0.862 0.000 0.959 1159 R CA -0.211 55.682 56.100 -0.345 0.000 0.834 1159 R CB 0.887 31.176 30.300 -0.019 0.000 1.157 1159 R HN 0.573 nan 8.270 nan 0.000 0.470 1160 V N 3.837 123.312 119.914 -0.733 0.000 3.103 1160 V HA 0.482 4.603 4.120 0.001 0.000 0.318 1160 V C 0.028 175.798 176.094 -0.540 0.000 1.114 1160 V CA -0.855 61.074 62.300 -0.618 0.000 1.020 1160 V CB 2.222 33.792 31.823 -0.422 0.000 1.085 1160 V HN 0.702 nan 8.190 nan 0.000 0.446 1161 H N 1.637 120.619 119.070 -0.147 0.000 2.567 1161 H HA 0.730 5.286 4.556 0.001 0.000 0.345 1161 H C -0.877 174.394 175.328 -0.096 0.000 1.169 1161 H CA -0.310 55.657 56.048 -0.136 0.000 1.227 1161 H CB 2.100 31.774 29.762 -0.147 0.000 1.607 1161 H HN 0.426 nan 8.280 nan 0.000 0.534 1162 I N 0.212 120.814 120.570 0.054 0.000 2.969 1162 I HA 0.150 4.321 4.170 0.001 0.000 0.307 1162 I C -0.131 175.996 176.117 0.016 0.000 1.149 1162 I CA -0.984 60.324 61.300 0.014 0.000 1.008 1162 I CB 2.383 40.366 38.000 -0.028 0.000 1.232 1162 I HN 0.443 nan 8.210 nan 0.000 0.435 1163 C N 3.132 122.435 119.300 0.004 0.000 2.464 1163 C HA 0.449 4.909 4.460 0.001 0.000 0.370 1163 C C 1.802 176.775 174.990 -0.028 0.000 1.267 1163 C CA 0.098 59.119 59.018 0.005 0.000 1.781 1163 C CB -0.429 27.317 27.740 0.011 0.000 2.431 1163 C HN 1.051 nan 8.230 nan 0.000 0.556 1164 G N 5.159 113.957 108.800 -0.003 0.000 2.479 1164 G HA2 -0.126 3.834 3.960 0.001 0.000 0.220 1164 G HA3 -0.126 3.834 3.960 0.001 0.000 0.220 1164 G C 1.030 175.762 174.900 -0.280 0.000 1.115 1164 G CA 1.363 46.374 45.100 -0.148 0.000 0.757 1164 G HN 0.846 nan 8.290 nan 0.000 0.560 1165 I N 0.666 121.163 120.570 -0.122 0.000 3.158 1165 I HA 0.033 4.204 4.170 0.001 0.000 0.224 1165 I C 1.596 177.758 176.117 0.076 0.000 1.041 1165 I CA 0.104 61.361 61.300 -0.072 0.000 1.433 1165 I CB -0.851 37.143 38.000 -0.011 0.000 1.288 1165 I HN 0.181 nan 8.210 nan 0.000 0.424 1166 C N 2.823 122.167 119.300 0.075 0.000 2.610 1166 C HA 0.489 4.949 4.460 0.001 0.000 0.382 1166 C C 1.239 176.284 174.990 0.091 0.000 1.287 1166 C CA -1.497 57.578 59.018 0.096 0.000 1.640 1166 C CB -1.427 26.338 27.740 0.043 0.000 2.335 1166 C HN 0.616 nan 8.230 nan 0.000 0.577 1167 G N 5.116 114.014 108.800 0.163 0.000 2.595 1167 G HA2 0.341 4.301 3.960 0.001 0.000 0.287 1167 G HA3 0.341 4.301 3.960 0.001 0.000 0.287 1167 G C -0.225 174.660 174.900 -0.025 0.000 0.660 1167 G CA 0.041 45.191 45.100 0.083 0.000 2.101 1167 G HN 0.880 nan 8.290 nan 0.000 0.529 1168 L N 0.826 122.041 121.223 -0.014 0.000 2.277 1168 L HA 0.426 4.767 4.340 0.001 0.000 0.254 1168 L C 1.152 178.020 176.870 -0.003 0.000 1.044 1168 L CA -1.306 53.523 54.840 -0.018 0.000 0.842 1168 L CB 1.930 43.991 42.059 0.003 0.000 1.422 1168 L HN 0.189 nan 8.230 nan 0.000 0.422 1169 M N -0.801 118.809 119.600 0.017 0.000 2.476 1169 M HA 0.003 4.483 4.480 0.001 0.000 0.262 1169 M C 1.859 178.194 176.300 0.060 0.000 1.111 1169 M CA 0.618 55.943 55.300 0.042 0.000 1.127 1169 M CB -0.867 31.771 32.600 0.063 0.000 1.376 1169 M HN 0.786 nan 8.290 nan 0.000 0.465 1170 T N 1.566 116.151 114.554 0.050 0.000 2.522 1170 T HA -0.210 4.140 4.350 0.001 0.000 0.253 1170 T C 1.061 175.803 174.700 0.069 0.000 1.218 1170 T CA 1.346 63.479 62.100 0.055 0.000 1.155 1170 T CB -1.444 67.449 68.868 0.042 0.000 0.855 1170 T HN 0.280 nan 8.240 nan 0.000 0.435 1171 V N 2.846 122.796 119.914 0.061 0.000 4.090 1171 V HA -0.173 3.947 4.120 0.001 0.000 0.255 1171 V C 0.803 176.955 176.094 0.097 0.000 1.081 1171 V CA 0.289 62.628 62.300 0.066 0.000 1.093 1171 V CB -1.425 30.424 31.823 0.043 0.000 0.664 1171 V HN 0.456 nan 8.190 nan 0.000 0.374 1172 I N 4.700 125.329 120.570 0.098 0.000 2.366 1172 I HA 0.178 4.348 4.170 0.001 0.000 0.302 1172 I C 1.208 177.402 176.117 0.129 0.000 1.194 1172 I CA 0.292 61.654 61.300 0.102 0.000 1.667 1172 I CB -0.100 37.944 38.000 0.075 0.000 1.501 1172 I HN 0.762 nan 8.210 nan 0.000 0.776 1173 A N 6.051 128.968 122.820 0.160 0.000 2.409 1173 A HA 0.242 4.563 4.320 0.001 0.000 0.267 1173 A C 0.850 178.477 177.584 0.072 0.000 1.127 1173 A CA -0.228 51.934 52.037 0.207 0.000 0.795 1173 A CB 0.209 19.265 19.000 0.093 0.000 1.061 1173 A HN 0.638 nan 8.150 nan 0.000 0.502 1174 K N 2.761 123.114 120.400 -0.079 0.000 2.514 1174 K HA 0.214 4.535 4.320 0.001 0.000 0.207 1174 K C -0.451 176.072 176.600 -0.128 0.000 1.035 1174 K CA -0.226 56.023 56.287 -0.062 0.000 1.113 1174 K CB -0.077 32.414 32.500 -0.015 0.000 0.846 1174 K HN 0.781 nan 8.250 nan 0.000 0.491 1175 L N 2.128 123.284 121.223 -0.112 0.000 6.763 1175 L HA -0.304 4.037 4.340 0.001 0.000 0.442 1175 L C 0.874 177.667 176.870 -0.129 0.000 1.594 1175 L CA 0.469 55.266 54.840 -0.070 0.000 0.600 1175 L CB -1.324 40.791 42.059 0.093 0.000 1.373 1175 L HN 0.520 nan 8.230 nan 0.000 0.444 1176 N N -0.934 117.620 118.700 -0.243 0.000 2.439 1176 N HA -0.064 4.676 4.740 0.001 0.000 0.318 1176 N C 0.940 176.185 175.510 -0.442 0.000 0.676 1176 N CA -0.027 52.804 53.050 -0.365 0.000 0.624 1176 N CB 0.454 38.627 38.487 -0.522 0.000 2.376 1176 N HN 0.553 nan 8.380 nan 0.000 1.245 1177 H N 1.316 120.304 119.070 -0.136 0.000 2.672 1177 H HA 0.392 4.949 4.556 0.001 0.000 0.277 1177 H C 0.267 175.460 175.328 -0.225 0.000 1.074 1177 H CA -0.154 55.809 56.048 -0.142 0.000 1.173 1177 H CB 0.603 30.294 29.762 -0.119 0.000 1.558 1177 H HN 0.296 nan 8.280 nan 0.000 0.539 1178 N N 0.713 119.250 118.700 -0.271 0.000 2.887 1178 N HA -0.232 4.509 4.740 0.001 0.000 0.219 1178 N C 0.263 175.229 175.510 -0.906 0.000 0.855 1178 N CA 1.181 53.918 53.050 -0.522 0.000 1.164 1178 N CB -0.847 37.484 38.487 -0.259 0.000 0.969 1178 N HN 0.502 nan 8.380 nan 0.000 0.610 1179 Q N -0.596 118.918 119.800 -0.476 0.000 2.375 1179 Q HA -0.018 4.322 4.340 0.001 0.000 0.344 1179 Q C 0.686 176.359 176.000 -0.546 0.000 1.169 1179 Q CA 1.065 56.654 55.803 -0.357 0.000 1.035 1179 Q CB 0.056 28.703 28.738 -0.151 0.000 1.222 1179 Q HN 0.466 nan 8.270 nan 0.000 0.412 1180 F N -0.749 119.172 119.950 -0.049 0.000 2.815 1180 F HA 0.093 4.620 4.527 0.001 0.000 0.328 1180 F C 0.818 176.588 175.800 -0.050 0.000 0.982 1180 F CA -0.432 57.521 58.000 -0.078 0.000 1.154 1180 F CB 0.718 39.655 39.000 -0.105 0.000 0.980 1180 F HN 0.627 nan 8.300 nan 0.000 0.603 1181 E N -0.411 119.879 120.200 0.150 0.000 4.152 1181 E HA -0.429 3.921 4.350 0.001 0.000 0.222 1181 E C 0.266 176.913 176.600 0.079 0.000 1.547 1181 E CA 1.661 58.114 56.400 0.088 0.000 2.561 1181 E CB -0.359 29.376 29.700 0.058 0.000 2.142 1181 E HN 0.521 nan 8.360 nan 0.000 0.416 1182 C N 0.114 119.447 119.300 0.055 0.000 5.109 1182 C HA 0.017 4.478 4.460 0.001 0.000 0.265 1182 C C -0.511 174.500 174.990 0.035 0.000 1.366 1182 C CA 0.192 59.237 59.018 0.046 0.000 1.749 1182 C CB -1.588 26.177 27.740 0.040 0.000 2.203 1182 C HN 0.683 nan 8.230 nan 0.000 0.666 1183 K N 1.250 121.670 120.400 0.033 0.000 2.570 1183 K HA 0.385 4.706 4.320 0.001 0.000 0.274 1183 K C 1.578 178.193 176.600 0.024 0.000 0.967 1183 K CA 1.559 57.861 56.287 0.026 0.000 0.963 1183 K CB -0.387 32.127 32.500 0.023 0.000 0.883 1183 K HN 1.913 nan 8.250 nan 0.000 0.519 1184 G N -1.248 107.563 108.800 0.020 0.000 2.284 1184 G HA2 -0.347 3.614 3.960 0.001 0.000 0.247 1184 G HA3 -0.347 3.614 3.960 0.001 0.000 0.247 1184 G C 1.064 175.975 174.900 0.018 0.000 1.012 1184 G CA 0.285 45.396 45.100 0.018 0.000 0.618 1184 G HN 0.718 nan 8.290 nan 0.000 0.521 1185 C N -0.118 119.194 119.300 0.020 0.000 3.480 1185 C HA 0.482 4.943 4.460 0.001 0.000 0.480 1185 C C 0.557 175.558 174.990 0.019 0.000 1.410 1185 C CA 1.026 60.056 59.018 0.019 0.000 2.172 1185 C CB -0.128 27.624 27.740 0.021 0.000 3.162 1185 C HN 0.854 nan 8.230 nan 0.000 0.635 1186 D N 1.757 122.170 120.400 0.021 0.000 4.733 1186 D HA -0.134 4.507 4.640 0.001 0.000 0.239 1186 D C -0.399 175.915 176.300 0.022 0.000 1.075 1186 D CA 0.924 54.937 54.000 0.021 0.000 1.258 1186 D CB -0.405 40.405 40.800 0.016 0.000 0.761 1186 D HN 0.623 nan 8.370 nan 0.000 0.378 1187 N N 2.002 120.719 118.700 0.029 0.000 2.698 1187 N HA 0.325 5.065 4.740 0.001 0.000 0.186 1187 N C 0.003 175.539 175.510 0.043 0.000 1.712 1187 N CA 0.423 53.492 53.050 0.032 0.000 1.153 1187 N CB 0.577 39.084 38.487 0.032 0.000 2.112 1187 N HN 0.496 nan 8.380 nan 0.000 0.308 1188 K N -0.637 119.803 120.400 0.066 0.000 3.368 1188 K HA -0.031 4.289 4.320 0.001 0.000 0.263 1188 K C 0.470 177.124 176.600 0.089 0.000 1.335 1188 K CA 0.566 56.914 56.287 0.102 0.000 0.890 1188 K CB -1.289 31.250 32.500 0.064 0.000 1.605 1188 K HN 0.353 nan 8.250 nan 0.000 0.517 1189 I N -0.345 120.254 120.570 0.048 0.000 3.650 1189 I HA 0.037 4.208 4.170 0.001 0.000 0.261 1189 I C 0.094 176.201 176.117 -0.016 0.000 1.154 1189 I CA -0.152 61.160 61.300 0.019 0.000 1.418 1189 I CB 0.569 38.576 38.000 0.011 0.000 1.539 1189 I HN -0.013 nan 8.210 nan 0.000 0.449 1190 D N 2.295 122.695 120.400 -0.000 0.000 2.468 1190 D HA 0.471 5.111 4.640 0.001 0.000 0.218 1190 D C -0.809 175.516 176.300 0.042 0.000 1.155 1190 D CA 0.317 54.333 54.000 0.025 0.000 0.924 1190 D CB 0.227 41.067 40.800 0.068 0.000 1.029 1190 D HN 0.048 nan 8.370 nan 0.000 0.515 1191 I N 3.640 124.156 120.570 -0.090 0.000 2.534 1191 I HA 0.216 4.386 4.170 0.001 0.000 0.286 1191 I C -1.107 174.878 176.117 -0.219 0.000 1.094 1191 I CA -0.891 60.341 61.300 -0.113 0.000 1.055 1191 I CB 1.205 38.987 38.000 -0.363 0.000 1.225 1191 I HN 0.140 nan 8.210 nan 0.000 0.435 1192 Y N 3.930 124.124 120.300 -0.178 0.000 2.528 1192 Y HA 0.532 5.083 4.550 0.001 0.000 0.335 1192 Y C 0.120 175.944 175.900 -0.126 0.000 1.093 1192 Y CA -1.090 56.922 58.100 -0.148 0.000 1.134 1192 Y CB 1.364 39.745 38.460 -0.131 0.000 1.253 1192 Y HN 0.451 nan 8.280 nan 0.000 0.478 1193 Q N 3.185 122.971 119.800 -0.023 0.000 2.337 1193 Q HA 0.794 5.134 4.340 0.001 0.000 0.266 1193 Q C -1.344 174.495 176.000 -0.269 0.000 1.023 1193 Q CA -0.853 54.806 55.803 -0.240 0.000 0.829 1193 Q CB 2.224 30.755 28.738 -0.344 0.000 1.306 1193 Q HN 0.777 nan 8.270 nan 0.000 0.449 1194 I N -1.258 119.126 120.570 -0.310 0.000 2.828 1194 I HA 0.519 4.690 4.170 0.001 0.000 0.302 1194 I C -1.084 174.902 176.117 -0.219 0.000 1.101 1194 I CA -1.305 59.845 61.300 -0.248 0.000 1.031 1194 I CB 2.337 40.268 38.000 -0.115 0.000 1.231 1194 I HN 0.616 nan 8.210 nan 0.000 0.427 1195 H N 5.793 124.814 119.070 -0.080 0.000 2.594 1195 H HA 0.718 5.274 4.556 0.001 0.000 0.304 1195 H C -0.371 174.947 175.328 -0.016 0.000 1.068 1195 H CA -0.354 55.661 56.048 -0.056 0.000 1.308 1195 H CB 1.255 30.999 29.762 -0.030 0.000 1.409 1195 H HN 0.726 nan 8.280 nan 0.000 0.460 1196 I N 0.510 121.159 120.570 0.132 0.000 3.195 1196 I HA 0.557 4.728 4.170 0.001 0.000 0.313 1196 I C -2.928 173.264 176.117 0.125 0.000 1.237 1196 I CA -2.787 58.580 61.300 0.111 0.000 0.963 1196 I CB 2.865 40.941 38.000 0.128 0.000 1.278 1196 I HN 0.156 nan 8.210 nan 0.000 0.460 1197 P HA -0.018 nan 4.420 nan 0.000 0.271 1197 P C -0.197 177.181 177.300 0.131 0.000 1.216 1197 P CA 0.266 63.421 63.100 0.093 0.000 0.776 1197 P CB 0.588 32.301 31.700 0.022 0.000 0.881 1198 Y N 3.463 123.818 120.300 0.091 0.000 2.403 1198 Y HA -0.125 4.426 4.550 0.001 0.000 0.291 1198 Y C 2.314 178.214 175.900 -0.000 0.000 1.143 1198 Y CA 1.963 60.117 58.100 0.090 0.000 1.257 1198 Y CB -0.498 37.938 38.460 -0.040 0.000 0.984 1198 Y HN 0.455 nan 8.280 nan 0.000 0.550 1199 A N -0.775 122.059 122.820 0.024 0.000 2.238 1199 A HA 0.271 4.592 4.320 0.001 0.000 0.208 1199 A C 2.071 179.519 177.584 -0.227 0.000 1.177 1199 A CA 0.909 52.903 52.037 -0.072 0.000 0.804 1199 A CB -0.881 18.106 19.000 -0.022 0.000 0.823 1199 A HN 0.509 nan 8.150 nan 0.000 0.482 1200 A N 1.139 123.799 122.820 -0.267 0.000 1.881 1200 A HA 0.087 4.408 4.320 0.001 0.000 0.210 1200 A C 2.003 179.130 177.584 -0.762 0.000 1.239 1200 A CA 1.246 52.955 52.037 -0.548 0.000 0.629 1200 A CB -0.495 18.345 19.000 -0.266 0.000 0.906 1200 A HN 0.518 nan 8.150 nan 0.000 0.460 1201 K N 0.105 120.333 120.400 -0.287 0.000 2.107 1201 K HA -0.199 4.121 4.320 0.001 0.000 0.211 1201 K C 1.833 178.311 176.600 -0.203 0.000 1.049 1201 K CA 2.080 58.320 56.287 -0.078 0.000 0.927 1201 K CB -0.631 31.838 32.500 -0.052 0.000 0.714 1201 K HN 0.374 nan 8.250 nan 0.000 0.452 1202 L N 0.478 121.491 121.223 -0.350 0.000 1.976 1202 L HA -0.184 4.156 4.340 0.001 0.000 0.209 1202 L C 2.627 179.360 176.870 -0.229 0.000 1.071 1202 L CA 1.239 55.920 54.840 -0.264 0.000 0.746 1202 L CB -0.477 41.432 42.059 -0.251 0.000 0.890 1202 L HN 0.376 nan 8.230 nan 0.000 0.432 1203 L N -0.295 120.706 121.223 -0.370 0.000 2.034 1203 L HA -0.313 4.027 4.340 0.001 0.000 0.217 1203 L C 2.162 178.934 176.870 -0.163 0.000 1.077 1203 L CA 2.078 56.722 54.840 -0.326 0.000 0.769 1203 L CB -0.781 40.970 42.059 -0.512 0.000 0.890 1203 L HN 0.151 nan 8.230 nan 0.000 0.435 1204 F N -0.728 119.201 119.950 -0.035 0.000 2.031 1204 F HA -0.260 4.268 4.527 0.001 0.000 0.295 1204 F C 2.686 178.471 175.800 -0.025 0.000 1.133 1204 F CA 1.293 59.275 58.000 -0.030 0.000 1.188 1204 F CB -0.782 38.199 39.000 -0.032 0.000 0.974 1204 F HN 0.087 nan 8.300 nan 0.000 0.473 1205 Q N 0.450 120.343 119.800 0.156 0.000 2.133 1205 Q HA -0.268 4.072 4.340 0.001 0.000 0.208 1205 Q C 1.983 178.015 176.000 0.053 0.000 0.991 1205 Q CA 2.179 58.031 55.803 0.081 0.000 0.867 1205 Q CB -0.296 28.466 28.738 0.039 0.000 0.911 1205 Q HN 0.530 nan 8.270 nan 0.000 0.417 1206 E N 0.120 120.337 120.200 0.029 0.000 2.077 1206 E HA -0.180 4.171 4.350 0.001 0.000 0.193 1206 E C 2.026 178.646 176.600 0.034 0.000 0.989 1206 E CA 0.905 57.316 56.400 0.018 0.000 0.800 1206 E CB -0.118 29.579 29.700 -0.006 0.000 0.746 1206 E HN 0.378 nan 8.360 nan 0.000 0.452 1207 L N 0.157 121.414 121.223 0.058 0.000 2.141 1207 L HA -0.146 4.194 4.340 0.001 0.000 0.209 1207 L C 2.530 179.429 176.870 0.048 0.000 1.094 1207 L CA 0.883 55.758 54.840 0.059 0.000 0.763 1207 L CB -0.307 41.809 42.059 0.095 0.000 0.908 1207 L HN 0.212 nan 8.230 nan 0.000 0.437 1208 M N -0.423 119.211 119.600 0.057 0.000 2.132 1208 M HA -0.153 4.328 4.480 0.001 0.000 0.263 1208 M C 2.453 178.771 176.300 0.030 0.000 1.065 1208 M CA 1.863 57.187 55.300 0.040 0.000 1.122 1208 M CB -0.443 32.184 32.600 0.046 0.000 1.365 1208 M HN 0.269 nan 8.290 nan 0.000 0.411 1209 A N -0.406 122.433 122.820 0.031 0.000 2.125 1209 A HA -0.088 4.233 4.320 0.001 0.000 0.219 1209 A C 1.962 179.558 177.584 0.020 0.000 1.156 1209 A CA 1.271 53.323 52.037 0.025 0.000 0.671 1209 A CB -0.605 18.410 19.000 0.024 0.000 0.794 1209 A HN 0.506 nan 8.150 nan 0.000 0.459 1210 M N -0.745 118.867 119.600 0.020 0.000 2.453 1210 M HA 0.115 4.595 4.480 0.001 0.000 0.239 1210 M C 0.164 176.472 176.300 0.013 0.000 1.151 1210 M CA -0.114 55.196 55.300 0.016 0.000 0.989 1210 M CB 0.077 32.686 32.600 0.016 0.000 1.548 1210 M HN 0.506 nan 8.290 nan 0.000 0.479 1211 N N 2.241 120.950 118.700 0.015 0.000 2.699 1211 N HA -0.161 4.580 4.740 0.001 0.000 0.257 1211 N C -1.539 173.974 175.510 0.006 0.000 1.077 1211 N CA 0.644 53.700 53.050 0.010 0.000 0.702 1211 N CB -0.718 37.774 38.487 0.007 0.000 0.886 1211 N HN 0.388 nan 8.380 nan 0.000 0.549 1212 I N 1.400 121.975 120.570 0.009 0.000 2.569 1212 I HA 0.139 4.310 4.170 0.001 0.000 0.290 1212 I C 0.467 176.581 176.117 -0.005 0.000 1.088 1212 I CA -0.675 60.626 61.300 0.001 0.000 1.047 1212 I CB 2.164 40.169 38.000 0.007 0.000 1.237 1212 I HN 0.210 nan 8.210 nan 0.000 0.421 1213 T N 3.586 118.124 114.554 -0.025 0.000 2.747 1213 T HA 0.453 4.804 4.350 0.001 0.000 0.301 1213 T C -2.228 172.423 174.700 -0.082 0.000 0.952 1213 T CA -1.445 60.627 62.100 -0.047 0.000 0.983 1213 T CB 0.629 69.466 68.868 -0.051 0.000 0.930 1213 T HN 0.360 nan 8.240 nan 0.000 0.494 1214 P HA 0.348 nan 4.420 nan 0.000 0.253 1214 P C -0.408 176.727 177.300 -0.275 0.000 1.667 1214 P CA -0.733 62.250 63.100 -0.195 0.000 1.118 1214 P CB 0.580 32.154 31.700 -0.208 0.000 1.595 1215 R N 2.986 123.342 120.500 -0.241 0.000 2.438 1215 R HA 0.402 4.743 4.340 0.001 0.000 0.287 1215 R C 0.160 176.313 176.300 -0.245 0.000 1.077 1215 R CA -0.522 55.436 56.100 -0.237 0.000 1.034 1215 R CB 0.840 30.948 30.300 -0.319 0.000 0.993 1215 R HN 0.537 nan 8.270 nan 0.000 0.459 1216 L N 4.541 125.682 121.223 -0.136 0.000 2.294 1216 L HA 0.359 4.700 4.340 0.001 0.000 0.283 1216 L C -0.914 176.040 176.870 0.139 0.000 1.015 1216 L CA -0.742 54.044 54.840 -0.091 0.000 0.831 1216 L CB 0.667 42.624 42.059 -0.169 0.000 1.217 1216 L HN 0.363 nan 8.230 nan 0.000 0.420 1217 Y N 1.147 121.332 120.300 -0.191 0.000 2.328 1217 Y HA 0.172 4.722 4.550 0.001 0.000 0.336 1217 Y C 1.493 177.259 175.900 -0.222 0.000 0.960 1217 Y CA -1.467 56.508 58.100 -0.209 0.000 1.134 1217 Y CB 2.010 40.377 38.460 -0.155 0.000 1.166 1217 Y HN 0.578 nan 8.280 nan 0.000 0.464 1218 T N -1.893 112.483 114.554 -0.297 0.000 3.163 1218 T HA 0.058 4.408 4.350 0.001 0.000 0.260 1218 T C -0.377 174.223 174.700 -0.166 0.000 1.156 1218 T CA 0.450 62.384 62.100 -0.276 0.000 1.072 1218 T CB -0.582 67.981 68.868 -0.508 0.000 0.937 1218 T HN 0.571 nan 8.240 nan 0.000 0.528 1219 D N -0.060 120.261 120.400 -0.130 0.000 2.977 1219 D HA 0.302 4.943 4.640 0.001 0.000 0.220 1219 D C -0.417 175.891 176.300 0.014 0.000 1.267 1219 D CA -1.076 52.890 54.000 -0.057 0.000 0.884 1219 D CB 1.146 41.901 40.800 -0.075 0.000 1.667 1219 D HN 0.353 nan 8.370 nan 0.000 0.536 1220 R N 0.659 121.176 120.500 0.028 0.000 2.582 1220 R HA 0.631 4.972 4.340 0.001 0.000 0.271 1220 R C -0.072 176.261 176.300 0.055 0.000 1.078 1220 R CA -0.392 55.740 56.100 0.053 0.000 1.127 1220 R CB 0.998 31.324 30.300 0.042 0.000 1.038 1220 R HN 0.588 nan 8.270 nan 0.000 0.500 1221 S N 0.912 116.655 115.700 0.071 0.000 3.171 1221 S HA 0.011 4.481 4.470 0.001 0.000 0.258 1221 S C 1.743 176.384 174.600 0.069 0.000 1.083 1221 S CA -0.529 57.709 58.200 0.064 0.000 0.801 1221 S CB -0.291 62.956 63.200 0.079 0.000 0.831 1221 S HN 0.685 nan 8.310 nan 0.000 0.462 1222 R N 1.745 122.290 120.500 0.074 0.000 2.276 1222 R HA -0.159 4.182 4.340 0.001 0.000 0.243 1222 R C 0.506 176.908 176.300 0.169 0.000 1.161 1222 R CA 1.548 57.708 56.100 0.100 0.000 1.007 1222 R CB -0.681 29.658 30.300 0.064 0.000 0.867 1222 R HN 0.619 nan 8.270 nan 0.000 0.472 1223 D N -2.063 118.415 120.400 0.131 0.000 3.639 1223 D HA -0.314 4.326 4.640 0.001 0.000 0.162 1223 D C 0.028 176.483 176.300 0.259 0.000 1.054 1223 D CA 1.872 55.953 54.000 0.135 0.000 1.085 1223 D CB -0.735 40.104 40.800 0.066 0.000 0.547 1223 D HN 0.073 nan 8.370 nan 0.000 0.595 1224 F N 0.000 119.949 119.950 -0.001 0.000 2.286 1224 F HA 0.000 4.528 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574