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 1r5u_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGXX DATA SEQUENCE XXXXXXXAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.280 176.300 -0.034 0.000 2.045 20 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 20 D CB 0.000 40.791 40.800 -0.016 0.000 0.688 21 E N -0.264 119.903 120.200 -0.054 0.000 2.511 21 E HA 0.006 4.356 4.350 -0.000 0.000 0.196 21 E C 0.496 177.038 176.600 -0.097 0.000 1.066 21 E CA 0.472 56.820 56.400 -0.087 0.000 0.871 21 E CB 0.177 29.804 29.700 -0.121 0.000 0.863 21 E HN 0.115 nan 8.360 nan 0.000 0.520 22 S N 0.709 116.373 115.700 -0.060 0.000 2.470 22 S HA 0.223 4.693 4.470 -0.000 0.000 0.222 22 S C 1.100 175.688 174.600 -0.020 0.000 1.024 22 S CA 0.136 58.309 58.200 -0.045 0.000 0.931 22 S CB 0.210 63.390 63.200 -0.034 0.000 0.791 22 S HN 0.507 nan 8.310 nan 0.000 0.513 23 A N 3.621 126.432 122.820 -0.014 0.000 2.609 23 A HA 0.203 4.523 4.320 -0.000 0.000 0.235 23 A C -1.677 175.913 177.584 0.011 0.000 1.092 23 A CA -0.408 51.631 52.037 0.003 0.000 0.780 23 A CB -0.475 18.527 19.000 0.004 0.000 1.031 23 A HN 0.219 nan 8.150 nan 0.000 0.515 24 P HA 0.474 nan 4.420 nan 0.000 0.297 24 P C -0.441 176.859 177.300 -0.001 0.000 1.303 24 P CA -0.176 62.933 63.100 0.015 0.000 0.753 24 P CB 0.548 32.269 31.700 0.036 0.000 1.281 25 I N -1.422 119.128 120.570 -0.033 0.000 3.133 25 I HA 0.472 4.642 4.170 -0.000 0.000 0.311 25 I C 0.753 176.848 176.117 -0.036 0.000 1.072 25 I CA -0.721 60.554 61.300 -0.041 0.000 1.015 25 I CB 1.789 39.721 38.000 -0.113 0.000 1.233 25 I HN 0.358 nan 8.210 nan 0.000 0.473 26 T N -1.315 113.234 114.554 -0.008 0.000 2.926 26 T HA 0.646 4.996 4.350 -0.000 0.000 0.289 26 T C 0.675 175.395 174.700 0.034 0.000 1.054 26 T CA -0.225 61.883 62.100 0.013 0.000 1.015 26 T CB 1.720 70.615 68.868 0.046 0.000 1.167 26 T HN 0.644 nan 8.240 nan 0.000 0.526 27 A N 0.933 123.789 122.820 0.059 0.000 1.848 27 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 27 A C 2.142 179.855 177.584 0.216 0.000 1.220 27 A CA 2.526 54.630 52.037 0.111 0.000 0.645 27 A CB -1.689 17.394 19.000 0.139 0.000 0.842 27 A HN 1.094 nan 8.150 nan 0.000 0.451 28 E N 0.250 120.608 120.200 0.264 0.000 2.236 28 E HA -0.262 4.088 4.350 -0.000 0.000 0.205 28 E C 1.304 178.108 176.600 0.340 0.000 1.028 28 E CA 2.003 58.612 56.400 0.350 0.000 0.827 28 E CB -0.479 29.361 29.700 0.233 0.000 0.735 28 E HN 0.577 nan 8.360 nan 0.000 0.470 29 D N -1.093 119.438 120.400 0.218 0.000 2.348 29 D HA -0.052 4.588 4.640 -0.000 0.000 0.216 29 D C 1.720 178.149 176.300 0.215 0.000 0.970 29 D CA 1.066 55.182 54.000 0.194 0.000 0.889 29 D CB -0.093 40.774 40.800 0.112 0.000 0.912 29 D HN 0.373 nan 8.370 nan 0.000 0.524 30 S N -0.837 114.982 115.700 0.199 0.000 2.406 30 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 30 S C 1.932 176.606 174.600 0.124 0.000 1.020 30 S CA 0.191 58.512 58.200 0.202 0.000 0.965 30 S CB -0.916 62.387 63.200 0.171 0.000 0.798 30 S HN 0.337 nan 8.310 nan 0.000 0.488 31 W N 2.389 123.846 121.300 0.262 0.000 2.341 31 W HA 0.004 4.664 4.660 -0.000 0.000 0.283 31 W C 2.857 179.528 176.519 0.253 0.000 1.215 31 W CA 0.834 58.315 57.345 0.226 0.000 1.211 31 W CB -0.485 29.092 29.460 0.195 0.000 1.131 31 W HN 0.454 nan 8.180 nan 0.000 0.552 32 A N -0.267 122.802 122.820 0.416 0.000 1.873 32 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 32 A C 1.998 179.783 177.584 0.335 0.000 1.186 32 A CA 1.943 54.197 52.037 0.362 0.000 0.616 32 A CB -1.133 18.052 19.000 0.308 0.000 0.823 32 A HN 0.068 nan 8.150 nan 0.000 0.442 33 V N 0.434 120.547 119.914 0.332 0.000 2.469 33 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 33 V C 2.369 178.623 176.094 0.267 0.000 1.064 33 V CA 2.032 64.550 62.300 0.364 0.000 1.066 33 V CB -0.717 31.382 31.823 0.460 0.000 0.667 33 V HN 0.561 nan 8.190 nan 0.000 0.461 34 I N -0.516 120.133 120.570 0.131 0.000 2.193 34 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 34 I C 2.584 178.731 176.117 0.050 0.000 1.084 34 I CA 1.428 62.696 61.300 -0.053 0.000 1.365 34 I CB -0.496 37.429 38.000 -0.125 0.000 1.064 34 I HN 0.248 nan 8.210 nan 0.000 0.410 35 S N 1.151 116.992 115.700 0.235 0.000 2.359 35 S HA -0.257 4.213 4.470 -0.000 0.000 0.223 35 S C 2.337 177.112 174.600 0.292 0.000 1.039 35 S CA 1.517 59.955 58.200 0.397 0.000 1.042 35 S CB -0.623 62.892 63.200 0.525 0.000 0.915 35 S HN 0.546 nan 8.310 nan 0.000 0.439 36 A N 1.144 124.135 122.820 0.286 0.000 1.954 36 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 36 A C 1.900 179.598 177.584 0.190 0.000 1.199 36 A CA 2.179 54.386 52.037 0.283 0.000 0.657 36 A CB -1.100 18.122 19.000 0.371 0.000 0.823 36 A HN 0.505 nan 8.150 nan 0.000 0.463 37 F N -0.668 119.150 119.950 -0.221 0.000 2.051 37 F HA -0.142 4.385 4.527 -0.000 0.000 0.296 37 F C 2.031 177.417 175.800 -0.690 0.000 1.122 37 F CA 2.140 59.567 58.000 -0.954 0.000 1.201 37 F CB -0.483 37.624 39.000 -1.488 0.000 0.978 37 F HN 0.222 nan 8.300 nan 0.000 0.472 38 F N 0.434 120.316 119.950 -0.114 0.000 2.171 38 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 38 F C 2.476 178.233 175.800 -0.072 0.000 1.090 38 F CA 1.305 59.243 58.000 -0.103 0.000 1.293 38 F CB -0.695 38.330 39.000 0.042 0.000 1.013 38 F HN -0.183 nan 8.300 nan 0.000 0.486 39 R N 0.126 120.726 120.500 0.168 0.000 2.211 39 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 39 R C 1.933 178.250 176.300 0.028 0.000 1.144 39 R CA 1.670 57.845 56.100 0.126 0.000 0.992 39 R CB -0.336 30.054 30.300 0.150 0.000 0.869 39 R HN 0.466 nan 8.270 nan 0.000 0.462 40 E N 0.042 120.192 120.200 -0.084 0.000 2.372 40 E HA -0.015 4.335 4.350 -0.000 0.000 0.201 40 E C 1.220 177.686 176.600 -0.223 0.000 0.938 40 E CA 0.103 56.432 56.400 -0.119 0.000 0.944 40 E CB 0.501 30.161 29.700 -0.068 0.000 0.937 40 E HN 0.116 nan 8.360 nan 0.000 0.495 41 K N 0.133 120.278 120.400 -0.426 0.000 2.287 41 K HA 0.248 4.568 4.320 -0.000 0.000 0.199 41 K C 0.808 177.292 176.600 -0.193 0.000 1.061 41 K CA 0.596 56.618 56.287 -0.441 0.000 0.976 41 K CB 1.006 32.938 32.500 -0.947 0.000 0.898 41 K HN 0.184 nan 8.250 nan 0.000 0.492 42 G N 1.812 110.586 108.800 -0.044 0.000 2.829 42 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.628 42 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.628 42 G C 0.112 175.141 174.900 0.216 0.000 1.412 42 G CA -0.515 44.667 45.100 0.136 0.000 0.864 42 G HN 0.169 nan 8.290 nan 0.000 0.544 43 L N -0.128 121.229 121.223 0.223 0.000 2.672 43 L HA 0.324 4.664 4.340 -0.000 0.000 0.236 43 L C 1.688 178.611 176.870 0.089 0.000 1.186 43 L CA 0.636 55.600 54.840 0.208 0.000 0.977 43 L CB -0.459 41.683 42.059 0.139 0.000 1.203 43 L HN 1.028 nan 8.230 nan 0.000 0.448 44 V N -5.998 113.942 119.914 0.043 0.000 3.537 44 V HA 0.106 4.226 4.120 -0.000 0.000 0.315 44 V C 1.785 177.858 176.094 -0.034 0.000 1.541 44 V CA 0.351 62.650 62.300 -0.002 0.000 1.160 44 V CB 0.156 31.976 31.823 -0.005 0.000 0.998 44 V HN 0.285 nan 8.190 nan 0.000 0.473 45 S N 2.200 117.868 115.700 -0.053 0.000 2.400 45 S HA -0.437 4.033 4.470 -0.000 0.000 0.234 45 S C 1.921 176.480 174.600 -0.068 0.000 1.049 45 S CA 2.404 60.556 58.200 -0.080 0.000 1.039 45 S CB -0.863 62.249 63.200 -0.148 0.000 0.856 45 S HN 0.962 nan 8.310 nan 0.000 0.465 46 Q N 0.994 120.748 119.800 -0.077 0.000 2.096 46 Q HA -0.261 4.079 4.340 -0.000 0.000 0.208 46 Q C 2.236 178.208 176.000 -0.047 0.000 0.993 46 Q CA 1.708 57.465 55.803 -0.075 0.000 0.862 46 Q CB -0.530 28.159 28.738 -0.082 0.000 0.915 46 Q HN 0.498 nan 8.270 nan 0.000 0.416 47 Q N 0.912 120.682 119.800 -0.049 0.000 1.916 47 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 47 Q C 2.496 178.489 176.000 -0.011 0.000 0.983 47 Q CA 1.588 57.360 55.803 -0.052 0.000 0.846 47 Q CB -0.547 28.133 28.738 -0.097 0.000 0.909 47 Q HN 0.467 nan 8.270 nan 0.000 0.427 48 L N 1.072 122.284 121.223 -0.018 0.000 1.976 48 L HA -0.291 4.049 4.340 -0.000 0.000 0.223 48 L C 2.142 179.060 176.870 0.080 0.000 1.081 48 L CA 1.796 56.660 54.840 0.040 0.000 0.784 48 L CB -1.117 40.946 42.059 0.007 0.000 0.896 48 L HN 0.184 nan 8.230 nan 0.000 0.438 49 D N -0.326 120.089 120.400 0.026 0.000 2.170 49 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 49 D C 2.349 178.675 176.300 0.044 0.000 1.004 49 D CA 1.780 55.790 54.000 0.017 0.000 0.860 49 D CB -0.247 40.545 40.800 -0.013 0.000 0.931 49 D HN 0.251 nan 8.370 nan 0.000 0.448 50 S N -1.141 114.597 115.700 0.063 0.000 2.343 50 S HA -0.174 4.296 4.470 -0.000 0.000 0.219 50 S C 1.824 176.537 174.600 0.189 0.000 1.033 50 S CA 0.736 58.992 58.200 0.094 0.000 1.014 50 S CB -0.584 62.664 63.200 0.079 0.000 0.915 50 S HN 0.207 nan 8.310 nan 0.000 0.435 51 F N 3.674 123.655 119.950 0.052 0.000 2.027 51 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 51 F C 2.235 178.122 175.800 0.145 0.000 1.129 51 F CA 2.186 60.257 58.000 0.119 0.000 1.195 51 F CB -1.177 37.877 39.000 0.091 0.000 0.960 51 F HN 0.294 nan 8.300 nan 0.000 0.485 52 N N 0.259 119.004 118.700 0.075 0.000 2.096 52 N HA -0.291 4.449 4.740 -0.000 0.000 0.195 52 N C 1.833 177.307 175.510 -0.061 0.000 1.017 52 N CA 1.759 54.770 53.050 -0.065 0.000 0.870 52 N CB -0.702 37.788 38.487 0.005 0.000 1.024 52 N HN 0.412 nan 8.380 nan 0.000 0.434 53 Q N 0.572 120.364 119.800 -0.013 0.000 2.124 53 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 53 Q C 1.776 177.788 176.000 0.019 0.000 0.977 53 Q CA 1.096 56.870 55.803 -0.047 0.000 0.850 53 Q CB -0.585 28.126 28.738 -0.046 0.000 0.901 53 Q HN 0.359 nan 8.270 nan 0.000 0.429 54 F N -0.335 119.542 119.950 -0.122 0.000 1.990 54 F HA -0.189 4.338 4.527 -0.000 0.000 0.294 54 F C 2.025 177.674 175.800 -0.253 0.000 1.177 54 F CA 1.673 59.581 58.000 -0.153 0.000 1.167 54 F CB -1.020 37.914 39.000 -0.110 0.000 0.971 54 F HN -0.051 nan 8.300 nan 0.000 0.483 55 V N 1.341 121.013 119.914 -0.405 0.000 2.232 55 V HA -0.472 3.648 4.120 -0.000 0.000 0.254 55 V C 2.299 178.162 176.094 -0.385 0.000 1.058 55 V CA 2.484 64.465 62.300 -0.532 0.000 1.048 55 V CB -0.945 30.565 31.823 -0.522 0.000 0.668 55 V HN 0.430 nan 8.190 nan 0.000 0.462 56 D N -1.668 118.623 120.400 -0.182 0.000 2.127 56 D HA -0.190 4.450 4.640 -0.000 0.000 0.190 56 D C 1.830 178.085 176.300 -0.075 0.000 1.000 56 D CA 2.367 56.342 54.000 -0.042 0.000 0.839 56 D CB -0.257 40.702 40.800 0.264 0.000 0.955 56 D HN 0.651 nan 8.370 nan 0.000 0.446 57 Y N -0.308 119.846 120.300 -0.244 0.000 2.624 57 Y HA 0.133 4.683 4.550 -0.000 0.000 0.260 57 Y C 2.634 178.367 175.900 -0.278 0.000 1.090 57 Y CA 0.461 58.430 58.100 -0.217 0.000 1.347 57 Y CB -0.977 37.401 38.460 -0.136 0.000 1.349 57 Y HN -0.176 nan 8.280 nan 0.000 0.502 58 T N 2.021 116.539 114.554 -0.058 0.000 2.684 58 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 58 T C 1.910 176.335 174.700 -0.459 0.000 1.032 58 T CA 2.097 64.094 62.100 -0.171 0.000 1.155 58 T CB -0.702 68.150 68.868 -0.027 0.000 0.857 58 T HN 0.121 nan 8.240 nan 0.000 0.457 59 L N 0.873 121.619 121.223 -0.796 0.000 2.056 59 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 59 L C 2.542 179.017 176.870 -0.659 0.000 1.078 59 L CA 1.804 56.013 54.840 -1.052 0.000 0.749 59 L CB -0.922 40.428 42.059 -1.181 0.000 0.901 59 L HN 0.132 nan 8.230 nan 0.000 0.433 60 Q N -0.138 119.385 119.800 -0.461 0.000 2.084 60 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 60 Q C 1.688 177.542 176.000 -0.244 0.000 0.978 60 Q CA 2.257 57.858 55.803 -0.338 0.000 0.844 60 Q CB -0.322 28.233 28.738 -0.304 0.000 0.898 60 Q HN 0.585 nan 8.270 nan 0.000 0.426 61 D N -0.409 119.869 120.400 -0.202 0.000 2.219 61 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 61 D C 1.542 177.790 176.300 -0.087 0.000 0.970 61 D CA 1.012 54.944 54.000 -0.113 0.000 0.851 61 D CB -0.040 40.717 40.800 -0.071 0.000 0.943 61 D HN 0.378 nan 8.370 nan 0.000 0.488 62 I N -0.091 120.390 120.570 -0.148 0.000 2.500 62 I HA -0.148 4.022 4.170 -0.000 0.000 0.252 62 I C 1.714 177.825 176.117 -0.010 0.000 1.142 62 I CA 0.333 61.608 61.300 -0.040 0.000 1.451 62 I CB 0.051 38.028 38.000 -0.038 0.000 1.093 62 I HN -0.040 nan 8.210 nan 0.000 0.430 63 I N 0.506 120.952 120.570 -0.206 0.000 2.394 63 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 63 I C 0.912 177.097 176.117 0.113 0.000 1.136 63 I CA 0.761 61.916 61.300 -0.242 0.000 1.425 63 I CB -0.309 37.491 38.000 -0.333 0.000 1.079 63 I HN 0.216 nan 8.210 nan 0.000 0.425 64 C N 2.120 121.449 119.300 0.048 0.000 2.239 64 C HA 0.522 4.982 4.460 -0.000 0.000 0.325 64 C C 0.910 175.944 174.990 0.074 0.000 1.231 64 C CA -0.396 58.669 59.018 0.078 0.000 1.652 64 C CB -1.155 26.602 27.740 0.028 0.000 2.284 64 C HN 0.634 nan 8.230 nan 0.000 0.499 65 E N 1.843 122.097 120.200 0.090 0.000 3.661 65 E HA -0.003 4.347 4.350 -0.000 0.000 0.209 65 E C -0.668 175.955 176.600 0.039 0.000 1.288 65 E CA -0.304 56.127 56.400 0.051 0.000 1.349 65 E CB -0.446 29.287 29.700 0.055 0.000 2.591 65 E HN 0.471 nan 8.360 nan 0.000 0.980 66 D N 2.176 122.589 120.400 0.020 0.000 2.587 66 D HA 0.084 4.724 4.640 -0.000 0.000 0.233 66 D C 1.064 177.362 176.300 -0.003 0.000 1.213 66 D CA 0.570 54.566 54.000 -0.007 0.000 0.827 66 D CB 0.755 41.530 40.800 -0.042 0.000 1.006 66 D HN 0.267 nan 8.370 nan 0.000 0.490 67 S N 0.011 115.753 115.700 0.070 0.000 2.355 67 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 67 S C 1.192 175.954 174.600 0.270 0.000 1.031 67 S CA 0.563 58.865 58.200 0.172 0.000 0.993 67 S CB -1.018 62.383 63.200 0.336 0.000 0.859 67 S HN 0.221 nan 8.310 nan 0.000 0.453 68 T N 3.063 117.726 114.554 0.180 0.000 2.932 68 T HA 0.445 4.795 4.350 -0.000 0.000 0.312 68 T C -0.166 174.580 174.700 0.077 0.000 1.071 68 T CA 0.185 62.356 62.100 0.118 0.000 1.128 68 T CB 0.230 69.145 68.868 0.077 0.000 0.984 68 T HN 0.263 nan 8.240 nan 0.000 0.549 69 L N 2.071 123.341 121.223 0.079 0.000 2.279 69 L HA 0.655 4.995 4.340 -0.000 0.000 0.262 69 L C 0.011 176.960 176.870 0.131 0.000 1.019 69 L CA -1.141 53.758 54.840 0.099 0.000 0.823 69 L CB 1.581 43.763 42.059 0.204 0.000 1.358 69 L HN 0.505 nan 8.230 nan 0.000 0.432 91 S N 4.484 120.051 115.700 -0.222 0.000 2.521 91 S HA 0.809 5.279 4.470 -0.000 0.000 0.295 91 S C -0.856 173.640 174.600 -0.174 0.000 1.098 91 S CA -0.652 57.483 58.200 -0.108 0.000 0.999 91 S CB 1.642 64.846 63.200 0.007 0.000 1.034 91 S HN 0.253 nan 8.310 nan 0.000 0.483 92 F N 1.800 121.806 119.950 0.094 0.000 2.385 92 F HA 0.722 5.249 4.527 -0.000 0.000 0.336 92 F C 1.265 177.107 175.800 0.069 0.000 1.100 92 F CA -0.087 57.976 58.000 0.105 0.000 1.116 92 F CB 1.148 40.251 39.000 0.171 0.000 1.166 92 F HN 0.939 nan 8.300 nan 0.000 0.511 93 G N 1.262 110.199 108.800 0.228 0.000 3.134 93 G HA2 0.260 4.220 3.960 -0.000 0.000 0.158 93 G HA3 0.260 4.220 3.960 -0.000 0.000 0.158 93 G C -0.736 174.203 174.900 0.064 0.000 1.334 93 G CA -0.807 44.367 45.100 0.122 0.000 1.001 93 G HN 0.514 nan 8.290 nan 0.000 0.600 94 K N -0.243 120.159 120.400 0.002 0.000 2.440 94 K HA 0.250 4.570 4.320 -0.000 0.000 0.270 94 K C -0.802 175.664 176.600 -0.223 0.000 0.980 94 K CA 0.041 56.214 56.287 -0.188 0.000 0.953 94 K CB 0.432 32.741 32.500 -0.319 0.000 0.925 94 K HN 0.305 nan 8.250 nan 0.000 0.497 95 I N 3.712 124.039 120.570 -0.406 0.000 2.465 95 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 95 I C -1.458 174.404 176.117 -0.426 0.000 1.014 95 I CA -0.874 60.276 61.300 -0.249 0.000 1.093 95 I CB 0.745 38.624 38.000 -0.201 0.000 1.267 95 I HN 0.570 nan 8.210 nan 0.000 0.431 96 Y N 5.349 125.666 120.300 0.028 0.000 2.567 96 Y HA 0.704 5.254 4.550 -0.000 0.000 0.333 96 Y C -0.370 175.568 175.900 0.063 0.000 1.106 96 Y CA -1.045 57.071 58.100 0.026 0.000 1.157 96 Y CB 1.696 40.180 38.460 0.040 0.000 1.277 96 Y HN 0.148 nan 8.280 nan 0.000 0.490 97 V N 1.432 121.452 119.914 0.176 0.000 2.524 97 V HA 0.347 4.467 4.120 -0.000 0.000 0.297 97 V C -0.258 175.898 176.094 0.103 0.000 1.035 97 V CA -1.050 61.319 62.300 0.114 0.000 0.867 97 V CB 1.227 33.041 31.823 -0.016 0.000 1.004 97 V HN 0.958 nan 8.190 nan 0.000 0.426 98 T N 2.221 116.871 114.554 0.160 0.000 2.771 98 T HA 0.454 4.804 4.350 -0.000 0.000 0.290 98 T C 0.033 174.721 174.700 -0.020 0.000 1.005 98 T CA -0.758 61.392 62.100 0.084 0.000 0.944 98 T CB 0.950 69.915 68.868 0.161 0.000 1.147 98 T HN 0.502 nan 8.240 nan 0.000 0.534 99 K N 0.796 121.141 120.400 -0.093 0.000 2.090 99 K HA 0.334 4.654 4.320 -0.000 0.000 0.249 99 K C -2.696 173.824 176.600 -0.134 0.000 0.995 99 K CA -2.119 53.989 56.287 -0.298 0.000 0.914 99 K CB 0.248 32.381 32.500 -0.612 0.000 1.057 99 K HN 0.304 nan 8.250 nan 0.000 0.462 100 P HA -0.103 nan 4.420 nan 0.000 0.257 100 P C -0.594 176.728 177.300 0.037 0.000 1.162 100 P CA 1.146 64.159 63.100 -0.146 0.000 0.762 100 P CB 0.313 31.723 31.700 -0.483 0.000 0.753 101 M N 2.054 121.678 119.600 0.039 0.000 2.849 101 M HA 0.563 5.043 4.480 -0.000 0.000 0.299 101 M C -0.494 175.848 176.300 0.071 0.000 1.223 101 M CA -1.048 54.294 55.300 0.069 0.000 0.856 101 M CB 1.678 34.339 32.600 0.103 0.000 1.680 101 M HN -0.140 nan 8.290 nan 0.000 0.506 102 V N 1.526 121.494 119.914 0.089 0.000 2.568 102 V HA 0.201 4.321 4.120 -0.000 0.000 0.276 102 V C -1.073 175.073 176.094 0.086 0.000 1.002 102 V CA -0.801 61.559 62.300 0.100 0.000 0.879 102 V CB 1.113 33.023 31.823 0.144 0.000 1.040 102 V HN 0.853 nan 8.190 nan 0.000 0.457 103 N N 4.119 122.850 118.700 0.052 0.000 2.406 103 N HA 0.362 5.102 4.740 -0.000 0.000 0.251 103 N C -0.222 175.304 175.510 0.028 0.000 1.069 103 N CA -0.199 52.865 53.050 0.023 0.000 0.947 103 N CB 0.716 39.193 38.487 -0.017 0.000 1.111 103 N HN 0.853 nan 8.380 nan 0.000 0.497 104 E N 1.124 121.342 120.200 0.029 0.000 2.293 104 E HA 0.394 4.744 4.350 -0.000 0.000 0.270 104 E C -0.932 175.679 176.600 0.017 0.000 0.879 104 E CA -1.130 55.285 56.400 0.025 0.000 0.756 104 E CB 0.975 30.693 29.700 0.030 0.000 1.208 104 E HN 0.480 nan 8.360 nan 0.000 0.428 105 S N 2.256 117.967 115.700 0.018 0.000 2.560 105 S HA 0.070 4.540 4.470 -0.000 0.000 0.284 105 S C 0.007 174.616 174.600 0.015 0.000 1.327 105 S CA -0.308 57.903 58.200 0.018 0.000 1.055 105 S CB 0.070 63.285 63.200 0.025 0.000 0.868 105 S HN 0.698 nan 8.310 nan 0.000 0.506 106 D N 0.805 121.212 120.400 0.012 0.000 2.872 106 D HA -0.031 4.609 4.640 -0.000 0.000 0.248 106 D C 0.262 176.564 176.300 0.003 0.000 1.104 106 D CA 1.770 55.775 54.000 0.008 0.000 0.784 106 D CB -1.530 39.276 40.800 0.011 0.000 1.036 106 D HN 1.303 nan 8.370 nan 0.000 0.426 107 G N -2.376 106.425 108.800 0.002 0.000 2.337 107 G HA2 0.343 4.303 3.960 -0.000 0.000 0.298 107 G HA3 0.343 4.303 3.960 -0.000 0.000 0.298 107 G C -0.164 174.739 174.900 0.005 0.000 1.335 107 G CA -0.327 44.772 45.100 -0.002 0.000 0.875 107 G HN 0.274 nan 8.290 nan 0.000 0.579 108 V N -0.560 119.357 119.914 0.005 0.000 3.766 108 V HA 0.529 4.649 4.120 -0.000 0.000 0.286 108 V C 1.203 177.323 176.094 0.044 0.000 1.055 108 V CA 0.124 62.437 62.300 0.022 0.000 1.060 108 V CB 1.207 33.046 31.823 0.027 0.000 1.210 108 V HN 0.837 nan 8.190 nan 0.000 0.457 109 T N 0.089 114.681 114.554 0.064 0.000 2.795 109 T HA 0.428 4.778 4.350 -0.000 0.000 0.282 109 T C -0.776 174.020 174.700 0.160 0.000 0.980 109 T CA 0.022 62.174 62.100 0.087 0.000 1.012 109 T CB 0.246 69.149 68.868 0.058 0.000 0.936 109 T HN 0.752 nan 8.240 nan 0.000 0.457 110 H N 1.627 120.723 119.070 0.043 0.000 2.573 110 H HA 0.680 5.236 4.556 -0.000 0.000 0.351 110 H C -0.341 175.028 175.328 0.069 0.000 1.163 110 H CA -0.837 55.244 56.048 0.054 0.000 1.205 110 H CB 1.203 30.996 29.762 0.052 0.000 1.605 110 H HN 0.700 nan 8.280 nan 0.000 0.525 111 A N 4.283 126.826 122.820 -0.463 0.000 2.395 111 A HA 0.333 4.653 4.320 -0.000 0.000 0.286 111 A C -0.721 176.593 177.584 -0.450 0.000 1.193 111 A CA -0.345 51.476 52.037 -0.360 0.000 0.852 111 A CB -0.756 18.080 19.000 -0.274 0.000 1.118 111 A HN 0.539 nan 8.150 nan 0.000 0.524 112 L N 3.856 124.948 121.223 -0.219 0.000 2.292 112 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 112 L C -0.961 175.870 176.870 -0.065 0.000 1.065 112 L CA -0.022 54.794 54.840 -0.040 0.000 0.806 112 L CB 0.359 42.475 42.059 0.096 0.000 1.175 112 L HN 0.614 nan 8.230 nan 0.000 0.431 113 Y N 5.565 125.886 120.300 0.036 0.000 2.528 113 Y HA 0.463 5.013 4.550 -0.000 0.000 0.335 113 Y C -1.478 174.472 175.900 0.083 0.000 1.093 113 Y CA -1.788 56.363 58.100 0.085 0.000 1.134 113 Y CB 0.788 39.202 38.460 -0.076 0.000 1.253 113 Y HN 0.530 nan 8.280 nan 0.000 0.478 114 P HA -0.239 nan 4.420 nan 0.000 0.215 114 P C 1.082 178.359 177.300 -0.038 0.000 1.153 114 P CA 1.644 64.587 63.100 -0.262 0.000 0.853 114 P CB 0.568 32.053 31.700 -0.358 0.000 0.788 115 Q N 0.808 120.629 119.800 0.034 0.000 1.967 115 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 115 Q C 2.419 178.450 176.000 0.051 0.000 0.985 115 Q CA 2.007 57.830 55.803 0.032 0.000 0.839 115 Q CB -1.201 27.547 28.738 0.016 0.000 0.906 115 Q HN 0.269 nan 8.270 nan 0.000 0.423 116 E N -0.849 119.397 120.200 0.078 0.000 2.086 116 E HA -0.291 4.059 4.350 -0.000 0.000 0.200 116 E C 1.753 178.404 176.600 0.085 0.000 1.012 116 E CA 1.389 57.840 56.400 0.087 0.000 0.812 116 E CB -0.323 29.451 29.700 0.124 0.000 0.743 116 E HN 0.420 nan 8.360 nan 0.000 0.453 117 A N 1.108 123.993 122.820 0.109 0.000 1.884 117 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 117 A C 2.186 179.809 177.584 0.065 0.000 1.197 117 A CA 2.014 54.115 52.037 0.106 0.000 0.637 117 A CB -0.654 18.438 19.000 0.154 0.000 0.827 117 A HN 0.233 nan 8.150 nan 0.000 0.450 118 R N -0.915 119.617 120.500 0.054 0.000 2.081 118 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 118 R C 2.155 178.495 176.300 0.066 0.000 1.131 118 R CA 1.380 57.514 56.100 0.056 0.000 0.960 118 R CB -0.437 29.893 30.300 0.050 0.000 0.856 118 R HN 0.536 nan 8.270 nan 0.000 0.436 119 L N 0.060 121.322 121.223 0.065 0.000 2.072 119 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 119 L C 1.897 178.835 176.870 0.114 0.000 1.079 119 L CA 1.355 56.249 54.840 0.091 0.000 0.752 119 L CB -0.144 41.958 42.059 0.072 0.000 0.906 119 L HN 0.123 nan 8.230 nan 0.000 0.436 120 R N 0.151 120.669 120.500 0.030 0.000 2.334 120 R HA 0.117 4.457 4.340 -0.000 0.000 0.220 120 R C -0.087 176.028 176.300 -0.309 0.000 0.917 120 R CA -0.038 55.992 56.100 -0.116 0.000 1.073 120 R CB -0.192 30.067 30.300 -0.067 0.000 1.056 120 R HN 0.385 nan 8.270 nan 0.000 0.506 121 N N 1.154 119.770 118.700 -0.139 0.000 2.740 121 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 121 N C -0.629 174.822 175.510 -0.098 0.000 1.062 121 N CA 0.246 53.223 53.050 -0.123 0.000 0.704 121 N CB -1.100 37.242 38.487 -0.243 0.000 0.968 121 N HN 0.242 nan 8.380 nan 0.000 0.547 122 L N 0.015 121.220 121.223 -0.030 0.000 2.431 122 L HA 0.414 4.754 4.340 -0.000 0.000 0.260 122 L C 0.951 177.866 176.870 0.075 0.000 1.098 122 L CA -0.407 54.444 54.840 0.017 0.000 0.800 122 L CB 1.060 43.151 42.059 0.052 0.000 1.210 122 L HN -0.068 nan 8.230 nan 0.000 0.465 123 T N 0.022 114.633 114.554 0.095 0.000 2.853 123 T HA 0.149 4.499 4.350 -0.000 0.000 0.317 123 T C -0.355 174.463 174.700 0.196 0.000 1.059 123 T CA -0.226 61.952 62.100 0.130 0.000 0.954 123 T CB -0.301 68.620 68.868 0.087 0.000 0.994 123 T HN 0.242 nan 8.240 nan 0.000 0.479 124 Y N 4.984 125.335 120.300 0.084 0.000 2.735 124 Y HA 0.141 4.691 4.550 -0.000 0.000 0.367 124 Y C 0.772 176.740 175.900 0.113 0.000 1.333 124 Y CA -0.158 58.000 58.100 0.097 0.000 1.861 124 Y CB -0.847 37.670 38.460 0.094 0.000 1.457 124 Y HN 0.603 nan 8.280 nan 0.000 0.457 125 S N 1.953 117.667 115.700 0.024 0.000 2.671 125 S HA 0.914 5.384 4.470 -0.000 0.000 0.299 125 S C -0.451 174.120 174.600 -0.047 0.000 1.116 125 S CA -0.514 57.692 58.200 0.009 0.000 0.912 125 S CB 1.789 65.028 63.200 0.064 0.000 1.130 125 S HN 0.519 nan 8.310 nan 0.000 0.501 126 S N -0.246 115.455 115.700 0.001 0.000 2.671 126 S HA 0.827 5.297 4.470 -0.000 0.000 0.299 126 S C 0.249 174.909 174.600 0.100 0.000 1.116 126 S CA -0.703 57.510 58.200 0.020 0.000 0.912 126 S CB 0.706 63.885 63.200 -0.036 0.000 1.130 126 S HN 1.399 nan 8.310 nan 0.000 0.501 127 G N 0.213 109.125 108.800 0.186 0.000 2.299 127 G HA2 0.430 4.390 3.960 -0.000 0.000 0.256 127 G HA3 0.430 4.390 3.960 -0.000 0.000 0.256 127 G C -0.862 174.136 174.900 0.164 0.000 1.259 127 G CA -0.211 45.063 45.100 0.290 0.000 0.943 127 G HN 0.542 nan 8.290 nan 0.000 0.479 128 L N 4.060 125.181 121.223 -0.171 0.000 2.371 128 L HA 0.508 4.848 4.340 -0.000 0.000 0.262 128 L C -0.924 175.739 176.870 -0.346 0.000 1.054 128 L CA -1.025 53.704 54.840 -0.184 0.000 0.924 128 L CB -0.087 41.849 42.059 -0.205 0.000 1.295 128 L HN 0.350 nan 8.230 nan 0.000 0.441 129 F N 2.683 122.683 119.950 0.083 0.000 2.404 129 F HA 0.593 5.120 4.527 -0.000 0.000 0.339 129 F C 0.522 176.441 175.800 0.197 0.000 1.105 129 F CA -0.573 57.514 58.000 0.145 0.000 1.087 129 F CB 1.262 40.365 39.000 0.172 0.000 1.143 129 F HN 0.006 nan 8.300 nan 0.000 0.491 130 V N 1.241 121.351 119.914 0.328 0.000 3.093 130 V HA 0.335 4.455 4.120 -0.000 0.000 0.320 130 V C -0.633 175.666 176.094 0.342 0.000 1.093 130 V CA -0.874 61.606 62.300 0.300 0.000 1.016 130 V CB 2.041 34.044 31.823 0.300 0.000 1.096 130 V HN 0.636 nan 8.190 nan 0.000 0.452 131 D N 1.272 121.854 120.400 0.303 0.000 2.432 131 D HA 0.360 5.000 4.640 -0.000 0.000 0.265 131 D C -0.960 175.441 176.300 0.168 0.000 1.160 131 D CA -0.009 54.137 54.000 0.244 0.000 0.911 131 D CB 1.561 42.514 40.800 0.254 0.000 1.052 131 D HN 0.238 nan 8.370 nan 0.000 0.508 132 V N 3.184 123.164 119.914 0.110 0.000 2.607 132 V HA 0.300 4.420 4.120 -0.000 0.000 0.289 132 V C 0.447 176.515 176.094 -0.044 0.000 1.053 132 V CA -0.372 61.903 62.300 -0.041 0.000 0.996 132 V CB 1.584 33.335 31.823 -0.121 0.000 0.995 132 V HN 0.251 nan 8.190 nan 0.000 0.476 133 K N 4.493 124.838 120.400 -0.092 0.000 2.221 133 K HA 0.623 4.943 4.320 -0.000 0.000 0.258 133 K C -0.507 176.050 176.600 -0.072 0.000 0.944 133 K CA -0.844 55.412 56.287 -0.052 0.000 0.823 133 K CB 1.992 34.475 32.500 -0.028 0.000 1.113 133 K HN 0.775 nan 8.250 nan 0.000 0.431 165 V N 3.377 123.468 119.914 0.295 0.000 2.427 165 V HA 0.391 4.511 4.120 -0.000 0.000 0.286 165 V C -0.246 176.033 176.094 0.308 0.000 1.034 165 V CA -0.648 61.826 62.300 0.290 0.000 0.893 165 V CB 0.998 32.944 31.823 0.206 0.000 0.982 165 V HN 0.278 nan 8.190 nan 0.000 0.452 166 F N 5.811 125.797 119.950 0.060 0.000 2.399 166 F HA 0.626 5.153 4.527 -0.000 0.000 0.342 166 F C -0.029 175.679 175.800 -0.154 0.000 1.106 166 F CA -0.521 57.323 58.000 -0.260 0.000 1.196 166 F CB 0.497 39.350 39.000 -0.246 0.000 1.163 166 F HN 0.319 nan 8.300 nan 0.000 0.547 167 I N 5.985 125.842 120.570 -1.190 0.000 2.563 167 I HA 0.300 4.470 4.170 -0.000 0.000 0.281 167 I C 0.320 175.811 176.117 -1.043 0.000 1.110 167 I CA -0.477 60.339 61.300 -0.807 0.000 1.073 167 I CB 0.982 38.780 38.000 -0.338 0.000 1.215 167 I HN 0.952 nan 8.210 nan 0.000 0.460 168 G N 6.277 114.504 108.800 -0.955 0.000 2.649 168 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.413 168 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.413 168 G C -0.278 174.371 174.900 -0.418 0.000 1.335 168 G CA -0.219 44.576 45.100 -0.509 0.000 0.917 168 G HN 0.672 nan 8.290 nan 0.000 0.552 169 R N -1.350 119.092 120.500 -0.096 0.000 2.621 169 R HA 0.540 4.880 4.340 -0.000 0.000 0.292 169 R C -0.859 175.463 176.300 0.037 0.000 0.969 169 R CA -1.000 55.104 56.100 0.008 0.000 0.887 169 R CB 1.925 32.282 30.300 0.095 0.000 1.180 169 R HN 0.521 nan 8.270 nan 0.000 0.450 170 L N 4.810 126.079 121.223 0.077 0.000 2.264 170 L HA 0.425 4.765 4.340 -0.000 0.000 0.287 170 L C -2.359 174.604 176.870 0.155 0.000 1.039 170 L CA -2.103 52.824 54.840 0.145 0.000 0.829 170 L CB 0.917 43.096 42.059 0.200 0.000 1.211 170 L HN 0.429 nan 8.230 nan 0.000 0.427 171 P HA 0.005 nan 4.420 nan 0.000 0.261 171 P C -0.338 177.131 177.300 0.282 0.000 1.183 171 P CA 0.504 63.668 63.100 0.108 0.000 0.761 171 P CB 0.416 32.077 31.700 -0.065 0.000 0.785 172 I N 4.276 125.052 120.570 0.343 0.000 2.395 172 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 172 I C 1.338 177.606 176.117 0.252 0.000 1.023 172 I CA -0.790 60.758 61.300 0.413 0.000 1.350 172 I CB 0.961 39.093 38.000 0.219 0.000 1.409 172 I HN 0.279 nan 8.210 nan 0.000 0.507 173 M N 6.877 126.248 119.600 -0.381 0.000 2.227 173 M HA 0.102 4.582 4.480 -0.000 0.000 0.349 173 M C -0.399 175.693 176.300 -0.348 0.000 1.443 173 M CA -0.646 54.121 55.300 -0.888 0.000 1.110 173 M CB 0.459 32.242 32.600 -1.362 0.000 1.773 173 M HN 0.385 nan 8.290 nan 0.000 0.463 174 L N 6.267 127.217 121.223 -0.455 0.000 2.717 174 L HA -0.036 4.304 4.340 -0.000 0.000 0.281 174 L C 0.537 177.254 176.870 -0.256 0.000 1.329 174 L CA 1.313 55.930 54.840 -0.372 0.000 1.202 174 L CB -1.315 40.282 42.059 -0.771 0.000 1.425 174 L HN 0.970 nan 8.230 nan 0.000 0.438 175 R N -0.880 119.569 120.500 -0.085 0.000 1.754 175 R HA -0.081 4.259 4.340 -0.000 0.000 0.418 175 R C 0.180 176.486 176.300 0.010 0.000 0.302 175 R CA 0.742 56.818 56.100 -0.040 0.000 1.361 175 R CB -1.244 29.013 30.300 -0.073 0.000 1.923 175 R HN 0.586 nan 8.270 nan 0.000 0.271 176 S N -0.280 115.460 115.700 0.066 0.000 2.634 176 S HA 0.272 4.742 4.470 -0.000 0.000 0.261 176 S C 1.082 175.733 174.600 0.085 0.000 1.271 176 S CA -0.588 57.702 58.200 0.151 0.000 0.985 176 S CB 1.196 64.656 63.200 0.433 0.000 0.968 176 S HN 0.248 nan 8.310 nan 0.000 0.568 177 K N 0.652 121.085 120.400 0.055 0.000 2.228 177 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 177 K C 1.492 178.073 176.600 -0.031 0.000 1.045 177 K CA 1.913 58.202 56.287 0.003 0.000 0.931 177 K CB -0.448 32.042 32.500 -0.017 0.000 0.727 177 K HN 0.515 nan 8.250 nan 0.000 0.458 178 N N 0.421 119.109 118.700 -0.019 0.000 2.197 178 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 178 N C 0.501 175.890 175.510 -0.201 0.000 1.030 178 N CA 0.418 53.404 53.050 -0.106 0.000 0.851 178 N CB -0.309 38.143 38.487 -0.058 0.000 1.003 178 N HN 0.141 nan 8.380 nan 0.000 0.430 179 C N 1.770 121.044 119.300 -0.045 0.000 2.334 179 C HA -0.132 4.328 4.460 -0.000 0.000 0.395 179 C C 1.393 176.373 174.990 -0.016 0.000 1.507 179 C CA -0.412 58.638 59.018 0.053 0.000 1.494 179 C CB -1.365 26.490 27.740 0.192 0.000 2.509 179 C HN 0.485 nan 8.230 nan 0.000 0.599 180 Y N 3.727 124.043 120.300 0.026 0.000 2.384 180 Y HA -0.091 4.459 4.550 -0.000 0.000 0.289 180 Y C 2.009 177.931 175.900 0.037 0.000 1.152 180 Y CA 1.266 59.357 58.100 -0.015 0.000 1.258 180 Y CB -0.629 37.749 38.460 -0.137 0.000 0.979 180 Y HN 0.656 nan 8.280 nan 0.000 0.549 181 L N -0.394 120.953 121.223 0.207 0.000 2.141 181 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 181 L C 2.584 179.495 176.870 0.067 0.000 1.094 181 L CA 1.302 56.214 54.840 0.120 0.000 0.763 181 L CB -0.852 41.249 42.059 0.071 0.000 0.908 181 L HN 0.331 nan 8.230 nan 0.000 0.437 182 S N 0.256 115.987 115.700 0.052 0.000 2.400 182 S HA -0.288 4.182 4.470 -0.000 0.000 0.234 182 S C 1.623 176.239 174.600 0.027 0.000 1.049 182 S CA 1.977 60.193 58.200 0.027 0.000 1.039 182 S CB -0.389 62.821 63.200 0.016 0.000 0.856 182 S HN 0.596 nan 8.310 nan 0.000 0.465 183 E N 1.495 121.720 120.200 0.041 0.000 2.340 183 E HA 0.488 4.838 4.350 -0.000 0.000 0.198 183 E C 0.921 177.550 176.600 0.049 0.000 0.961 183 E CA 0.229 56.653 56.400 0.040 0.000 0.905 183 E CB -0.069 29.655 29.700 0.042 0.000 0.884 183 E HN 0.642 nan 8.360 nan 0.000 0.491 184 A N 2.171 125.033 122.820 0.069 0.000 2.609 184 A HA 0.041 4.361 4.320 -0.000 0.000 0.232 184 A C 0.803 178.408 177.584 0.035 0.000 1.041 184 A CA 0.801 52.879 52.037 0.069 0.000 0.753 184 A CB -0.215 18.836 19.000 0.085 0.000 0.966 184 A HN 0.241 nan 8.150 nan 0.000 0.510 185 T N -0.421 114.154 114.554 0.034 0.000 2.852 185 T HA 0.360 4.710 4.350 -0.000 0.000 0.281 185 T C 1.010 175.716 174.700 0.010 0.000 0.993 185 T CA 0.460 62.572 62.100 0.020 0.000 0.933 185 T CB 0.842 69.726 68.868 0.027 0.000 1.187 185 T HN 0.709 nan 8.240 nan 0.000 0.559 186 E N 0.140 120.346 120.200 0.011 0.000 2.007 186 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 186 E C 2.393 179.069 176.600 0.127 0.000 0.999 186 E CA 1.749 58.160 56.400 0.020 0.000 0.811 186 E CB -0.369 29.360 29.700 0.049 0.000 0.762 186 E HN 0.814 nan 8.360 nan 0.000 0.450 187 S N 0.799 116.586 115.700 0.144 0.000 2.407 187 S HA -0.248 4.222 4.470 -0.000 0.000 0.235 187 S C 1.571 176.251 174.600 0.132 0.000 1.036 187 S CA 1.725 60.019 58.200 0.157 0.000 1.013 187 S CB -0.416 62.825 63.200 0.068 0.000 0.820 187 S HN 0.257 nan 8.310 nan 0.000 0.476 188 D N 1.549 121.997 120.400 0.081 0.000 2.123 188 D HA 0.070 4.710 4.640 -0.000 0.000 0.200 188 D C 2.050 178.377 176.300 0.046 0.000 0.976 188 D CA 0.941 54.977 54.000 0.059 0.000 0.831 188 D CB -0.283 40.551 40.800 0.057 0.000 0.974 188 D HN 0.394 nan 8.370 nan 0.000 0.469 189 L N -0.097 121.130 121.223 0.006 0.000 1.976 189 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 189 L C 2.524 179.350 176.870 -0.072 0.000 1.071 189 L CA 1.242 56.040 54.840 -0.070 0.000 0.746 189 L CB -0.813 41.129 42.059 -0.196 0.000 0.890 189 L HN 0.078 nan 8.230 nan 0.000 0.432 190 Y N 0.657 120.942 120.300 -0.025 0.000 2.030 190 Y HA -0.366 4.184 4.550 -0.000 0.000 0.272 190 Y C 2.722 178.594 175.900 -0.046 0.000 1.185 190 Y CA 1.736 59.814 58.100 -0.036 0.000 1.120 190 Y CB -0.435 38.001 38.460 -0.039 0.000 0.955 190 Y HN 0.073 nan 8.280 nan 0.000 0.495 191 K N 0.032 120.507 120.400 0.125 0.000 2.228 191 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 191 K C 1.590 178.168 176.600 -0.037 0.000 1.045 191 K CA 1.467 57.770 56.287 0.026 0.000 0.931 191 K CB -0.414 32.090 32.500 0.007 0.000 0.727 191 K HN 0.388 nan 8.250 nan 0.000 0.458 192 L N 0.519 121.721 121.223 -0.036 0.000 2.591 192 L HA 0.049 4.389 4.340 -0.000 0.000 0.228 192 L C 0.145 176.984 176.870 -0.052 0.000 1.133 192 L CA 0.152 54.943 54.840 -0.082 0.000 0.880 192 L CB -0.137 41.920 42.059 -0.004 0.000 1.033 192 L HN 0.142 nan 8.230 nan 0.000 0.450 193 K N 0.155 120.537 120.400 -0.030 0.000 3.192 193 K HA -0.151 4.169 4.320 -0.000 0.000 0.278 193 K C -0.163 176.414 176.600 -0.038 0.000 1.164 193 K CA 0.492 56.762 56.287 -0.028 0.000 0.816 193 K CB -1.188 31.290 32.500 -0.037 0.000 1.256 193 K HN 0.196 nan 8.250 nan 0.000 0.497 194 E N 1.025 121.192 120.200 -0.055 0.000 2.155 194 E HA 0.132 4.482 4.350 -0.000 0.000 0.264 194 E C -0.477 176.043 176.600 -0.133 0.000 0.886 194 E CA -0.556 55.808 56.400 -0.059 0.000 0.752 194 E CB 1.539 31.223 29.700 -0.027 0.000 1.133 194 E HN 0.303 nan 8.360 nan 0.000 0.414 195 C N 6.683 125.917 119.300 -0.109 0.000 2.538 195 C HA 0.078 4.538 4.460 -0.000 0.000 0.408 195 C C -0.775 174.112 174.990 -0.172 0.000 1.421 195 C CA -1.045 57.886 59.018 -0.145 0.000 1.642 195 C CB 0.047 27.764 27.740 -0.038 0.000 2.553 195 C HN 0.567 nan 8.230 nan 0.000 0.604 196 P HA -0.021 nan 4.420 nan 0.000 0.242 196 P C 0.852 177.956 177.300 -0.326 0.000 1.197 196 P CA 1.324 64.206 63.100 -0.364 0.000 0.765 196 P CB -0.063 31.315 31.700 -0.538 0.000 0.936 197 F N 0.118 119.978 119.950 -0.151 0.000 2.656 197 F HA 0.147 4.674 4.527 -0.000 0.000 0.291 197 F C 1.154 176.997 175.800 0.071 0.000 1.122 197 F CA -0.206 57.724 58.000 -0.117 0.000 1.427 197 F CB -0.452 38.354 39.000 -0.323 0.000 1.125 197 F HN -0.145 nan 8.300 nan 0.000 0.583 198 D N 1.003 121.536 120.400 0.222 0.000 2.525 198 D HA -0.066 4.574 4.640 -0.000 0.000 0.235 198 D C 1.313 177.735 176.300 0.203 0.000 1.137 198 D CA 0.328 54.471 54.000 0.237 0.000 0.868 198 D CB 0.643 41.535 40.800 0.154 0.000 1.180 198 D HN 0.046 nan 8.370 nan 0.000 0.465 199 M N 2.022 121.756 119.600 0.223 0.000 2.461 199 M HA 0.264 4.744 4.480 -0.000 0.000 0.255 199 M C 0.802 177.164 176.300 0.104 0.000 1.137 199 M CA 0.364 55.753 55.300 0.147 0.000 1.086 199 M CB -1.155 31.522 32.600 0.127 0.000 1.356 199 M HN 0.333 nan 8.290 nan 0.000 0.487 200 G N 1.485 110.411 108.800 0.209 0.000 2.704 200 G HA2 0.002 3.962 3.960 -0.000 0.000 0.338 200 G HA3 0.002 3.962 3.960 -0.000 0.000 0.338 200 G C 0.499 175.332 174.900 -0.111 0.000 0.073 200 G CA 0.383 45.552 45.100 0.115 0.000 1.219 200 G HN 1.046 nan 8.290 nan 0.000 0.578 201 G N 2.186 110.953 108.800 -0.055 0.000 4.765 201 G HA2 0.570 4.530 3.960 -0.000 0.000 0.276 201 G HA3 0.570 4.530 3.960 -0.000 0.000 0.276 201 G C 0.084 174.784 174.900 -0.334 0.000 0.986 201 G CA 0.361 45.337 45.100 -0.207 0.000 0.755 201 G HN 1.253 nan 8.290 nan 0.000 0.391 202 Y N -1.410 118.634 120.300 -0.427 0.000 2.675 202 Y HA 0.865 5.415 4.550 -0.000 0.000 0.328 202 Y C -0.549 174.961 175.900 -0.651 0.000 1.092 202 Y CA -2.217 55.589 58.100 -0.490 0.000 1.190 202 Y CB 1.054 39.376 38.460 -0.230 0.000 1.350 202 Y HN -0.132 nan 8.280 nan 0.000 0.525 203 F N 0.034 119.985 119.950 0.002 0.000 2.572 203 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 203 F C -0.273 175.573 175.800 0.076 0.000 1.064 203 F CA -1.133 56.839 58.000 -0.046 0.000 1.008 203 F CB 1.601 40.584 39.000 -0.028 0.000 1.303 203 F HN 0.256 nan 8.300 nan 0.000 0.492 204 I N 2.995 123.734 120.570 0.283 0.000 2.595 204 I HA 0.269 4.439 4.170 -0.000 0.000 0.275 204 I C -1.342 174.890 176.117 0.191 0.000 1.092 204 I CA -0.274 61.147 61.300 0.201 0.000 1.145 204 I CB 0.705 38.766 38.000 0.101 0.000 1.276 204 I HN 0.269 nan 8.210 nan 0.000 0.497 205 I N 5.866 126.531 120.570 0.158 0.000 2.321 205 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 205 I C 0.715 176.879 176.117 0.078 0.000 0.998 205 I CA -0.024 61.339 61.300 0.105 0.000 1.227 205 I CB 0.579 38.623 38.000 0.073 0.000 1.368 205 I HN 0.418 nan 8.210 nan 0.000 0.466 206 N N 5.176 123.912 118.700 0.061 0.000 2.714 206 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 206 N C 1.115 176.651 175.510 0.043 0.000 1.117 206 N CA 1.238 54.309 53.050 0.036 0.000 0.719 206 N CB -1.199 37.311 38.487 0.039 0.000 1.081 206 N HN 1.141 nan 8.380 nan 0.000 0.557 207 G N -1.447 107.388 108.800 0.059 0.000 2.234 207 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 207 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 207 G C 0.053 174.999 174.900 0.076 0.000 0.987 207 G CA 0.913 46.052 45.100 0.066 0.000 0.625 207 G HN 1.434 nan 8.290 nan 0.000 0.532 208 S N 0.393 116.139 115.700 0.078 0.000 2.438 208 S HA 0.594 5.064 4.470 -0.000 0.000 0.293 208 S C -0.049 174.608 174.600 0.096 0.000 1.141 208 S CA -0.312 57.928 58.200 0.068 0.000 1.080 208 S CB 1.479 64.712 63.200 0.056 0.000 0.978 208 S HN 0.377 nan 8.310 nan 0.000 0.479 209 E N 3.614 123.862 120.200 0.080 0.000 2.238 209 E HA 0.111 4.461 4.350 -0.000 0.000 0.264 209 E C -0.138 176.519 176.600 0.096 0.000 1.136 209 E CA -0.053 56.427 56.400 0.132 0.000 0.929 209 E CB 0.390 30.052 29.700 -0.064 0.000 1.010 209 E HN 0.471 nan 8.360 nan 0.000 0.440 210 K N 2.299 122.813 120.400 0.190 0.000 2.182 210 K HA 0.438 4.758 4.320 -0.000 0.000 0.262 210 K C -0.444 176.261 176.600 0.176 0.000 0.957 210 K CA -0.846 55.533 56.287 0.154 0.000 0.842 210 K CB 2.047 34.651 32.500 0.174 0.000 1.099 210 K HN 0.149 nan 8.250 nan 0.000 0.438 211 V N 3.316 123.250 119.914 0.034 0.000 2.581 211 V HA 0.363 4.483 4.120 -0.000 0.000 0.303 211 V C 0.102 176.168 176.094 -0.047 0.000 1.041 211 V CA -0.994 61.266 62.300 -0.066 0.000 0.907 211 V CB 1.734 33.342 31.823 -0.357 0.000 0.994 211 V HN 0.552 nan 8.190 nan 0.000 0.442 212 L N 5.268 126.481 121.223 -0.017 0.000 2.259 212 L HA 0.394 4.734 4.340 -0.000 0.000 0.288 212 L C -0.297 176.500 176.870 -0.122 0.000 1.051 212 L CA -0.527 54.291 54.840 -0.036 0.000 0.824 212 L CB 0.826 42.925 42.059 0.066 0.000 1.206 212 L HN 0.442 nan 8.230 nan 0.000 0.429 213 I N 3.651 124.132 120.570 -0.147 0.000 2.578 213 I HA 0.025 4.195 4.170 -0.000 0.000 0.286 213 I C 1.137 177.175 176.117 -0.132 0.000 1.126 213 I CA 0.093 61.317 61.300 -0.126 0.000 1.380 213 I CB 0.530 38.480 38.000 -0.085 0.000 1.408 213 I HN 0.579 nan 8.210 nan 0.000 0.532 214 A N 8.516 131.275 122.820 -0.102 0.000 2.584 214 A HA 0.010 4.330 4.320 -0.000 0.000 0.239 214 A C 0.451 177.977 177.584 -0.097 0.000 1.043 214 A CA 0.006 51.986 52.037 -0.096 0.000 0.756 214 A CB -0.049 18.910 19.000 -0.068 0.000 0.963 214 A HN 0.667 nan 8.150 nan 0.000 0.511 215 Q N 1.652 121.384 119.800 -0.113 0.000 2.347 215 Q HA 0.257 4.597 4.340 -0.000 0.000 0.262 215 Q C -0.379 175.577 176.000 -0.073 0.000 0.980 215 Q CA -0.149 55.592 55.803 -0.103 0.000 0.867 215 Q CB 1.712 30.364 28.738 -0.144 0.000 1.242 215 Q HN 0.866 nan 8.270 nan 0.000 0.453 216 E N 3.284 123.455 120.200 -0.048 0.000 2.200 216 E HA 0.343 4.693 4.350 -0.000 0.000 0.283 216 E C -0.741 175.841 176.600 -0.030 0.000 1.015 216 E CA -0.423 55.956 56.400 -0.035 0.000 0.819 216 E CB 0.728 30.431 29.700 0.006 0.000 1.081 216 E HN 0.477 nan 8.360 nan 0.000 0.397 217 R N 1.793 122.269 120.500 -0.041 0.000 2.584 217 R HA 0.322 4.662 4.340 -0.000 0.000 0.276 217 R C -0.732 175.545 176.300 -0.038 0.000 1.046 217 R CA -0.860 55.223 56.100 -0.029 0.000 0.906 217 R CB 1.404 31.687 30.300 -0.028 0.000 1.215 217 R HN 0.358 nan 8.270 nan 0.000 0.449 218 S N 1.913 117.599 115.700 -0.024 0.000 2.571 218 S HA 0.163 4.633 4.470 -0.000 0.000 0.298 218 S C 0.572 175.143 174.600 -0.050 0.000 1.280 218 S CA 0.203 58.386 58.200 -0.029 0.000 1.052 218 S CB 0.116 63.321 63.200 0.007 0.000 0.799 218 S HN 0.778 nan 8.310 nan 0.000 0.501 219 A N 3.947 126.718 122.820 -0.082 0.000 2.406 219 A HA 0.594 4.914 4.320 -0.000 0.000 0.243 219 A C 0.871 178.421 177.584 -0.056 0.000 1.082 219 A CA 0.057 52.036 52.037 -0.097 0.000 0.786 219 A CB -0.317 18.581 19.000 -0.170 0.000 1.029 219 A HN 1.204 nan 8.150 nan 0.000 0.495 220 G N -0.706 108.064 108.800 -0.050 0.000 2.521 220 G HA2 0.459 4.419 3.960 -0.000 0.000 0.323 220 G HA3 0.459 4.419 3.960 -0.000 0.000 0.323 220 G C -0.182 174.682 174.900 -0.061 0.000 1.211 220 G CA -0.363 44.712 45.100 -0.041 0.000 0.979 220 G HN 0.995 nan 8.290 nan 0.000 0.490 221 N N -1.412 117.221 118.700 -0.111 0.000 2.756 221 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 221 N C -0.624 174.872 175.510 -0.023 0.000 1.062 221 N CA 0.886 53.802 53.050 -0.223 0.000 0.696 221 N CB -1.259 36.996 38.487 -0.387 0.000 0.946 221 N HN 0.543 nan 8.380 nan 0.000 0.548 222 I N -0.187 120.400 120.570 0.027 0.000 2.499 222 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 222 I C 0.380 176.531 176.117 0.056 0.000 1.048 222 I CA -1.101 60.240 61.300 0.069 0.000 1.062 222 I CB 2.163 40.180 38.000 0.028 0.000 1.238 222 I HN -0.285 nan 8.210 nan 0.000 0.426 223 V N 6.286 126.250 119.914 0.083 0.000 2.521 223 V HA 0.135 4.255 4.120 -0.000 0.000 0.286 223 V C 0.057 176.070 176.094 -0.134 0.000 1.034 223 V CA 0.010 62.316 62.300 0.009 0.000 1.045 223 V CB 0.558 32.384 31.823 0.005 0.000 0.974 223 V HN 0.724 nan 8.190 nan 0.000 0.480 224 Q N 3.542 123.186 119.800 -0.260 0.000 2.294 224 Q HA 0.442 4.782 4.340 -0.000 0.000 0.264 224 Q C -1.266 174.267 176.000 -0.779 0.000 0.992 224 Q CA -0.574 54.903 55.803 -0.543 0.000 0.747 224 Q CB 2.511 30.821 28.738 -0.713 0.000 1.262 224 Q HN 0.593 nan 8.270 nan 0.000 0.452 225 V N 3.373 122.959 119.914 -0.547 0.000 2.583 225 V HA 0.416 4.536 4.120 -0.000 0.000 0.287 225 V C -0.414 175.478 176.094 -0.337 0.000 1.051 225 V CA 0.208 62.300 62.300 -0.346 0.000 1.010 225 V CB 0.357 32.096 31.823 -0.141 0.000 0.988 225 V HN 0.611 nan 8.190 nan 0.000 0.478 226 F N 3.141 123.117 119.950 0.045 0.000 2.612 226 F HA 0.411 4.938 4.527 -0.000 0.000 0.332 226 F C 0.495 176.286 175.800 -0.014 0.000 1.167 226 F CA -1.090 56.921 58.000 0.018 0.000 0.970 226 F CB 1.553 40.556 39.000 0.004 0.000 1.234 226 F HN 0.365 nan 8.300 nan 0.000 0.453 227 K N 3.085 123.570 120.400 0.143 0.000 2.469 227 K HA 0.136 4.456 4.320 -0.000 0.000 0.274 227 K C -0.318 176.227 176.600 -0.091 0.000 0.983 227 K CA 0.175 56.383 56.287 -0.132 0.000 0.974 227 K CB 0.913 33.323 32.500 -0.149 0.000 0.913 227 K HN 0.540 nan 8.250 nan 0.000 0.493 228 K N 0.963 121.264 120.400 -0.165 0.000 2.316 228 K HA 0.341 4.661 4.320 -0.000 0.000 0.251 228 K C -0.654 175.882 176.600 -0.106 0.000 0.934 228 K CA -0.618 55.609 56.287 -0.099 0.000 0.802 228 K CB 1.693 34.147 32.500 -0.076 0.000 1.171 228 K HN 0.735 nan 8.250 nan 0.000 0.426 229 A N 2.082 124.855 122.820 -0.078 0.000 2.672 229 A HA -0.038 4.282 4.320 -0.000 0.000 0.232 229 A C 1.131 178.679 177.584 -0.059 0.000 1.121 229 A CA 1.279 53.278 52.037 -0.063 0.000 0.829 229 A CB -0.208 18.762 19.000 -0.051 0.000 1.027 229 A HN 0.965 nan 8.150 nan 0.000 0.515 230 A N 1.279 124.072 122.820 -0.044 0.000 1.872 230 A HA 0.099 4.419 4.320 -0.000 0.000 0.214 230 A C -0.307 177.261 177.584 -0.027 0.000 1.187 230 A CA 1.399 53.416 52.037 -0.034 0.000 0.614 230 A CB -1.286 17.700 19.000 -0.023 0.000 0.826 230 A HN 0.745 nan 8.150 nan 0.000 0.442 231 P HA 0.091 nan 4.420 nan 0.000 0.261 231 P C -0.164 177.122 177.300 -0.023 0.000 1.650 231 P CA 0.701 63.790 63.100 -0.018 0.000 0.846 231 P CB -0.440 31.251 31.700 -0.016 0.000 1.758 232 S N 0.787 116.468 115.700 -0.031 0.000 2.632 232 S HA 0.626 5.096 4.470 -0.000 0.000 0.289 232 S C -2.008 172.567 174.600 -0.043 0.000 1.115 232 S CA -1.547 56.628 58.200 -0.042 0.000 0.889 232 S CB 2.047 65.212 63.200 -0.058 0.000 1.116 232 S HN -0.125 nan 8.310 nan 0.000 0.486 233 P HA 0.229 nan 4.420 nan 0.000 0.224 233 P C 0.002 177.233 177.300 -0.116 0.000 1.159 233 P CA 0.364 63.429 63.100 -0.058 0.000 0.824 233 P CB -0.270 31.403 31.700 -0.046 0.000 0.833 234 I N 0.084 120.533 120.570 -0.202 0.000 2.440 234 I HA 0.252 4.421 4.170 -0.000 0.000 0.294 234 I C 1.566 177.622 176.117 -0.103 0.000 0.995 234 I CA -0.551 60.610 61.300 -0.232 0.000 1.306 234 I CB 0.627 38.424 38.000 -0.338 0.000 1.407 234 I HN -0.182 nan 8.210 nan 0.000 0.501 235 S N 2.582 118.267 115.700 -0.025 0.000 2.475 235 S HA 0.248 4.718 4.470 -0.000 0.000 0.224 235 S C 0.542 175.015 174.600 -0.212 0.000 1.042 235 S CA 0.296 58.468 58.200 -0.046 0.000 0.935 235 S CB -0.340 62.931 63.200 0.119 0.000 0.801 235 S HN 0.720 nan 8.310 nan 0.000 0.509 236 H N -0.801 118.269 119.070 0.001 0.000 2.985 236 H HA 0.733 5.289 4.556 -0.000 0.000 0.360 236 H C -1.702 173.641 175.328 0.025 0.000 1.221 236 H CA -0.748 55.314 56.048 0.022 0.000 1.121 236 H CB 2.210 31.983 29.762 0.018 0.000 1.854 236 H HN 0.075 nan 8.280 nan 0.000 0.551 237 V N 0.594 120.609 119.914 0.169 0.000 2.891 237 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 237 V C -0.753 175.386 176.094 0.075 0.000 1.171 237 V CA -0.862 61.509 62.300 0.117 0.000 0.943 237 V CB 1.889 33.779 31.823 0.111 0.000 1.037 237 V HN 0.927 nan 8.190 nan 0.000 0.427 238 A N 3.544 126.394 122.820 0.049 0.000 2.303 238 A HA 0.874 5.194 4.320 -0.000 0.000 0.320 238 A C -0.418 177.178 177.584 0.021 0.000 1.192 238 A CA -0.459 51.569 52.037 -0.014 0.000 0.821 238 A CB 0.772 19.768 19.000 -0.007 0.000 1.188 238 A HN 0.847 nan 8.150 nan 0.000 0.492 239 E N 0.785 120.969 120.200 -0.028 0.000 2.281 239 E HA 0.715 5.065 4.350 -0.000 0.000 0.262 239 E C -1.335 175.291 176.600 0.042 0.000 0.933 239 E CA -0.721 55.702 56.400 0.039 0.000 0.809 239 E CB 2.775 32.521 29.700 0.077 0.000 1.242 239 E HN 0.592 nan 8.360 nan 0.000 0.418 240 I N 1.284 121.903 120.570 0.082 0.000 2.622 240 I HA 0.172 4.342 4.170 -0.000 0.000 0.283 240 I C -1.201 174.954 176.117 0.062 0.000 1.202 240 I CA -0.423 60.931 61.300 0.091 0.000 1.075 240 I CB 0.900 39.006 38.000 0.177 0.000 1.274 240 I HN 0.410 nan 8.210 nan 0.000 0.450 241 R N 5.674 126.197 120.500 0.038 0.000 2.351 241 R HA 0.276 4.616 4.340 -0.000 0.000 0.321 241 R C -0.435 175.854 176.300 -0.018 0.000 1.182 241 R CA 0.052 56.167 56.100 0.025 0.000 1.011 241 R CB 0.297 30.612 30.300 0.026 0.000 1.048 241 R HN 0.672 nan 8.270 nan 0.000 0.490 242 S N 2.419 118.115 115.700 -0.006 0.000 2.525 242 S HA 0.781 5.251 4.470 -0.000 0.000 0.278 242 S C -0.309 174.301 174.600 0.017 0.000 1.234 242 S CA -0.634 57.541 58.200 -0.043 0.000 1.058 242 S CB 2.086 65.307 63.200 0.034 0.000 0.983 242 S HN 0.671 nan 8.310 nan 0.000 0.495 243 A N 2.255 125.072 122.820 -0.006 0.000 2.533 243 A HA 0.797 5.117 4.320 -0.000 0.000 0.293 243 A C -1.628 175.980 177.584 0.041 0.000 1.228 243 A CA -1.028 51.038 52.037 0.048 0.000 0.689 243 A CB 0.860 19.883 19.000 0.038 0.000 1.303 243 A HN 0.796 nan 8.150 nan 0.000 0.444 244 L N 0.968 122.214 121.223 0.037 0.000 2.342 244 L HA 0.374 4.714 4.340 -0.000 0.000 0.276 244 L C 1.018 177.897 176.870 0.015 0.000 0.997 244 L CA -0.359 54.488 54.840 0.012 0.000 0.838 244 L CB 1.593 43.625 42.059 -0.046 0.000 1.224 244 L HN 1.004 nan 8.230 nan 0.000 0.416 245 E N 2.044 122.259 120.200 0.024 0.000 2.108 245 E HA -0.213 4.137 4.350 -0.000 0.000 0.203 245 E C -0.099 176.516 176.600 0.025 0.000 1.022 245 E CA 1.612 58.029 56.400 0.029 0.000 0.823 245 E CB 0.101 29.823 29.700 0.036 0.000 0.744 245 E HN 0.489 nan 8.360 nan 0.000 0.456 246 K N -1.200 119.207 120.400 0.011 0.000 2.426 246 K HA 0.467 4.787 4.320 -0.000 0.000 0.251 246 K C -0.675 175.916 176.600 -0.015 0.000 0.941 246 K CA -0.149 56.143 56.287 0.009 0.000 0.808 246 K CB 2.372 34.876 32.500 0.008 0.000 1.265 246 K HN 0.155 nan 8.250 nan 0.000 0.432 247 G N 1.464 110.261 108.800 -0.005 0.000 3.038 247 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.241 247 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.241 247 G C 0.258 175.107 174.900 -0.085 0.000 0.968 247 G CA 0.649 45.730 45.100 -0.032 0.000 0.949 247 G HN 0.781 nan 8.290 nan 0.000 0.394 248 S N 1.713 117.389 115.700 -0.041 0.000 4.035 248 S HA -0.342 4.128 4.470 -0.000 0.000 0.251 248 S C 1.256 175.871 174.600 0.024 0.000 1.813 248 S CA 2.028 60.193 58.200 -0.058 0.000 4.119 248 S CB -1.409 61.577 63.200 -0.357 0.000 0.327 248 S HN 2.524 nan 8.310 nan 0.000 0.457 249 R N 0.099 120.578 120.500 -0.036 0.000 3.155 249 R HA -0.050 4.290 4.340 -0.000 0.000 0.267 249 R C -0.087 176.341 176.300 0.213 0.000 1.078 249 R CA 0.727 56.867 56.100 0.066 0.000 0.712 249 R CB -2.616 27.735 30.300 0.085 0.000 1.287 249 R HN 0.534 nan 8.270 nan 0.000 0.395 250 F N 0.924 120.902 119.950 0.048 0.000 2.589 250 F HA 0.073 4.600 4.527 -0.000 0.000 0.352 250 F C 1.532 177.360 175.800 0.046 0.000 1.168 250 F CA -0.036 57.995 58.000 0.053 0.000 1.353 250 F CB 0.495 39.531 39.000 0.061 0.000 1.116 250 F HN 0.099 nan 8.300 nan 0.000 0.608 251 I N 2.631 123.326 120.570 0.209 0.000 2.641 251 I HA 0.084 4.254 4.170 -0.000 0.000 0.275 251 I C -0.947 175.211 176.117 0.068 0.000 1.129 251 I CA -0.231 61.138 61.300 0.114 0.000 1.094 251 I CB 1.110 39.159 38.000 0.080 0.000 1.232 251 I HN 0.371 nan 8.210 nan 0.000 0.503 252 S N 1.971 117.723 115.700 0.088 0.000 2.622 252 S HA 0.428 4.898 4.470 -0.000 0.000 0.283 252 S C -0.089 174.558 174.600 0.078 0.000 1.197 252 S CA -0.646 57.598 58.200 0.072 0.000 1.146 252 S CB 0.885 64.152 63.200 0.111 0.000 1.007 252 S HN 0.374 nan 8.310 nan 0.000 0.478 253 T N 4.757 119.350 114.554 0.064 0.000 2.814 253 T HA 0.343 4.693 4.350 -0.000 0.000 0.297 253 T C 0.120 174.877 174.700 0.095 0.000 0.956 253 T CA -0.399 61.745 62.100 0.074 0.000 1.123 253 T CB 0.350 69.258 68.868 0.067 0.000 0.902 253 T HN 0.689 nan 8.240 nan 0.000 0.528 254 L N 3.410 124.699 121.223 0.110 0.000 2.375 254 L HA 0.459 4.799 4.340 -0.000 0.000 0.271 254 L C -0.364 176.591 176.870 0.141 0.000 1.107 254 L CA 0.051 54.981 54.840 0.149 0.000 0.806 254 L CB 0.878 43.036 42.059 0.165 0.000 1.146 254 L HN 0.609 nan 8.230 nan 0.000 0.447 255 Q N 4.101 123.992 119.800 0.152 0.000 2.337 255 Q HA 0.406 4.746 4.340 -0.000 0.000 0.260 255 Q C -1.443 174.647 176.000 0.150 0.000 0.982 255 Q CA -0.727 55.157 55.803 0.136 0.000 0.734 255 Q CB 2.259 31.068 28.738 0.119 0.000 1.272 255 Q HN 0.565 nan 8.270 nan 0.000 0.461 256 V N 3.550 123.550 119.914 0.142 0.000 2.339 256 V HA 0.191 4.311 4.120 -0.000 0.000 0.261 256 V C -0.003 176.176 176.094 0.142 0.000 1.058 256 V CA -0.296 62.093 62.300 0.149 0.000 0.897 256 V CB 0.023 31.927 31.823 0.135 0.000 1.052 256 V HN 0.545 nan 8.190 nan 0.000 0.480 257 K N 4.027 124.534 120.400 0.179 0.000 2.118 257 K HA 0.601 4.921 4.320 -0.000 0.000 0.267 257 K C -0.588 176.151 176.600 0.231 0.000 0.991 257 K CA -0.832 55.557 56.287 0.171 0.000 0.916 257 K CB 1.755 34.349 32.500 0.157 0.000 1.041 257 K HN 0.437 nan 8.250 nan 0.000 0.455 258 L N 3.469 124.797 121.223 0.175 0.000 2.387 258 L HA 0.295 4.635 4.340 -0.000 0.000 0.259 258 L C -1.389 175.605 176.870 0.207 0.000 1.050 258 L CA -0.459 54.502 54.840 0.203 0.000 0.922 258 L CB -0.205 41.940 42.059 0.143 0.000 1.280 258 L HN 0.401 nan 8.230 nan 0.000 0.449 259 Y N 2.997 123.343 120.300 0.076 0.000 2.683 259 Y HA 0.437 4.987 4.550 -0.000 0.000 0.340 259 Y C 1.383 177.322 175.900 0.065 0.000 1.245 259 Y CA 0.726 58.866 58.100 0.068 0.000 1.485 259 Y CB 0.454 38.950 38.460 0.061 0.000 1.328 259 Y HN 0.822 nan 8.280 nan 0.000 0.603 260 G N 2.890 111.791 108.800 0.170 0.000 3.421 260 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 260 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 260 G C -0.578 174.378 174.900 0.093 0.000 1.056 260 G CA -1.100 44.073 45.100 0.122 0.000 0.891 260 G HN 0.592 nan 8.290 nan 0.000 0.514 261 R N 1.298 121.839 120.500 0.068 0.000 2.580 261 R HA 0.315 4.655 4.340 -0.000 0.000 0.267 261 R C 0.586 176.925 176.300 0.065 0.000 1.125 261 R CA -0.697 55.440 56.100 0.061 0.000 1.188 261 R CB 0.812 31.132 30.300 0.033 0.000 1.155 261 R HN 0.671 nan 8.270 nan 0.000 0.586 262 E N 0.482 120.721 120.200 0.066 0.000 2.603 262 E HA -0.052 4.298 4.350 -0.000 0.000 0.242 262 E C 0.562 177.188 176.600 0.045 0.000 1.083 262 E CA 1.034 57.469 56.400 0.058 0.000 0.950 262 E CB 0.068 29.801 29.700 0.056 0.000 0.952 262 E HN 0.863 nan 8.360 nan 0.000 0.498 263 G N 2.927 111.753 108.800 0.044 0.000 2.195 263 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.224 263 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.224 263 G C 0.441 175.365 174.900 0.040 0.000 0.990 263 G CA 0.151 45.274 45.100 0.039 0.000 0.639 263 G HN 0.682 nan 8.290 nan 0.000 0.514 264 S N 0.371 116.099 115.700 0.046 0.000 2.580 264 S HA 0.478 4.948 4.470 -0.000 0.000 0.261 264 S C 0.785 175.414 174.600 0.049 0.000 1.366 264 S CA 0.725 58.955 58.200 0.050 0.000 0.996 264 S CB 1.153 64.390 63.200 0.062 0.000 0.902 264 S HN 1.882 nan 8.310 nan 0.000 0.566 265 S N 0.390 116.119 115.700 0.049 0.000 2.400 265 S HA 0.556 5.026 4.470 -0.000 0.000 0.295 265 S C 0.374 175.004 174.600 0.049 0.000 1.113 265 S CA -0.363 57.863 58.200 0.044 0.000 1.064 265 S CB -0.495 62.728 63.200 0.039 0.000 0.990 265 S HN 2.281 nan 8.310 nan 0.000 0.502 266 A N 2.833 125.681 122.820 0.046 0.000 2.089 266 A HA -0.142 4.178 4.320 -0.000 0.000 0.260 266 A C 0.270 177.891 177.584 0.062 0.000 1.378 266 A CA -0.126 51.939 52.037 0.046 0.000 0.714 266 A CB -1.635 17.388 19.000 0.039 0.000 1.180 266 A HN 0.872 nan 8.150 nan 0.000 0.304 267 R N 1.176 121.714 120.500 0.064 0.000 2.291 267 R HA 0.322 4.662 4.340 -0.000 0.000 0.333 267 R C 0.682 177.031 176.300 0.082 0.000 1.082 267 R CA 0.791 56.942 56.100 0.084 0.000 0.948 267 R CB 0.629 30.973 30.300 0.073 0.000 1.009 267 R HN 0.767 nan 8.270 nan 0.000 0.460 268 T N 2.792 117.408 114.554 0.104 0.000 2.943 268 T HA 0.534 4.884 4.350 -0.000 0.000 0.284 268 T C 0.048 174.827 174.700 0.131 0.000 1.015 268 T CA -0.643 61.508 62.100 0.086 0.000 1.042 268 T CB 0.811 69.702 68.868 0.038 0.000 1.055 268 T HN 0.377 nan 8.240 nan 0.000 0.500 269 I N 3.430 124.065 120.570 0.109 0.000 2.389 269 I HA 0.463 4.633 4.170 -0.000 0.000 0.288 269 I C 0.116 176.313 176.117 0.133 0.000 0.999 269 I CA -0.793 60.593 61.300 0.144 0.000 1.129 269 I CB 1.683 39.754 38.000 0.120 0.000 1.288 269 I HN 0.565 nan 8.210 nan 0.000 0.444 270 K N 4.307 124.816 120.400 0.182 0.000 2.352 270 K HA 0.922 5.242 4.320 -0.000 0.000 0.240 270 K C -0.894 175.815 176.600 0.181 0.000 1.017 270 K CA -0.818 55.555 56.287 0.143 0.000 0.851 270 K CB 2.613 35.142 32.500 0.048 0.000 1.261 270 K HN 0.616 nan 8.250 nan 0.000 0.451 271 A N 0.354 123.263 122.820 0.148 0.000 2.435 271 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 271 A C -1.113 176.554 177.584 0.138 0.000 1.147 271 A CA -0.603 51.526 52.037 0.152 0.000 0.775 271 A CB 1.841 20.924 19.000 0.137 0.000 1.340 271 A HN 0.491 nan 8.150 nan 0.000 0.427 272 T N 1.435 116.077 114.554 0.147 0.000 2.847 272 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 272 T C -0.700 174.083 174.700 0.139 0.000 0.998 272 T CA -0.070 62.105 62.100 0.126 0.000 0.967 272 T CB 0.270 69.212 68.868 0.123 0.000 0.954 272 T HN 0.447 nan 8.240 nan 0.000 0.441 273 L N 5.440 126.724 121.223 0.103 0.000 2.344 273 L HA 0.568 4.908 4.340 -0.000 0.000 0.272 273 L C -1.755 175.183 176.870 0.114 0.000 1.035 273 L CA -2.459 52.454 54.840 0.122 0.000 0.807 273 L CB 1.379 43.453 42.059 0.026 0.000 1.237 273 L HN 0.360 nan 8.230 nan 0.000 0.442 274 P HA -0.030 nan 4.420 nan 0.000 0.271 274 P C -0.461 176.990 177.300 0.252 0.000 1.233 274 P CA -0.011 63.199 63.100 0.183 0.000 0.789 274 P CB 0.262 32.138 31.700 0.294 0.000 0.951 275 Y N -2.718 117.572 120.300 -0.016 0.000 4.548 275 Y HA -0.220 4.330 4.550 -0.000 0.000 0.212 275 Y C 0.751 176.654 175.900 0.005 0.000 1.049 275 Y CA 0.643 58.742 58.100 -0.003 0.000 1.809 275 Y CB -2.294 36.151 38.460 -0.025 0.000 1.601 275 Y HN 0.248 nan 8.280 nan 0.000 0.605 276 I N 0.737 121.375 120.570 0.113 0.000 2.382 276 I HA 0.139 4.309 4.170 -0.000 0.000 0.286 276 I C 0.685 176.831 176.117 0.048 0.000 1.002 276 I CA -0.904 60.435 61.300 0.067 0.000 1.135 276 I CB 1.457 39.459 38.000 0.004 0.000 1.288 276 I HN -0.030 nan 8.210 nan 0.000 0.448 277 K N 5.989 126.419 120.400 0.050 0.000 2.914 277 K HA 0.073 4.393 4.320 -0.000 0.000 0.246 277 K C -0.053 176.556 176.600 0.015 0.000 0.949 277 K CA 0.277 56.583 56.287 0.031 0.000 1.136 277 K CB -0.129 32.391 32.500 0.032 0.000 0.976 277 K HN 0.580 nan 8.250 nan 0.000 0.473 278 Q N -0.476 119.331 119.800 0.013 0.000 2.943 278 Q HA 0.112 4.452 4.340 -0.000 0.000 0.305 278 Q C -1.866 174.150 176.000 0.027 0.000 0.873 278 Q CA -0.793 55.017 55.803 0.012 0.000 0.773 278 Q CB 1.781 30.502 28.738 -0.028 0.000 1.501 278 Q HN 0.087 nan 8.270 nan 0.000 0.442 279 D N 1.105 121.533 120.400 0.046 0.000 2.193 279 D HA 0.535 5.175 4.640 -0.000 0.000 0.249 279 D C -0.744 175.589 176.300 0.056 0.000 1.034 279 D CA -0.007 54.035 54.000 0.071 0.000 0.902 279 D CB 1.170 42.040 40.800 0.117 0.000 1.182 279 D HN 0.315 nan 8.370 nan 0.000 0.436 280 I N 3.101 123.718 120.570 0.078 0.000 2.439 280 I HA 0.166 4.336 4.170 -0.000 0.000 0.283 280 I C -2.269 173.923 176.117 0.126 0.000 1.023 280 I CA -2.248 59.133 61.300 0.135 0.000 1.100 280 I CB 2.433 40.497 38.000 0.106 0.000 1.238 280 I HN -0.024 nan 8.210 nan 0.000 0.445 281 P HA -0.093 nan 4.420 nan 0.000 0.261 281 P C 1.214 178.577 177.300 0.106 0.000 1.158 281 P CA 0.430 63.579 63.100 0.081 0.000 0.758 281 P CB 0.473 32.194 31.700 0.035 0.000 0.763 282 I N 2.031 122.679 120.570 0.129 0.000 2.113 282 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 282 I C 1.758 178.044 176.117 0.281 0.000 1.057 282 I CA 1.741 63.154 61.300 0.189 0.000 1.314 282 I CB -1.452 36.705 38.000 0.260 0.000 1.022 282 I HN 0.035 nan 8.210 nan 0.000 0.408 283 V N 2.026 122.087 119.914 0.245 0.000 2.250 283 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 283 V C 2.676 178.888 176.094 0.196 0.000 1.060 283 V CA 2.661 65.101 62.300 0.232 0.000 1.030 283 V CB -0.912 30.970 31.823 0.097 0.000 0.643 283 V HN 0.481 nan 8.190 nan 0.000 0.445 284 I N -0.211 120.422 120.570 0.105 0.000 2.113 284 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 284 I C 2.408 178.570 176.117 0.075 0.000 1.064 284 I CA 2.170 63.517 61.300 0.077 0.000 1.320 284 I CB -0.515 37.540 38.000 0.091 0.000 1.028 284 I HN 0.260 nan 8.210 nan 0.000 0.406 285 I N -0.084 120.510 120.570 0.040 0.000 2.264 285 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 285 I C 2.484 178.529 176.117 -0.120 0.000 1.111 285 I CA 1.697 62.936 61.300 -0.102 0.000 1.382 285 I CB -0.401 37.481 38.000 -0.196 0.000 1.060 285 I HN 0.087 nan 8.210 nan 0.000 0.418 286 F N 1.045 120.973 119.950 -0.038 0.000 2.051 286 F HA -0.212 4.315 4.527 -0.000 0.000 0.296 286 F C 2.827 178.590 175.800 -0.061 0.000 1.122 286 F CA 1.578 59.546 58.000 -0.053 0.000 1.201 286 F CB -0.282 38.694 39.000 -0.040 0.000 0.978 286 F HN -0.159 nan 8.300 nan 0.000 0.472 287 R N -0.084 120.522 120.500 0.177 0.000 2.105 287 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 287 R C 2.326 178.650 176.300 0.040 0.000 1.135 287 R CA 1.151 57.301 56.100 0.084 0.000 0.967 287 R CB -0.770 29.565 30.300 0.058 0.000 0.861 287 R HN 0.305 nan 8.270 nan 0.000 0.442 288 A N 0.848 123.680 122.820 0.021 0.000 1.978 288 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 288 A C 1.987 179.553 177.584 -0.030 0.000 1.170 288 A CA 1.171 53.201 52.037 -0.011 0.000 0.636 288 A CB -0.353 18.624 19.000 -0.039 0.000 0.810 288 A HN 0.226 nan 8.150 nan 0.000 0.448 289 L N -1.979 119.220 121.223 -0.039 0.000 2.554 289 L HA 0.191 4.531 4.340 -0.000 0.000 0.226 289 L C 1.781 178.647 176.870 -0.006 0.000 1.137 289 L CA 0.642 55.458 54.840 -0.040 0.000 0.863 289 L CB 0.138 42.147 42.059 -0.084 0.000 0.985 289 L HN 0.608 nan 8.230 nan 0.000 0.451 290 G N -0.008 108.798 108.800 0.010 0.000 2.316 290 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.203 290 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.203 290 G C 0.281 175.191 174.900 0.018 0.000 0.999 290 G CA -0.496 44.611 45.100 0.011 0.000 0.649 290 G HN 0.148 nan 8.290 nan 0.000 0.489 291 I N 2.174 122.765 120.570 0.035 0.000 2.301 291 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 291 I C 1.397 177.539 176.117 0.041 0.000 1.046 291 I CA -0.375 60.941 61.300 0.027 0.000 1.282 291 I CB 0.878 38.876 38.000 -0.002 0.000 1.409 291 I HN 0.092 nan 8.210 nan 0.000 0.484 292 I N 6.510 127.091 120.570 0.019 0.000 2.899 292 I HA 0.108 4.278 4.170 -0.000 0.000 0.257 292 I C -1.489 174.632 176.117 0.006 0.000 1.115 292 I CA -0.210 61.101 61.300 0.018 0.000 1.451 292 I CB -0.452 37.558 38.000 0.016 0.000 1.251 292 I HN 0.390 nan 8.210 nan 0.000 0.456 293 P HA -0.017 nan 4.420 nan 0.000 0.263 293 P C -1.032 176.252 177.300 -0.027 0.000 1.195 293 P CA 0.308 63.406 63.100 -0.004 0.000 0.762 293 P CB 0.200 31.898 31.700 -0.003 0.000 0.799 294 D N 2.354 122.745 120.400 -0.015 0.000 2.406 294 D HA 0.129 4.769 4.640 -0.000 0.000 0.234 294 D C 1.809 178.078 176.300 -0.051 0.000 1.196 294 D CA 1.484 55.463 54.000 -0.036 0.000 0.881 294 D CB -0.173 40.614 40.800 -0.022 0.000 1.205 294 D HN 0.680 nan 8.370 nan 0.000 0.453 295 G N 1.311 110.071 108.800 -0.068 0.000 2.435 295 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.245 295 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.245 295 G C 1.017 175.883 174.900 -0.058 0.000 1.073 295 G CA 0.730 45.794 45.100 -0.060 0.000 0.638 295 G HN 0.589 nan 8.290 nan 0.000 0.521 296 E N 0.079 120.248 120.200 -0.051 0.000 2.299 296 E HA 0.255 4.605 4.350 -0.000 0.000 0.193 296 E C 2.519 179.112 176.600 -0.012 0.000 0.998 296 E CA 0.526 56.914 56.400 -0.020 0.000 0.851 296 E CB -0.066 29.634 29.700 -0.001 0.000 0.795 296 E HN 0.675 nan 8.360 nan 0.000 0.492 297 I N 0.688 121.173 120.570 -0.141 0.000 2.339 297 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 297 I C 1.993 177.924 176.117 -0.310 0.000 1.096 297 I CA 0.571 61.626 61.300 -0.408 0.000 1.408 297 I CB -0.013 37.673 38.000 -0.523 0.000 1.092 297 I HN 0.181 nan 8.210 nan 0.000 0.423 298 L N 0.267 121.388 121.223 -0.170 0.000 2.353 298 L HA -0.174 4.166 4.340 -0.000 0.000 0.220 298 L C 2.261 179.107 176.870 -0.040 0.000 1.133 298 L CA 1.167 55.948 54.840 -0.099 0.000 0.798 298 L CB -0.803 41.216 42.059 -0.066 0.000 0.922 298 L HN 0.353 nan 8.230 nan 0.000 0.445 299 E N -0.368 119.820 120.200 -0.019 0.000 2.047 299 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 299 E C 2.029 178.721 176.600 0.153 0.000 0.987 299 E CA 0.861 57.280 56.400 0.031 0.000 0.799 299 E CB -0.063 29.615 29.700 -0.038 0.000 0.752 299 E HN 0.606 nan 8.360 nan 0.000 0.449 300 H N -0.026 119.124 119.070 0.133 0.000 2.518 300 H HA -0.039 4.517 4.556 -0.000 0.000 0.289 300 H C 1.951 177.506 175.328 0.379 0.000 1.051 300 H CA 0.790 57.055 56.048 0.363 0.000 1.280 300 H CB 0.314 30.159 29.762 0.140 0.000 1.380 300 H HN 0.209 nan 8.280 nan 0.000 0.566 301 I N -0.394 120.282 120.570 0.177 0.000 3.313 301 I HA -0.076 4.094 4.170 -0.000 0.000 0.233 301 I C 1.232 177.121 176.117 -0.379 0.000 1.050 301 I CA 0.023 61.319 61.300 -0.006 0.000 1.499 301 I CB 0.078 38.084 38.000 0.011 0.000 1.373 301 I HN 0.083 nan 8.210 nan 0.000 0.458 302 C N 1.823 120.979 119.300 -0.240 0.000 2.585 302 C HA 0.158 4.618 4.460 -0.000 0.000 0.406 302 C C 0.228 175.111 174.990 -0.178 0.000 1.312 302 C CA -0.309 58.561 59.018 -0.248 0.000 1.924 302 C CB -1.167 26.515 27.740 -0.098 0.000 2.578 302 C HN 0.394 nan 8.230 nan 0.000 0.580 303 Y N 4.487 124.869 120.300 0.136 0.000 2.783 303 Y HA 0.394 4.944 4.550 -0.000 0.000 0.382 303 Y C 0.411 176.374 175.900 0.104 0.000 1.076 303 Y CA -0.489 57.701 58.100 0.151 0.000 1.530 303 Y CB -0.008 38.599 38.460 0.244 0.000 1.546 303 Y HN 0.771 nan 8.280 nan 0.000 0.537 304 D N -0.722 119.786 120.400 0.181 0.000 2.575 304 D HA 0.014 4.654 4.640 -0.000 0.000 0.214 304 D C -0.269 176.077 176.300 0.076 0.000 1.100 304 D CA -0.277 53.799 54.000 0.127 0.000 0.790 304 D CB 1.291 42.157 40.800 0.110 0.000 2.767 304 D HN 0.010 nan 8.370 nan 0.000 0.474 305 V N 2.845 122.795 119.914 0.060 0.000 3.541 305 V HA 0.077 4.197 4.120 -0.000 0.000 0.267 305 V C 1.500 177.633 176.094 0.064 0.000 1.213 305 V CA 0.521 62.839 62.300 0.030 0.000 1.149 305 V CB -0.427 31.382 31.823 -0.024 0.000 0.822 305 V HN 0.506 nan 8.190 nan 0.000 0.462 306 N N 0.583 119.333 118.700 0.083 0.000 2.314 306 N HA 0.014 4.754 4.740 -0.000 0.000 0.200 306 N C 0.510 176.103 175.510 0.138 0.000 1.135 306 N CA 0.256 53.378 53.050 0.120 0.000 0.835 306 N CB 0.273 38.822 38.487 0.104 0.000 0.989 306 N HN 0.380 nan 8.380 nan 0.000 0.478 307 D N 1.193 121.638 120.400 0.074 0.000 3.179 307 D HA 0.000 4.640 4.640 -0.000 0.000 0.267 307 D C 1.605 177.858 176.300 -0.077 0.000 1.348 307 D CA -0.750 53.224 54.000 -0.042 0.000 0.897 307 D CB -0.235 40.529 40.800 -0.060 0.000 1.062 307 D HN 0.227 nan 8.370 nan 0.000 0.494 308 W N 0.888 122.184 121.300 -0.007 0.000 2.290 308 W HA -0.285 4.375 4.660 -0.000 0.000 0.311 308 W C 1.250 177.761 176.519 -0.014 0.000 1.238 308 W CA 0.531 57.868 57.345 -0.013 0.000 1.255 308 W CB -0.976 28.477 29.460 -0.012 0.000 1.145 308 W HN 0.194 nan 8.180 nan 0.000 0.506 309 Q N 0.524 119.653 119.800 -1.118 0.000 2.082 309 Q HA -0.304 4.036 4.340 -0.000 0.000 0.211 309 Q C 2.438 178.203 176.000 -0.391 0.000 1.002 309 Q CA 3.017 58.196 55.803 -1.040 0.000 0.868 309 Q CB -0.643 27.456 28.738 -1.065 0.000 0.931 309 Q HN 0.508 nan 8.270 nan 0.000 0.414 310 M N 0.096 119.525 119.600 -0.284 0.000 2.081 310 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 310 M C 2.202 178.451 176.300 -0.085 0.000 1.075 310 M CA 1.140 56.344 55.300 -0.161 0.000 1.133 310 M CB -0.110 32.406 32.600 -0.139 0.000 1.330 310 M HN 0.204 nan 8.290 nan 0.000 0.414 311 L N 0.358 121.551 121.223 -0.050 0.000 2.054 311 L HA -0.323 4.017 4.340 -0.000 0.000 0.220 311 L C 2.430 179.312 176.870 0.021 0.000 1.081 311 L CA 2.062 56.901 54.840 -0.000 0.000 0.780 311 L CB -0.907 41.177 42.059 0.042 0.000 0.893 311 L HN 0.422 nan 8.230 nan 0.000 0.438 312 E N 0.199 120.435 120.200 0.059 0.000 2.033 312 E HA -0.283 4.067 4.350 -0.000 0.000 0.199 312 E C 2.215 178.834 176.600 0.032 0.000 1.011 312 E CA 1.844 58.292 56.400 0.081 0.000 0.815 312 E CB -0.266 29.530 29.700 0.160 0.000 0.755 312 E HN 0.253 nan 8.360 nan 0.000 0.451 313 M N -0.280 119.320 119.600 0.000 0.000 2.192 313 M HA -0.230 4.250 4.480 -0.000 0.000 0.256 313 M C 2.235 178.536 176.300 0.002 0.000 1.076 313 M CA 1.405 56.700 55.300 -0.009 0.000 1.075 313 M CB -0.491 32.084 32.600 -0.042 0.000 1.368 313 M HN 0.259 nan 8.290 nan 0.000 0.406 314 L N -1.025 120.197 121.223 -0.002 0.000 2.313 314 L HA -0.143 4.197 4.340 -0.000 0.000 0.214 314 L C 2.338 179.212 176.870 0.007 0.000 1.119 314 L CA 0.432 55.275 54.840 0.004 0.000 0.809 314 L CB -0.461 41.593 42.059 -0.008 0.000 0.933 314 L HN 0.270 nan 8.230 nan 0.000 0.449 315 K N 0.836 121.240 120.400 0.007 0.000 2.013 315 K HA -0.222 4.098 4.320 -0.000 0.000 0.225 315 K C -0.521 176.080 176.600 0.002 0.000 1.056 315 K CA 2.257 58.544 56.287 0.000 0.000 0.971 315 K CB -1.454 31.049 32.500 0.006 0.000 0.731 315 K HN 0.246 nan 8.250 nan 0.000 0.450 316 P HA -0.172 nan 4.420 nan 0.000 0.227 316 P C 1.014 178.327 177.300 0.022 0.000 1.145 316 P CA 1.262 64.373 63.100 0.017 0.000 0.769 316 P CB -0.127 31.588 31.700 0.025 0.000 0.769 317 C N -0.909 118.405 119.300 0.024 0.000 2.492 317 C HA -0.018 4.442 4.460 -0.000 0.000 0.279 317 C C 2.880 177.888 174.990 0.030 0.000 1.335 317 C CA 0.348 59.386 59.018 0.033 0.000 1.734 317 C CB -1.264 26.501 27.740 0.042 0.000 2.027 317 C HN 0.114 nan 8.230 nan 0.000 0.496 318 V N 0.950 120.875 119.914 0.018 0.000 2.515 318 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 318 V C 2.409 178.532 176.094 0.049 0.000 1.058 318 V CA 1.624 63.938 62.300 0.023 0.000 1.064 318 V CB -0.683 31.134 31.823 -0.010 0.000 0.675 318 V HN 0.506 nan 8.190 nan 0.000 0.461 319 E N 0.405 120.623 120.200 0.030 0.000 2.007 319 E HA -0.284 4.066 4.350 -0.000 0.000 0.203 319 E C 2.006 178.648 176.600 0.070 0.000 1.020 319 E CA 1.799 58.231 56.400 0.053 0.000 0.845 319 E CB -0.770 28.947 29.700 0.028 0.000 0.779 319 E HN 0.513 nan 8.360 nan 0.000 0.466 320 D N -0.274 120.141 120.400 0.025 0.000 2.242 320 D HA -0.181 4.459 4.640 -0.000 0.000 0.190 320 D C 1.725 177.996 176.300 -0.048 0.000 1.012 320 D CA 1.943 55.933 54.000 -0.016 0.000 0.875 320 D CB -0.579 40.208 40.800 -0.022 0.000 0.922 320 D HN 0.365 nan 8.370 nan 0.000 0.448 321 G N -1.540 107.254 108.800 -0.010 0.000 3.088 321 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 321 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 321 G C 0.916 175.828 174.900 0.021 0.000 1.159 321 G CA -0.329 44.749 45.100 -0.036 0.000 0.760 321 G HN 0.234 nan 8.290 nan 0.000 0.550 322 F N 1.519 121.427 119.950 -0.069 0.000 2.664 322 F HA 0.066 4.593 4.527 -0.000 0.000 0.297 322 F C 1.628 177.391 175.800 -0.062 0.000 1.164 322 F CA 0.263 58.230 58.000 -0.055 0.000 1.472 322 F CB 0.334 39.309 39.000 -0.042 0.000 1.108 322 F HN 0.014 nan 8.300 nan 0.000 0.596 323 V N 0.335 120.095 119.914 -0.257 0.000 3.307 323 V HA 0.084 4.204 4.120 -0.000 0.000 0.253 323 V C 0.961 176.899 176.094 -0.260 0.000 1.149 323 V CA 0.397 62.500 62.300 -0.328 0.000 1.112 323 V CB -0.042 31.641 31.823 -0.232 0.000 0.777 323 V HN 0.003 nan 8.190 nan 0.000 0.464 324 I N 0.622 121.072 120.570 -0.200 0.000 2.354 324 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 324 I C 0.406 176.466 176.117 -0.095 0.000 0.989 324 I CA -0.043 61.173 61.300 -0.140 0.000 1.188 324 I CB 1.759 39.681 38.000 -0.130 0.000 1.342 324 I HN 0.055 nan 8.210 nan 0.000 0.457 325 Q N 4.326 124.079 119.800 -0.078 0.000 2.118 325 Q HA 0.145 4.485 4.340 -0.000 0.000 0.219 325 Q C -1.184 174.804 176.000 -0.020 0.000 0.794 325 Q CA -0.114 55.663 55.803 -0.045 0.000 1.035 325 Q CB 0.588 29.288 28.738 -0.063 0.000 1.177 325 Q HN 0.740 nan 8.270 nan 0.000 0.478 326 D N -2.274 118.117 120.400 -0.015 0.000 2.753 326 D HA 0.132 4.772 4.640 -0.000 0.000 0.224 326 D C 0.081 176.385 176.300 0.006 0.000 1.213 326 D CA -0.645 53.353 54.000 -0.003 0.000 0.833 326 D CB 0.882 41.678 40.800 -0.006 0.000 1.607 326 D HN 0.009 nan 8.370 nan 0.000 0.463 327 R N 0.962 121.468 120.500 0.010 0.000 2.133 327 R HA -0.216 4.124 4.340 -0.000 0.000 0.247 327 R C 1.364 177.672 176.300 0.014 0.000 1.151 327 R CA 1.977 58.084 56.100 0.012 0.000 0.971 327 R CB 0.103 30.409 30.300 0.010 0.000 0.866 327 R HN 0.570 nan 8.270 nan 0.000 0.447 328 E N -0.938 119.269 120.200 0.012 0.000 2.017 328 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 328 E C 1.959 178.574 176.600 0.025 0.000 0.997 328 E CA 1.962 58.372 56.400 0.016 0.000 0.804 328 E CB -0.128 29.579 29.700 0.012 0.000 0.757 328 E HN 0.412 nan 8.360 nan 0.000 0.448 329 T N 1.395 115.962 114.554 0.023 0.000 2.720 329 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 329 T C 2.019 176.762 174.700 0.071 0.000 1.037 329 T CA 1.325 63.447 62.100 0.037 0.000 1.144 329 T CB -0.356 68.519 68.868 0.010 0.000 0.864 329 T HN 0.254 nan 8.240 nan 0.000 0.444 330 A N 1.666 124.518 122.820 0.053 0.000 1.851 330 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 330 A C 2.188 179.821 177.584 0.082 0.000 1.195 330 A CA 1.401 53.484 52.037 0.077 0.000 0.622 330 A CB -1.035 17.991 19.000 0.043 0.000 0.831 330 A HN 0.352 nan 8.150 nan 0.000 0.444 331 L N 0.009 121.257 121.223 0.041 0.000 2.263 331 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 331 L C 1.901 178.795 176.870 0.040 0.000 1.111 331 L CA 2.325 57.178 54.840 0.022 0.000 0.773 331 L CB -0.925 41.142 42.059 0.014 0.000 0.906 331 L HN 0.611 nan 8.230 nan 0.000 0.439 332 D N -1.796 118.644 120.400 0.066 0.000 2.201 332 D HA -0.203 4.437 4.640 -0.000 0.000 0.209 332 D C 1.976 178.336 176.300 0.101 0.000 0.961 332 D CA 0.269 54.313 54.000 0.072 0.000 0.861 332 D CB -0.092 40.750 40.800 0.069 0.000 0.997 332 D HN 0.177 nan 8.370 nan 0.000 0.486 333 F N 1.150 121.096 119.950 -0.006 0.000 2.481 333 F HA 0.026 4.553 4.527 -0.000 0.000 0.297 333 F C 0.422 176.222 175.800 0.001 0.000 1.095 333 F CA 0.743 58.739 58.000 -0.006 0.000 1.465 333 F CB -0.223 38.770 39.000 -0.013 0.000 1.098 333 F HN -0.004 nan 8.300 nan 0.000 0.585 334 I N 1.031 121.534 120.570 -0.112 0.000 2.234 334 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 334 I C 0.686 176.757 176.117 -0.077 0.000 1.131 334 I CA -0.045 61.157 61.300 -0.162 0.000 1.335 334 I CB -0.709 37.242 38.000 -0.081 0.000 1.511 334 I HN 0.125 nan 8.210 nan 0.000 0.588 346 E N 0.977 121.184 120.200 0.012 0.000 4.000 346 E HA -0.442 3.908 4.350 -0.000 0.000 0.226 346 E C 1.210 177.819 176.600 0.015 0.000 1.270 346 E CA 2.565 58.972 56.400 0.012 0.000 2.118 346 E CB -1.005 28.699 29.700 0.006 0.000 1.850 346 E HN 0.455 nan 8.360 nan 0.000 0.280 347 K N 0.774 121.177 120.400 0.004 0.000 2.030 347 K HA -0.322 3.998 4.320 -0.000 0.000 0.222 347 K C 2.220 178.832 176.600 0.020 0.000 1.056 347 K CA 2.618 58.903 56.287 -0.003 0.000 0.957 347 K CB -0.522 31.958 32.500 -0.034 0.000 0.727 347 K HN 0.362 nan 8.250 nan 0.000 0.452 348 R N 1.097 121.608 120.500 0.018 0.000 2.097 348 R HA -0.155 4.185 4.340 -0.000 0.000 0.236 348 R C 2.429 178.796 176.300 0.111 0.000 1.135 348 R CA 2.030 58.172 56.100 0.071 0.000 0.934 348 R CB -1.177 29.150 30.300 0.044 0.000 0.846 348 R HN 0.177 nan 8.270 nan 0.000 0.431 349 I N 1.249 121.858 120.570 0.063 0.000 2.143 349 I HA -0.352 3.818 4.170 -0.000 0.000 0.245 349 I C 2.906 179.057 176.117 0.057 0.000 1.068 349 I CA 1.866 63.197 61.300 0.051 0.000 1.326 349 I CB -0.369 37.651 38.000 0.034 0.000 1.028 349 I HN 0.292 nan 8.210 nan 0.000 0.412 350 Q N 0.202 120.042 119.800 0.065 0.000 2.050 350 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 350 Q C 2.080 178.141 176.000 0.101 0.000 0.980 350 Q CA 1.822 57.664 55.803 0.065 0.000 0.840 350 Q CB -0.633 28.140 28.738 0.057 0.000 0.898 350 Q HN 0.514 nan 8.270 nan 0.000 0.424 351 Y N 0.288 120.573 120.300 -0.025 0.000 2.102 351 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 351 Y C 1.968 177.846 175.900 -0.037 0.000 1.178 351 Y CA 1.730 59.809 58.100 -0.036 0.000 1.146 351 Y CB -0.982 37.459 38.460 -0.031 0.000 0.968 351 Y HN 0.195 nan 8.280 nan 0.000 0.504 352 A N 0.279 123.117 122.820 0.030 0.000 1.834 352 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 352 A C 2.309 179.848 177.584 -0.075 0.000 1.203 352 A CA 2.202 54.198 52.037 -0.068 0.000 0.621 352 A CB -0.805 18.183 19.000 -0.019 0.000 0.841 352 A HN 0.480 nan 8.150 nan 0.000 0.446 353 K N -0.487 119.897 120.400 -0.026 0.000 2.077 353 K HA -0.233 4.087 4.320 -0.000 0.000 0.213 353 K C 1.749 178.337 176.600 -0.021 0.000 1.051 353 K CA 1.801 58.077 56.287 -0.017 0.000 0.929 353 K CB -0.407 32.097 32.500 0.006 0.000 0.715 353 K HN 0.524 nan 8.250 nan 0.000 0.451 354 D N 0.719 121.102 120.400 -0.028 0.000 2.117 354 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 354 D C 2.008 178.267 176.300 -0.068 0.000 0.987 354 D CA 1.022 55.000 54.000 -0.036 0.000 0.829 354 D CB -0.084 40.695 40.800 -0.035 0.000 0.961 354 D HN 0.194 nan 8.370 nan 0.000 0.460 355 I N 1.095 121.579 120.570 -0.143 0.000 2.163 355 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 355 I C 2.172 178.286 176.117 -0.004 0.000 1.085 355 I CA 0.898 62.112 61.300 -0.142 0.000 1.347 355 I CB -0.193 37.661 38.000 -0.244 0.000 1.044 355 I HN -0.006 nan 8.210 nan 0.000 0.408 356 L N -0.164 121.041 121.223 -0.030 0.000 2.622 356 L HA -0.099 4.241 4.340 -0.000 0.000 0.233 356 L C 2.154 179.115 176.870 0.151 0.000 1.156 356 L CA 0.526 55.390 54.840 0.041 0.000 0.866 356 L CB -0.482 41.517 42.059 -0.100 0.000 0.980 356 L HN 0.392 nan 8.230 nan 0.000 0.448 357 Q N -0.069 119.781 119.800 0.085 0.000 2.389 357 Q HA 0.043 4.383 4.340 -0.000 0.000 0.201 357 Q C 1.439 177.475 176.000 0.060 0.000 0.956 357 Q CA 0.538 56.384 55.803 0.072 0.000 0.871 357 Q CB 0.473 29.235 28.738 0.040 0.000 0.990 357 Q HN 0.352 nan 8.270 nan 0.000 0.554 358 K N -0.285 120.146 120.400 0.050 0.000 2.374 358 K HA 0.105 4.425 4.320 -0.000 0.000 0.202 358 K C 0.693 177.359 176.600 0.110 0.000 1.040 358 K CA 0.204 56.527 56.287 0.061 0.000 1.085 358 K CB 0.924 33.456 32.500 0.053 0.000 0.873 358 K HN 0.017 nan 8.250 nan 0.000 0.539 359 E N -0.150 120.112 120.200 0.103 0.000 2.485 359 E HA 0.073 4.423 4.350 -0.000 0.000 0.213 359 E C -0.471 176.248 176.600 0.198 0.000 0.923 359 E CA -0.054 56.433 56.400 0.144 0.000 1.054 359 E CB 0.443 30.177 29.700 0.057 0.000 1.077 359 E HN 0.090 nan 8.360 nan 0.000 0.509 360 F N 1.814 121.783 119.950 0.031 0.000 2.388 360 F HA 0.357 4.884 4.527 -0.000 0.000 0.358 360 F C 0.290 176.101 175.800 0.019 0.000 1.122 360 F CA -1.039 56.980 58.000 0.031 0.000 1.056 360 F CB 0.599 39.601 39.000 0.003 0.000 1.155 360 F HN -0.164 nan 8.300 nan 0.000 0.461 361 L N 7.631 128.509 121.223 -0.574 0.000 3.608 361 L HA -0.209 4.131 4.340 -0.000 0.000 0.422 361 L C -1.603 175.088 176.870 -0.300 0.000 1.260 361 L CA 0.294 54.781 54.840 -0.588 0.000 0.889 361 L CB -1.361 40.056 42.059 -1.070 0.000 1.821 361 L HN 0.577 nan 8.230 nan 0.000 0.884 362 P HA -0.215 nan 4.420 nan 0.000 0.216 362 P C 0.856 178.125 177.300 -0.052 0.000 1.157 362 P CA 1.937 65.025 63.100 -0.020 0.000 0.880 362 P CB -0.427 31.327 31.700 0.091 0.000 0.791 363 H N -0.391 118.600 119.070 -0.132 0.000 2.801 363 H HA 0.116 4.672 4.556 -0.000 0.000 0.377 363 H C 1.497 176.710 175.328 -0.192 0.000 1.304 363 H CA 0.365 56.334 56.048 -0.132 0.000 1.451 363 H CB 0.441 30.140 29.762 -0.105 0.000 1.474 363 H HN 0.103 nan 8.280 nan 0.000 0.620 364 I N -1.713 118.644 120.570 -0.356 0.000 4.811 364 I HA -0.308 3.862 4.170 -0.000 0.000 0.040 364 I C -0.171 175.773 176.117 -0.288 0.000 0.634 364 I CA 1.375 62.433 61.300 -0.404 0.000 0.558 364 I CB -1.305 36.373 38.000 -0.537 0.000 0.550 364 I HN 0.829 nan 8.210 nan 0.000 0.153 365 T N 0.078 114.461 114.554 -0.284 0.000 2.927 365 T HA 0.277 4.627 4.350 -0.000 0.000 0.350 365 T C -0.741 173.840 174.700 -0.199 0.000 1.746 365 T CA -0.522 61.393 62.100 -0.308 0.000 1.081 365 T CB 2.099 70.612 68.868 -0.592 0.000 1.551 365 T HN 0.368 nan 8.240 nan 0.000 0.489 366 Q N 0.848 120.549 119.800 -0.165 0.000 2.214 366 Q HA 0.325 4.665 4.340 -0.000 0.000 0.229 366 Q C 1.200 177.164 176.000 -0.061 0.000 0.835 366 Q CA -0.130 55.623 55.803 -0.082 0.000 0.953 366 Q CB 0.615 29.314 28.738 -0.066 0.000 1.131 366 Q HN 0.547 nan 8.270 nan 0.000 0.501 367 L N 0.638 121.796 121.223 -0.108 0.000 2.164 367 L HA -0.165 4.175 4.340 -0.000 0.000 0.173 367 L C 1.602 178.497 176.870 0.041 0.000 0.835 367 L CA 1.262 56.075 54.840 -0.045 0.000 1.866 367 L CB -0.124 41.882 42.059 -0.087 0.000 1.765 367 L HN 0.147 nan 8.230 nan 0.000 0.580 368 E N -0.753 119.521 120.200 0.123 0.000 2.941 368 E HA 0.096 4.446 4.350 -0.000 0.000 0.180 368 E C 1.099 177.821 176.600 0.204 0.000 1.130 368 E CA 0.376 56.857 56.400 0.134 0.000 1.243 368 E CB -0.001 29.757 29.700 0.097 0.000 1.582 368 E HN 0.607 nan 8.360 nan 0.000 0.499 369 G N 0.988 109.938 108.800 0.250 0.000 3.197 369 G HA2 0.175 4.135 3.960 -0.000 0.000 0.257 369 G HA3 0.175 4.135 3.960 -0.000 0.000 0.257 369 G C -0.640 174.279 174.900 0.032 0.000 0.835 369 G CA 0.144 45.324 45.100 0.134 0.000 2.001 369 G HN 0.033 nan 8.290 nan 0.000 0.625 370 F N -0.434 119.524 119.950 0.013 0.000 2.541 370 F HA 0.298 4.825 4.527 -0.000 0.000 0.368 370 F C 0.904 176.720 175.800 0.026 0.000 1.530 370 F CA -0.813 57.195 58.000 0.013 0.000 1.102 370 F CB 1.092 40.088 39.000 -0.007 0.000 1.382 370 F HN 0.170 nan 8.300 nan 0.000 0.541 371 E N -0.346 119.924 120.200 0.117 0.000 2.285 371 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 371 E C 2.267 178.909 176.600 0.069 0.000 0.997 371 E CA 1.172 57.626 56.400 0.089 0.000 0.845 371 E CB 0.108 29.835 29.700 0.045 0.000 0.782 371 E HN 0.371 nan 8.360 nan 0.000 0.491 372 S N 0.386 116.125 115.700 0.065 0.000 2.388 372 S HA -0.041 4.429 4.470 -0.000 0.000 0.223 372 S C 1.929 176.659 174.600 0.216 0.000 1.034 372 S CA 0.187 58.433 58.200 0.077 0.000 0.963 372 S CB -0.064 63.195 63.200 0.098 0.000 0.827 372 S HN 0.071 nan 8.310 nan 0.000 0.481 373 R N 1.648 122.281 120.500 0.221 0.000 2.096 373 R HA -0.055 4.285 4.340 -0.000 0.000 0.240 373 R C 2.493 178.949 176.300 0.260 0.000 1.139 373 R CA 1.770 58.017 56.100 0.246 0.000 0.952 373 R CB -0.396 30.026 30.300 0.202 0.000 0.854 373 R HN 0.522 nan 8.270 nan 0.000 0.436 374 K N 0.169 120.684 120.400 0.192 0.000 2.062 374 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 374 K C 2.239 178.997 176.600 0.264 0.000 1.051 374 K CA 1.075 57.473 56.287 0.185 0.000 0.941 374 K CB -0.130 32.482 32.500 0.187 0.000 0.719 374 K HN 0.125 nan 8.250 nan 0.000 0.440 375 A N 1.189 124.101 122.820 0.154 0.000 1.908 375 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 375 A C 1.999 179.704 177.584 0.201 0.000 1.181 375 A CA 1.269 53.301 52.037 -0.009 0.000 0.627 375 A CB -0.856 18.052 19.000 -0.154 0.000 0.818 375 A HN 0.230 nan 8.150 nan 0.000 0.445 376 F N -1.852 118.292 119.950 0.323 0.000 2.095 376 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 376 F C 2.123 178.276 175.800 0.589 0.000 1.104 376 F CA 1.604 59.914 58.000 0.516 0.000 1.232 376 F CB -0.286 38.916 39.000 0.338 0.000 0.987 376 F HN 0.335 nan 8.300 nan 0.000 0.475 377 F N 0.199 120.491 119.950 0.569 0.000 2.075 377 F HA -0.254 4.273 4.527 -0.000 0.000 0.297 377 F C 2.217 178.295 175.800 0.463 0.000 1.113 377 F CA 1.309 59.621 58.000 0.520 0.000 1.218 377 F CB -0.643 38.537 39.000 0.299 0.000 0.984 377 F HN -0.117 nan 8.300 nan 0.000 0.472 378 L N 0.537 122.093 121.223 0.555 0.000 2.263 378 L HA -0.091 4.249 4.340 -0.000 0.000 0.216 378 L C 2.131 179.215 176.870 0.356 0.000 1.111 378 L CA 2.041 57.098 54.840 0.362 0.000 0.773 378 L CB -1.436 40.713 42.059 0.150 0.000 0.906 378 L HN 0.201 nan 8.230 nan 0.000 0.439 379 G N -1.655 107.461 108.800 0.527 0.000 2.424 379 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.214 379 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.214 379 G C 1.489 176.660 174.900 0.452 0.000 1.202 379 G CA 0.666 46.136 45.100 0.616 0.000 0.793 379 G HN 0.497 nan 8.290 nan 0.000 0.534 380 Y N 0.788 121.333 120.300 0.409 0.000 2.193 380 Y HA -0.137 4.413 4.550 -0.000 0.000 0.285 380 Y C 2.733 178.647 175.900 0.022 0.000 1.166 380 Y CA 2.106 60.338 58.100 0.220 0.000 1.181 380 Y CB -0.166 38.353 38.460 0.098 0.000 0.976 380 Y HN 0.198 nan 8.280 nan 0.000 0.520 381 M N -0.859 118.739 119.600 -0.003 0.000 2.296 381 M HA -0.144 4.336 4.480 -0.000 0.000 0.265 381 M C 1.569 177.834 176.300 -0.057 0.000 1.064 381 M CA 1.522 56.773 55.300 -0.081 0.000 1.109 381 M CB -0.125 32.540 32.600 0.107 0.000 1.396 381 M HN 0.348 nan 8.290 nan 0.000 0.430 382 I N -1.014 119.573 120.570 0.028 0.000 3.030 382 I HA -0.149 4.021 4.170 -0.000 0.000 0.270 382 I C 1.823 177.906 176.117 -0.057 0.000 1.211 382 I CA 0.472 61.790 61.300 0.029 0.000 1.479 382 I CB -0.471 37.604 38.000 0.124 0.000 1.105 382 I HN 0.331 nan 8.210 nan 0.000 0.447 383 N N 1.205 119.839 118.700 -0.111 0.000 2.109 383 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 383 N C 2.039 177.417 175.510 -0.220 0.000 1.034 383 N CA 1.189 54.133 53.050 -0.177 0.000 0.846 383 N CB 0.161 38.524 38.487 -0.207 0.000 1.010 383 N HN -0.024 nan 8.380 nan 0.000 0.425 384 R N 0.471 120.765 120.500 -0.343 0.000 2.120 384 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 384 R C 2.086 178.261 176.300 -0.208 0.000 1.123 384 R CA 0.500 56.404 56.100 -0.327 0.000 0.975 384 R CB -1.498 28.516 30.300 -0.476 0.000 0.866 384 R HN 0.358 nan 8.270 nan 0.000 0.446 385 L N 0.904 122.025 121.223 -0.170 0.000 1.989 385 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 385 L C 2.151 178.933 176.870 -0.148 0.000 1.071 385 L CA 1.660 56.432 54.840 -0.114 0.000 0.749 385 L CB -0.444 41.583 42.059 -0.053 0.000 0.890 385 L HN 0.063 nan 8.230 nan 0.000 0.431 386 L N -1.562 119.576 121.223 -0.141 0.000 2.093 386 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 386 L C 2.524 179.290 176.870 -0.173 0.000 1.085 386 L CA 0.531 55.274 54.840 -0.162 0.000 0.755 386 L CB -0.683 41.301 42.059 -0.124 0.000 0.904 386 L HN 0.291 nan 8.230 nan 0.000 0.435 387 L N -0.136 120.997 121.223 -0.148 0.000 2.043 387 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 387 L C 2.743 179.541 176.870 -0.120 0.000 1.075 387 L CA 1.731 56.497 54.840 -0.124 0.000 0.752 387 L CB -1.057 40.936 42.059 -0.110 0.000 0.891 387 L HN 0.411 nan 8.230 nan 0.000 0.432 388 C N -1.201 118.021 119.300 -0.129 0.000 2.446 388 C HA 0.048 4.508 4.460 -0.000 0.000 0.279 388 C C 2.759 177.637 174.990 -0.187 0.000 1.366 388 C CA 0.550 59.514 59.018 -0.090 0.000 1.763 388 C CB -1.110 26.615 27.740 -0.026 0.000 1.929 388 C HN 0.529 nan 8.230 nan 0.000 0.509 389 A N -0.620 121.939 122.820 -0.436 0.000 2.178 389 A HA 0.305 4.625 4.320 -0.000 0.000 0.211 389 A C 1.705 179.139 177.584 -0.250 0.000 1.157 389 A CA 0.622 52.234 52.037 -0.707 0.000 0.780 389 A CB -0.302 18.233 19.000 -0.774 0.000 0.828 389 A HN 0.619 nan 8.150 nan 0.000 0.476 390 L N -0.795 120.325 121.223 -0.172 0.000 2.667 390 L HA 0.149 4.489 4.340 -0.000 0.000 0.232 390 L C -0.390 176.438 176.870 -0.070 0.000 1.138 390 L CA -0.104 54.668 54.840 -0.114 0.000 0.921 390 L CB 0.006 41.985 42.059 -0.134 0.000 1.180 390 L HN 0.200 nan 8.230 nan 0.000 0.487 391 D N 0.141 120.514 120.400 -0.044 0.000 2.837 391 D HA -0.221 4.419 4.640 -0.000 0.000 0.230 391 D C 1.251 177.536 176.300 -0.025 0.000 1.152 391 D CA 0.725 54.718 54.000 -0.012 0.000 0.736 391 D CB -0.652 40.149 40.800 0.002 0.000 1.084 391 D HN 0.316 nan 8.370 nan 0.000 0.429 392 R N -0.422 120.052 120.500 -0.043 0.000 2.237 392 R HA 0.189 4.529 4.340 -0.000 0.000 0.195 392 R C 0.423 176.706 176.300 -0.028 0.000 0.956 392 R CA 0.454 56.529 56.100 -0.042 0.000 1.029 392 R CB 0.620 30.884 30.300 -0.061 0.000 0.972 392 R HN 0.060 nan 8.270 nan 0.000 0.493 393 K N 0.649 121.033 120.400 -0.026 0.000 2.525 393 K HA 0.181 4.501 4.320 -0.000 0.000 0.254 393 K C -1.346 175.256 176.600 0.004 0.000 0.934 393 K CA -0.684 55.594 56.287 -0.015 0.000 0.802 393 K CB 2.433 34.913 32.500 -0.032 0.000 1.295 393 K HN -0.101 nan 8.250 nan 0.000 0.433 394 D N 1.687 122.099 120.400 0.019 0.000 2.335 394 D HA -0.075 4.565 4.640 -0.000 0.000 0.236 394 D C 0.204 176.536 176.300 0.054 0.000 1.297 394 D CA 0.458 54.483 54.000 0.041 0.000 0.906 394 D CB 0.728 41.554 40.800 0.044 0.000 1.164 394 D HN 0.384 nan 8.370 nan 0.000 0.469 395 Q N 0.110 119.962 119.800 0.086 0.000 2.382 395 Q HA 0.028 4.368 4.340 -0.000 0.000 0.229 395 Q C -0.610 175.467 176.000 0.130 0.000 1.006 395 Q CA -0.318 55.563 55.803 0.130 0.000 0.916 395 Q CB 0.761 29.599 28.738 0.167 0.000 1.235 395 Q HN 0.289 nan 8.270 nan 0.000 0.512 396 D N 1.928 122.420 120.400 0.153 0.000 2.312 396 D HA -0.011 4.629 4.640 -0.000 0.000 0.252 396 D C -0.883 175.593 176.300 0.295 0.000 1.150 396 D CA 0.040 54.118 54.000 0.131 0.000 0.870 396 D CB 0.804 41.544 40.800 -0.100 0.000 1.153 396 D HN 0.450 nan 8.370 nan 0.000 0.457 397 D N 2.807 123.321 120.400 0.191 0.000 2.367 397 D HA -0.013 4.627 4.640 -0.000 0.000 0.255 397 D C 1.218 177.616 176.300 0.163 0.000 1.300 397 D CA -0.012 54.089 54.000 0.168 0.000 0.959 397 D CB 0.295 41.193 40.800 0.163 0.000 1.064 397 D HN 0.294 nan 8.370 nan 0.000 0.509 398 R N 2.017 122.608 120.500 0.152 0.000 2.200 398 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 398 R C 0.477 176.788 176.300 0.019 0.000 1.127 398 R CA 0.902 57.069 56.100 0.113 0.000 0.989 398 R CB 0.238 30.544 30.300 0.010 0.000 0.869 398 R HN 0.407 nan 8.270 nan 0.000 0.459 399 D N -0.385 119.964 120.400 -0.085 0.000 2.328 399 D HA -0.039 4.601 4.640 -0.000 0.000 0.221 399 D C 0.107 176.157 176.300 -0.415 0.000 1.072 399 D CA 0.232 54.050 54.000 -0.304 0.000 0.850 399 D CB -0.070 40.416 40.800 -0.524 0.000 0.922 399 D HN 0.174 nan 8.370 nan 0.000 0.516 400 H N 0.599 119.572 119.070 -0.161 0.000 2.929 400 H HA -0.079 4.477 4.556 -0.000 0.000 0.317 400 H C 0.623 176.000 175.328 0.081 0.000 1.031 400 H CA 0.006 56.057 56.048 0.006 0.000 1.466 400 H CB 0.480 30.276 29.762 0.057 0.000 1.482 400 H HN -0.045 nan 8.280 nan 0.000 0.561 401 F N 3.942 123.954 119.950 0.104 0.000 2.234 401 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 401 F C 2.312 178.212 175.800 0.168 0.000 1.087 401 F CA 1.446 59.522 58.000 0.127 0.000 1.340 401 F CB -0.384 38.706 39.000 0.149 0.000 1.031 401 F HN 0.711 nan 8.300 nan 0.000 0.500 402 G N -0.463 108.581 108.800 0.407 0.000 2.535 402 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 402 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 402 G C 1.388 176.224 174.900 -0.107 0.000 1.122 402 G CA 0.287 45.452 45.100 0.108 0.000 0.769 402 G HN 0.312 nan 8.290 nan 0.000 0.549 403 K N 0.247 120.618 120.400 -0.050 0.000 2.576 403 K HA 0.213 4.533 4.320 -0.000 0.000 0.209 403 K C -0.173 176.361 176.600 -0.112 0.000 1.049 403 K CA 0.050 56.268 56.287 -0.115 0.000 1.140 403 K CB 0.394 32.858 32.500 -0.060 0.000 0.871 403 K HN 0.238 nan 8.250 nan 0.000 0.479 404 K N 0.317 120.606 120.400 -0.185 0.000 2.508 404 K HA 0.463 4.783 4.320 -0.000 0.000 0.260 404 K C -0.403 176.015 176.600 -0.303 0.000 0.949 404 K CA -1.182 54.983 56.287 -0.203 0.000 0.834 404 K CB 1.944 34.346 32.500 -0.164 0.000 1.365 404 K HN -0.191 nan 8.250 nan 0.000 0.437 405 R N 0.498 120.864 120.500 -0.223 0.000 3.228 405 R HA 0.639 4.979 4.340 -0.000 0.000 0.229 405 R C -0.642 175.554 176.300 -0.173 0.000 1.583 405 R CA -0.958 55.018 56.100 -0.207 0.000 1.035 405 R CB 0.273 30.489 30.300 -0.140 0.000 1.696 405 R HN 0.543 nan 8.270 nan 0.000 0.523 406 L N 1.746 122.894 121.223 -0.125 0.000 2.661 406 L HA 0.240 4.580 4.340 -0.000 0.000 0.263 406 L C -1.409 175.416 176.870 -0.076 0.000 0.956 406 L CA -0.636 54.148 54.840 -0.094 0.000 0.918 406 L CB 2.397 44.403 42.059 -0.088 0.000 1.280 406 L HN 0.383 nan 8.230 nan 0.000 0.416 407 D N 3.824 124.178 120.400 -0.076 0.000 2.352 407 D HA 0.315 4.955 4.640 -0.000 0.000 0.245 407 D C 0.009 176.260 176.300 -0.082 0.000 1.224 407 D CA -0.161 53.797 54.000 -0.071 0.000 0.879 407 D CB 2.099 42.851 40.800 -0.081 0.000 1.057 407 D HN 0.087 nan 8.370 nan 0.000 0.491 408 L N 1.553 122.744 121.223 -0.054 0.000 2.472 408 L HA 0.359 4.699 4.340 -0.000 0.000 0.256 408 L C 1.821 178.675 176.870 -0.027 0.000 1.111 408 L CA -0.208 54.604 54.840 -0.046 0.000 0.800 408 L CB 0.410 42.454 42.059 -0.026 0.000 1.286 408 L HN 0.412 nan 8.230 nan 0.000 0.479 409 A N 0.871 123.696 122.820 0.007 0.000 1.882 409 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 409 A C 1.974 179.589 177.584 0.052 0.000 1.253 409 A CA 2.638 54.722 52.037 0.080 0.000 0.664 409 A CB -1.812 17.282 19.000 0.156 0.000 0.838 409 A HN 0.929 nan 8.150 nan 0.000 0.460 410 G N -0.080 108.774 108.800 0.090 0.000 2.863 410 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 410 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 410 G C -0.205 174.647 174.900 -0.079 0.000 1.315 410 G CA 1.561 46.673 45.100 0.021 0.000 0.796 410 G HN 0.478 nan 8.290 nan 0.000 0.669 411 P HA -0.116 nan 4.420 nan 0.000 0.218 411 P C 1.971 179.311 177.300 0.067 0.000 1.147 411 P CA 1.006 64.144 63.100 0.064 0.000 0.827 411 P CB -0.134 31.592 31.700 0.044 0.000 0.778 412 L N -2.084 119.165 121.223 0.042 0.000 2.068 412 L HA -0.109 4.231 4.340 -0.000 0.000 0.204 412 L C 2.450 179.526 176.870 0.343 0.000 1.076 412 L CA 1.090 56.042 54.840 0.187 0.000 0.753 412 L CB -0.905 41.146 42.059 -0.013 0.000 0.910 412 L HN -0.054 nan 8.230 nan 0.000 0.439 413 L N -0.218 121.006 121.223 0.002 0.000 2.079 413 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 413 L C 2.880 179.683 176.870 -0.111 0.000 1.081 413 L CA 1.196 55.884 54.840 -0.252 0.000 0.752 413 L CB -0.734 40.748 42.059 -0.963 0.000 0.896 413 L HN 0.280 nan 8.230 nan 0.000 0.433 414 A N -0.683 122.105 122.820 -0.053 0.000 1.902 414 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 414 A C 2.208 179.967 177.584 0.292 0.000 1.181 414 A CA 1.550 53.816 52.037 0.383 0.000 0.623 414 A CB -0.521 18.695 19.000 0.360 0.000 0.818 414 A HN 0.449 nan 8.150 nan 0.000 0.443 415 Q N -0.705 119.239 119.800 0.241 0.000 2.112 415 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 415 Q C 2.103 178.217 176.000 0.191 0.000 0.987 415 Q CA 1.657 57.603 55.803 0.237 0.000 0.858 415 Q CB -0.290 28.638 28.738 0.316 0.000 0.905 415 Q HN 0.720 nan 8.270 nan 0.000 0.420 416 L N -1.072 120.235 121.223 0.140 0.000 2.013 416 L HA -0.129 4.211 4.340 -0.000 0.000 0.204 416 L C 2.189 179.122 176.870 0.106 0.000 1.081 416 L CA 0.736 55.579 54.840 0.005 0.000 0.751 416 L CB -0.596 41.342 42.059 -0.201 0.000 0.901 416 L HN 0.169 nan 8.230 nan 0.000 0.440 417 F N 1.084 121.074 119.950 0.067 0.000 2.079 417 F HA -0.405 4.122 4.527 -0.000 0.000 0.296 417 F C 2.514 178.388 175.800 0.122 0.000 1.084 417 F CA 1.950 60.016 58.000 0.110 0.000 1.236 417 F CB -0.093 39.047 39.000 0.234 0.000 0.984 417 F HN -0.040 nan 8.300 nan 0.000 0.488 418 K N -0.847 119.757 120.400 0.341 0.000 1.965 418 K HA -0.155 4.165 4.320 -0.000 0.000 0.214 418 K C 1.913 178.588 176.600 0.126 0.000 1.046 418 K CA 2.041 58.484 56.287 0.260 0.000 0.944 418 K CB -1.005 31.624 32.500 0.215 0.000 0.726 418 K HN 0.126 nan 8.250 nan 0.000 0.441 419 T N 2.090 116.700 114.554 0.094 0.000 2.792 419 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 419 T C 1.723 176.413 174.700 -0.017 0.000 1.059 419 T CA 1.240 63.363 62.100 0.039 0.000 1.136 419 T CB -0.140 68.751 68.868 0.039 0.000 0.846 419 T HN 0.139 nan 8.240 nan 0.000 0.489 420 L N -1.128 120.064 121.223 -0.051 0.000 2.221 420 L HA 0.202 4.542 4.340 -0.000 0.000 0.202 420 L C 2.105 178.894 176.870 -0.134 0.000 1.074 420 L CA 0.503 55.271 54.840 -0.120 0.000 0.795 420 L CB -0.356 41.590 42.059 -0.189 0.000 0.960 420 L HN 0.169 nan 8.230 nan 0.000 0.458 421 F N 1.343 121.071 119.950 -0.371 0.000 2.333 421 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 421 F C 2.258 177.925 175.800 -0.221 0.000 1.083 421 F CA 1.307 59.074 58.000 -0.389 0.000 1.395 421 F CB -0.197 38.554 39.000 -0.415 0.000 1.056 421 F HN -0.120 nan 8.300 nan 0.000 0.529 422 K N 0.410 120.691 120.400 -0.198 0.000 1.984 422 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 422 K C 2.111 178.587 176.600 -0.206 0.000 1.046 422 K CA 1.562 57.708 56.287 -0.235 0.000 0.934 422 K CB -0.151 32.294 32.500 -0.092 0.000 0.717 422 K HN 0.146 nan 8.250 nan 0.000 0.438 423 K N 0.690 121.013 120.400 -0.129 0.000 2.173 423 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 423 K C 2.075 178.613 176.600 -0.104 0.000 1.046 423 K CA 1.117 57.349 56.287 -0.093 0.000 0.929 423 K CB -0.208 32.249 32.500 -0.071 0.000 0.720 423 K HN 0.047 nan 8.250 nan 0.000 0.453 424 L N 1.117 122.244 121.223 -0.160 0.000 1.973 424 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 424 L C 2.111 178.902 176.870 -0.132 0.000 1.073 424 L CA 1.952 56.710 54.840 -0.137 0.000 0.746 424 L CB -0.940 41.030 42.059 -0.150 0.000 0.891 424 L HN 0.107 nan 8.230 nan 0.000 0.433 425 T N 0.740 115.116 114.554 -0.297 0.000 2.505 425 T HA -0.345 4.005 4.350 -0.000 0.000 0.259 425 T C 1.687 176.373 174.700 -0.023 0.000 1.158 425 T CA 2.521 64.505 62.100 -0.193 0.000 1.190 425 T CB -0.549 68.098 68.868 -0.367 0.000 0.864 425 T HN 0.554 nan 8.240 nan 0.000 0.413 426 K N 1.029 121.395 120.400 -0.056 0.000 2.218 426 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 426 K C 1.690 178.356 176.600 0.110 0.000 1.046 426 K CA 1.948 58.255 56.287 0.032 0.000 0.933 426 K CB -0.200 32.292 32.500 -0.014 0.000 0.728 426 K HN 0.266 nan 8.250 nan 0.000 0.454 427 D N 1.009 121.443 120.400 0.058 0.000 2.194 427 D HA 0.015 4.655 4.640 -0.000 0.000 0.204 427 D C 1.971 178.345 176.300 0.123 0.000 0.964 427 D CA 0.781 54.826 54.000 0.075 0.000 0.846 427 D CB 0.076 40.892 40.800 0.026 0.000 0.962 427 D HN 0.304 nan 8.370 nan 0.000 0.490 428 I N 0.191 120.838 120.570 0.129 0.000 2.353 428 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 428 I C 2.178 178.448 176.117 0.255 0.000 1.119 428 I CA 0.380 61.779 61.300 0.166 0.000 1.417 428 I CB -0.095 38.000 38.000 0.158 0.000 1.078 428 I HN -0.099 nan 8.210 nan 0.000 0.421 429 F N 2.214 122.213 119.950 0.082 0.000 2.046 429 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 429 F C 2.693 178.538 175.800 0.075 0.000 1.123 429 F CA 1.707 59.748 58.000 0.068 0.000 1.199 429 F CB -0.418 38.603 39.000 0.035 0.000 0.972 429 F HN -0.140 nan 8.300 nan 0.000 0.474 430 R N -1.299 119.314 120.500 0.189 0.000 2.133 430 R HA -0.293 4.047 4.340 -0.000 0.000 0.247 430 R C 2.162 178.478 176.300 0.027 0.000 1.151 430 R CA 2.003 58.145 56.100 0.069 0.000 0.971 430 R CB -1.199 29.168 30.300 0.111 0.000 0.866 430 R HN 0.458 nan 8.270 nan 0.000 0.447 431 Y N 1.438 121.720 120.300 -0.030 0.000 2.081 431 Y HA -0.279 4.271 4.550 -0.000 0.000 0.280 431 Y C 2.216 178.066 175.900 -0.083 0.000 1.163 431 Y CA 1.925 60.003 58.100 -0.037 0.000 1.135 431 Y CB -0.269 38.186 38.460 -0.008 0.000 0.970 431 Y HN -0.054 nan 8.280 nan 0.000 0.498 432 M N -0.309 119.216 119.600 -0.125 0.000 2.132 432 M HA -0.256 4.223 4.480 -0.000 0.000 0.263 432 M C 2.207 178.317 176.300 -0.317 0.000 1.065 432 M CA 1.879 57.024 55.300 -0.258 0.000 1.122 432 M CB -0.579 31.914 32.600 -0.178 0.000 1.365 432 M HN 0.289 nan 8.290 nan 0.000 0.411 433 Q N 0.462 120.036 119.800 -0.377 0.000 2.197 433 Q HA -0.160 4.180 4.340 -0.000 0.000 0.207 433 Q C 1.542 177.416 176.000 -0.210 0.000 0.984 433 Q CA 1.353 56.963 55.803 -0.322 0.000 0.869 433 Q CB -0.164 28.391 28.738 -0.305 0.000 0.906 433 Q HN 0.526 nan 8.270 nan 0.000 0.426 434 R N -0.336 120.041 120.500 -0.205 0.000 2.356 434 R HA 0.089 4.429 4.340 -0.000 0.000 0.234 434 R C -0.008 176.157 176.300 -0.225 0.000 0.929 434 R CA 0.238 56.235 56.100 -0.172 0.000 1.084 434 R CB 0.675 30.897 30.300 -0.129 0.000 1.105 434 R HN -0.089 nan 8.270 nan 0.000 0.515 435 T N 0.728 115.116 114.554 -0.278 0.000 3.390 435 T HA 0.144 4.494 4.350 -0.000 0.000 0.351 435 T C 1.328 175.914 174.700 -0.191 0.000 1.759 435 T CA -0.289 61.638 62.100 -0.289 0.000 1.561 435 T CB 1.050 69.642 68.868 -0.460 0.000 1.011 435 T HN -0.150 nan 8.240 nan 0.000 0.689 436 V N 1.203 121.032 119.914 -0.142 0.000 2.220 436 V HA -0.145 3.975 4.120 -0.000 0.000 0.242 436 V C 1.420 177.462 176.094 -0.087 0.000 1.041 436 V CA 1.248 63.486 62.300 -0.103 0.000 0.990 436 V CB -0.638 31.137 31.823 -0.079 0.000 0.634 436 V HN 0.813 nan 8.190 nan 0.000 0.452 447 A N -0.212 122.453 122.820 -0.258 0.000 3.629 447 A HA -0.086 4.234 4.320 -0.000 0.000 0.224 447 A C 0.161 177.528 177.584 -0.362 0.000 1.104 447 A CA 0.726 52.414 52.037 -0.582 0.000 1.660 447 A CB -1.998 16.105 19.000 -1.495 0.000 0.911 447 A HN 0.447 nan 8.150 nan 0.000 0.805 448 I N 1.494 121.964 120.570 -0.167 0.000 2.325 448 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 448 I C 0.433 176.536 176.117 -0.022 0.000 1.019 448 I CA -0.405 60.857 61.300 -0.064 0.000 1.302 448 I CB 1.129 39.133 38.000 0.007 0.000 1.401 448 I HN 0.353 nan 8.210 nan 0.000 0.485 449 N N 5.390 124.077 118.700 -0.021 0.000 2.868 449 N HA 0.260 5.000 4.740 -0.000 0.000 0.252 449 N C 0.975 176.486 175.510 0.002 0.000 1.130 449 N CA -0.061 52.988 53.050 -0.000 0.000 1.026 449 N CB 0.951 39.435 38.487 -0.006 0.000 1.335 449 N HN 0.710 nan 8.380 nan 0.000 0.516 450 A N 2.882 125.724 122.820 0.037 0.000 2.139 450 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 450 A C 2.167 179.755 177.584 0.007 0.000 1.159 450 A CA 1.069 53.111 52.037 0.009 0.000 0.662 450 A CB -0.411 18.691 19.000 0.169 0.000 0.796 450 A HN 0.576 nan 8.150 nan 0.000 0.463 451 K N 0.061 120.481 120.400 0.032 0.000 2.147 451 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 451 K C 1.639 178.229 176.600 -0.017 0.000 1.049 451 K CA 1.932 58.232 56.287 0.021 0.000 0.936 451 K CB -0.726 31.792 32.500 0.030 0.000 0.722 451 K HN 0.428 nan 8.250 nan 0.000 0.446 452 T N 1.873 116.406 114.554 -0.035 0.000 2.699 452 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 452 T C 2.015 176.662 174.700 -0.088 0.000 1.036 452 T CA 1.568 63.633 62.100 -0.058 0.000 1.147 452 T CB -0.034 68.795 68.868 -0.064 0.000 0.862 452 T HN 0.204 nan 8.240 nan 0.000 0.446 453 I N 0.397 120.897 120.570 -0.116 0.000 2.296 453 I HA -0.110 4.060 4.170 -0.000 0.000 0.242 453 I C 2.759 178.811 176.117 -0.109 0.000 1.087 453 I CA 0.984 62.185 61.300 -0.164 0.000 1.393 453 I CB -0.489 37.363 38.000 -0.247 0.000 1.093 453 I HN 0.215 nan 8.210 nan 0.000 0.421 454 T N 0.563 115.071 114.554 -0.076 0.000 2.635 454 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 454 T C 1.985 176.674 174.700 -0.018 0.000 1.040 454 T CA 2.208 64.292 62.100 -0.026 0.000 1.156 454 T CB -0.349 68.535 68.868 0.027 0.000 0.863 454 T HN 0.487 nan 8.240 nan 0.000 0.430 455 S N 0.921 116.613 115.700 -0.013 0.000 2.453 455 S HA 0.067 4.537 4.470 -0.000 0.000 0.231 455 S C 2.286 176.881 174.600 -0.007 0.000 1.005 455 S CA 1.136 59.336 58.200 -0.001 0.000 0.949 455 S CB -0.782 62.419 63.200 0.001 0.000 0.774 455 S HN 0.514 nan 8.310 nan 0.000 0.510 456 G N 2.557 111.331 108.800 -0.044 0.000 2.453 456 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.215 456 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.215 456 G C 1.444 176.292 174.900 -0.086 0.000 1.201 456 G CA 1.013 46.076 45.100 -0.063 0.000 0.784 456 G HN 0.505 nan 8.290 nan 0.000 0.545 457 L N 0.035 121.190 121.223 -0.114 0.000 2.042 457 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 457 L C 2.973 179.746 176.870 -0.161 0.000 1.076 457 L CA 1.477 56.216 54.840 -0.168 0.000 0.749 457 L CB -0.485 41.508 42.059 -0.109 0.000 0.893 457 L HN 0.209 nan 8.230 nan 0.000 0.432 458 K N -0.462 119.894 120.400 -0.075 0.000 1.978 458 K HA -0.263 4.057 4.320 -0.000 0.000 0.214 458 K C 2.182 178.750 176.600 -0.053 0.000 1.049 458 K CA 1.949 58.209 56.287 -0.045 0.000 0.939 458 K CB -0.524 31.982 32.500 0.009 0.000 0.721 458 K HN 0.104 nan 8.250 nan 0.000 0.441 459 Y N 1.211 121.455 120.300 -0.093 0.000 2.271 459 Y HA -0.347 4.203 4.550 -0.000 0.000 0.284 459 Y C 1.826 177.666 175.900 -0.100 0.000 1.189 459 Y CA 1.420 59.472 58.100 -0.080 0.000 1.229 459 Y CB -0.317 38.094 38.460 -0.081 0.000 0.973 459 Y HN 0.143 nan 8.280 nan 0.000 0.537 460 A N -0.768 121.840 122.820 -0.354 0.000 1.864 460 A HA -0.004 4.316 4.320 -0.000 0.000 0.213 460 A C 1.933 179.385 177.584 -0.220 0.000 1.266 460 A CA 1.043 52.785 52.037 -0.492 0.000 0.612 460 A CB -1.122 17.297 19.000 -0.969 0.000 0.940 460 A HN 0.315 nan 8.150 nan 0.000 0.463 461 L N 0.079 121.188 121.223 -0.190 0.000 2.263 461 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 461 L C 2.702 179.573 176.870 0.003 0.000 1.111 461 L CA 1.813 56.642 54.840 -0.018 0.000 0.773 461 L CB -0.785 41.194 42.059 -0.134 0.000 0.906 461 L HN 0.464 nan 8.230 nan 0.000 0.439 462 A N -2.529 120.247 122.820 -0.072 0.000 1.943 462 A HA -0.023 4.297 4.320 -0.000 0.000 0.213 462 A C 2.247 179.780 177.584 -0.085 0.000 1.181 462 A CA 1.562 53.567 52.037 -0.054 0.000 0.653 462 A CB -0.356 18.616 19.000 -0.047 0.000 0.833 462 A HN 0.384 nan 8.150 nan 0.000 0.451 463 T N -1.828 112.599 114.554 -0.211 0.000 3.004 463 T HA 0.392 4.742 4.350 -0.000 0.000 0.243 463 T C 1.393 176.048 174.700 -0.074 0.000 1.020 463 T CA 1.110 63.081 62.100 -0.216 0.000 1.145 463 T CB 0.215 68.754 68.868 -0.549 0.000 0.876 463 T HN 1.371 nan 8.240 nan 0.000 0.449 464 G N 1.983 110.790 108.800 0.011 0.000 2.138 464 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.193 464 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.193 464 G C -0.057 174.950 174.900 0.178 0.000 0.998 464 G CA -0.466 44.721 45.100 0.144 0.000 0.668 464 G HN 0.410 nan 8.290 nan 0.000 0.516 465 N N 0.641 119.411 118.700 0.118 0.000 3.044 465 N HA 0.196 4.936 4.740 -0.000 0.000 0.254 465 N C 1.142 176.801 175.510 0.249 0.000 1.253 465 N CA -0.499 52.642 53.050 0.150 0.000 0.944 465 N CB 0.179 38.712 38.487 0.077 0.000 1.217 465 N HN 0.488 nan 8.380 nan 0.000 0.498 466 W N 1.673 122.964 121.300 -0.015 0.000 2.322 466 W HA -0.133 4.527 4.660 -0.000 0.000 0.326 466 W C 1.150 177.698 176.519 0.049 0.000 1.224 466 W CA 1.612 58.963 57.345 0.011 0.000 1.257 466 W CB 0.096 29.557 29.460 0.002 0.000 1.174 466 W HN 0.427 nan 8.180 nan 0.000 0.460 478 G N -0.912 107.891 108.800 0.006 0.000 2.218 478 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 478 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 478 G C 0.423 175.296 174.900 -0.044 0.000 0.994 478 G CA 0.282 45.376 45.100 -0.011 0.000 0.637 478 G HN 1.328 nan 8.290 nan 0.000 0.505 479 V N 1.026 120.873 119.914 -0.111 0.000 3.432 479 V HA 0.523 4.643 4.120 -0.000 0.000 0.304 479 V C 1.570 177.602 176.094 -0.102 0.000 1.107 479 V CA 0.948 63.113 62.300 -0.225 0.000 1.153 479 V CB 1.151 32.611 31.823 -0.605 0.000 1.072 479 V HN 2.025 nan 8.190 nan 0.000 0.485 480 S N 1.562 117.202 115.700 -0.101 0.000 3.394 480 S HA -0.167 4.303 4.470 -0.000 0.000 0.490 480 S C -0.483 174.141 174.600 0.041 0.000 0.702 480 S CA 0.751 58.966 58.200 0.025 0.000 1.358 480 S CB -0.713 62.580 63.200 0.155 0.000 1.128 480 S HN 0.814 nan 8.310 nan 0.000 0.775 481 Q N 2.665 122.486 119.800 0.035 0.000 2.399 481 Q HA 0.645 4.985 4.340 -0.000 0.000 0.276 481 Q C -0.310 175.745 176.000 0.092 0.000 1.098 481 Q CA -1.227 54.627 55.803 0.085 0.000 0.827 481 Q CB 1.663 30.500 28.738 0.166 0.000 1.386 481 Q HN 0.437 nan 8.270 nan 0.000 0.443 482 V N 2.388 122.360 119.914 0.097 0.000 2.425 482 V HA -0.049 4.071 4.120 -0.000 0.000 0.276 482 V C 0.290 176.437 176.094 0.089 0.000 1.017 482 V CA -0.106 62.231 62.300 0.061 0.000 1.062 482 V CB -0.611 31.231 31.823 0.031 0.000 0.997 482 V HN 0.568 nan 8.190 nan 0.000 0.476 483 L N 5.518 126.749 121.223 0.012 0.000 2.605 483 L HA -0.018 4.322 4.340 -0.000 0.000 0.296 483 L C 0.479 177.357 176.870 0.013 0.000 1.255 483 L CA 0.844 55.690 54.840 0.009 0.000 0.879 483 L CB -0.225 41.668 42.059 -0.276 0.000 1.124 483 L HN 0.740 nan 8.230 nan 0.000 0.507 484 N N 2.401 121.185 118.700 0.140 0.000 2.530 484 N HA 0.374 5.114 4.740 -0.000 0.000 0.273 484 N C -0.209 175.175 175.510 -0.210 0.000 1.173 484 N CA 0.002 53.024 53.050 -0.048 0.000 0.967 484 N CB 0.556 39.068 38.487 0.041 0.000 1.109 484 N HN 0.484 nan 8.380 nan 0.000 0.453 485 R N 1.658 121.832 120.500 -0.544 0.000 2.617 485 R HA 0.233 4.573 4.340 -0.000 0.000 0.432 485 R C -0.301 175.577 176.300 -0.703 0.000 1.018 485 R CA -0.080 55.711 56.100 -0.515 0.000 1.077 485 R CB -0.243 29.726 30.300 -0.551 0.000 1.394 485 R HN 0.632 nan 8.270 nan 0.000 0.608 486 Y N -2.032 118.138 120.300 -0.216 0.000 2.269 486 Y HA 0.305 4.855 4.550 -0.000 0.000 0.294 486 Y C 0.798 176.665 175.900 -0.056 0.000 1.120 486 Y CA 0.463 58.448 58.100 -0.191 0.000 1.159 486 Y CB 0.541 38.916 38.460 -0.140 0.000 1.024 486 Y HN -0.212 nan 8.280 nan 0.000 0.532 487 T N -1.003 113.663 114.554 0.186 0.000 2.912 487 T HA 0.116 4.466 4.350 -0.000 0.000 0.299 487 T C -0.139 174.677 174.700 0.193 0.000 1.052 487 T CA -0.722 61.491 62.100 0.188 0.000 0.996 487 T CB 1.347 70.303 68.868 0.147 0.000 1.070 487 T HN 0.101 nan 8.240 nan 0.000 0.465 488 Y N 2.974 123.317 120.300 0.072 0.000 2.173 488 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 488 Y C 2.550 178.489 175.900 0.064 0.000 1.192 488 Y CA 2.536 60.661 58.100 0.040 0.000 1.176 488 Y CB -0.256 38.164 38.460 -0.067 0.000 0.969 488 Y HN 0.677 nan 8.280 nan 0.000 0.519 489 S N -1.537 114.191 115.700 0.045 0.000 2.436 489 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 489 S C 2.257 176.846 174.600 -0.019 0.000 1.014 489 S CA 0.794 58.992 58.200 -0.003 0.000 0.950 489 S CB -1.008 62.286 63.200 0.157 0.000 0.784 489 S HN 0.577 nan 8.310 nan 0.000 0.504 490 S N 2.123 117.841 115.700 0.031 0.000 2.356 490 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 490 S C 1.924 176.532 174.600 0.014 0.000 1.032 490 S CA 1.809 60.034 58.200 0.042 0.000 1.005 490 S CB -1.695 61.584 63.200 0.132 0.000 0.867 490 S HN 0.570 nan 8.310 nan 0.000 0.449 491 T N 3.205 117.743 114.554 -0.027 0.000 2.684 491 T HA 0.018 4.368 4.350 -0.000 0.000 0.267 491 T C 1.785 176.431 174.700 -0.090 0.000 1.036 491 T CA 1.683 63.746 62.100 -0.062 0.000 1.148 491 T CB -0.626 68.178 68.868 -0.107 0.000 0.863 491 T HN 0.339 nan 8.240 nan 0.000 0.436 492 L N 0.722 121.833 121.223 -0.187 0.000 1.989 492 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 492 L C 2.904 179.743 176.870 -0.052 0.000 1.071 492 L CA 1.295 56.044 54.840 -0.153 0.000 0.749 492 L CB -0.721 41.215 42.059 -0.205 0.000 0.890 492 L HN 0.259 nan 8.230 nan 0.000 0.431 493 S N -1.536 114.146 115.700 -0.030 0.000 2.400 493 S HA -0.266 4.204 4.470 -0.000 0.000 0.232 493 S C 1.968 176.609 174.600 0.067 0.000 1.025 493 S CA 1.305 59.508 58.200 0.006 0.000 0.993 493 S CB -0.369 62.830 63.200 -0.002 0.000 0.808 493 S HN 0.508 nan 8.310 nan 0.000 0.478 494 H N -0.006 119.033 119.070 -0.052 0.000 2.363 494 H HA 0.105 4.661 4.556 -0.000 0.000 0.301 494 H C 1.953 177.252 175.328 -0.049 0.000 1.074 494 H CA 1.270 57.290 56.048 -0.046 0.000 1.354 494 H CB -0.049 29.683 29.762 -0.049 0.000 1.397 494 H HN 0.326 nan 8.280 nan 0.000 0.516 495 L N 0.314 121.536 121.223 -0.002 0.000 2.265 495 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 495 L C 1.642 178.482 176.870 -0.051 0.000 1.117 495 L CA 0.922 55.716 54.840 -0.076 0.000 0.782 495 L CB -0.095 41.933 42.059 -0.051 0.000 0.914 495 L HN 0.209 nan 8.230 nan 0.000 0.441 496 R N -0.300 120.189 120.500 -0.018 0.000 2.586 496 R HA 0.151 4.491 4.340 -0.000 0.000 0.306 496 R C 0.370 176.662 176.300 -0.012 0.000 1.079 496 R CA -0.244 55.844 56.100 -0.020 0.000 1.083 496 R CB 0.319 30.611 30.300 -0.014 0.000 1.306 496 R HN 0.164 nan 8.270 nan 0.000 0.567 497 R N -0.013 120.488 120.500 0.002 0.000 2.528 497 R HA 0.239 4.579 4.340 -0.000 0.000 0.271 497 R C -0.727 175.568 176.300 -0.009 0.000 1.056 497 R CA 0.266 56.376 56.100 0.017 0.000 1.117 497 R CB 1.218 31.573 30.300 0.092 0.000 1.085 497 R HN -0.170 nan 8.270 nan 0.000 0.530 498 T N 2.207 116.757 114.554 -0.007 0.000 2.916 498 T HA 0.282 4.632 4.350 -0.000 0.000 0.298 498 T C -1.494 173.200 174.700 -0.011 0.000 1.031 498 T CA -0.733 61.359 62.100 -0.014 0.000 0.993 498 T CB 1.271 70.137 68.868 -0.003 0.000 1.045 498 T HN 0.641 nan 8.240 nan 0.000 0.454 499 N N 1.002 119.689 118.700 -0.021 0.000 2.272 499 N HA 0.582 5.322 4.740 -0.000 0.000 0.305 499 N C -1.425 174.075 175.510 -0.016 0.000 1.103 499 N CA -0.468 52.571 53.050 -0.018 0.000 0.791 499 N CB 1.790 40.261 38.487 -0.028 0.000 1.356 499 N HN 0.409 nan 8.380 nan 0.000 0.486 500 T N 4.031 118.581 114.554 -0.005 0.000 3.009 500 T HA 0.387 4.737 4.350 -0.000 0.000 0.346 500 T C -2.456 172.243 174.700 -0.001 0.000 1.092 500 T CA -0.827 61.274 62.100 0.003 0.000 1.080 500 T CB 1.210 70.093 68.868 0.025 0.000 1.037 500 T HN 0.510 nan 8.240 nan 0.000 0.487 501 P HA 0.221 nan 4.420 nan 0.000 0.273 501 P C 0.546 177.844 177.300 -0.002 0.000 1.248 501 P CA -0.175 62.921 63.100 -0.008 0.000 0.817 501 P CB 0.642 32.336 31.700 -0.011 0.000 0.995 510 K N 1.447 121.823 120.400 -0.040 0.000 2.464 510 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 510 K C -2.361 174.234 176.600 -0.007 0.000 1.000 510 K CA -1.248 55.029 56.287 -0.017 0.000 0.951 510 K CB 2.357 34.853 32.500 -0.006 0.000 1.183 510 K HN 0.251 nan 8.250 nan 0.000 0.445 511 P HA 0.058 nan 4.420 nan 0.000 0.281 511 P C 0.023 177.356 177.300 0.056 0.000 1.291 511 P CA 0.038 63.157 63.100 0.030 0.000 0.906 511 P CB 0.589 32.303 31.700 0.023 0.000 1.388 512 R N -1.111 119.413 120.500 0.041 0.000 2.362 512 R HA 0.280 4.620 4.340 -0.000 0.000 0.227 512 R C 0.551 176.883 176.300 0.053 0.000 0.905 512 R CA -0.347 55.778 56.100 0.042 0.000 1.067 512 R CB -0.314 29.999 30.300 0.023 0.000 1.078 512 R HN 0.026 nan 8.270 nan 0.000 0.516 513 Q N 1.839 121.677 119.800 0.064 0.000 2.352 513 Q HA 0.131 4.471 4.340 -0.000 0.000 0.260 513 Q C -0.678 175.397 176.000 0.125 0.000 0.976 513 Q CA -0.357 55.489 55.803 0.072 0.000 0.881 513 Q CB 0.985 29.762 28.738 0.065 0.000 1.235 513 Q HN 0.148 nan 8.270 nan 0.000 0.419 514 L N 3.878 125.166 121.223 0.110 0.000 2.410 514 L HA 0.240 4.580 4.340 -0.000 0.000 0.273 514 L C -1.167 175.803 176.870 0.167 0.000 1.152 514 L CA 0.344 55.286 54.840 0.171 0.000 0.855 514 L CB 0.290 42.400 42.059 0.085 0.000 1.129 514 L HN 0.732 nan 8.230 nan 0.000 0.463 515 H N 3.929 123.031 119.070 0.054 0.000 2.495 515 H HA 0.426 4.982 4.556 -0.000 0.000 0.348 515 H C 0.970 176.152 175.328 -0.242 0.000 1.113 515 H CA -0.315 55.598 56.048 -0.225 0.000 1.195 515 H CB 0.934 30.414 29.762 -0.469 0.000 1.521 515 H HN 0.767 nan 8.280 nan 0.000 0.509 516 N N 1.636 119.834 118.700 -0.836 0.000 2.150 516 N HA -0.317 4.423 4.740 -0.000 0.000 0.196 516 N C 1.575 176.866 175.510 -0.364 0.000 0.982 516 N CA 3.074 55.782 53.050 -0.570 0.000 0.896 516 N CB -0.795 37.298 38.487 -0.656 0.000 1.077 516 N HN 0.839 nan 8.380 nan 0.000 0.621 517 T N -0.779 113.523 114.554 -0.419 0.000 2.848 517 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 517 T C 1.506 176.185 174.700 -0.035 0.000 1.081 517 T CA 1.338 63.377 62.100 -0.100 0.000 1.125 517 T CB -0.546 68.331 68.868 0.014 0.000 0.848 517 T HN 0.276 nan 8.240 nan 0.000 0.503 518 H N -0.410 118.566 119.070 -0.156 0.000 2.456 518 H HA 0.062 4.618 4.556 -0.000 0.000 0.296 518 H C 1.054 176.307 175.328 -0.125 0.000 1.079 518 H CA 0.347 56.174 56.048 -0.369 0.000 1.322 518 H CB -0.738 28.815 29.762 -0.349 0.000 1.388 518 H HN 0.606 nan 8.280 nan 0.000 0.538 519 W N 2.201 123.459 121.300 -0.070 0.000 2.409 519 W HA 0.120 4.780 4.660 -0.000 0.000 0.338 519 W C 1.010 177.503 176.519 -0.043 0.000 1.273 519 W CA 1.872 59.181 57.345 -0.061 0.000 1.299 519 W CB -0.010 29.404 29.460 -0.076 0.000 1.192 519 W HN 0.505 nan 8.180 nan 0.000 0.565 520 G N 3.769 112.259 108.800 -0.515 0.000 2.299 520 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.237 520 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.237 520 G C 0.799 175.612 174.900 -0.146 0.000 1.027 520 G CA 0.570 45.467 45.100 -0.338 0.000 0.619 520 G HN 0.565 nan 8.290 nan 0.000 0.513 521 L N -0.170 121.017 121.223 -0.061 0.000 2.347 521 L HA 0.403 4.743 4.340 -0.000 0.000 0.196 521 L C 1.003 177.830 176.870 -0.072 0.000 1.072 521 L CA 0.547 55.388 54.840 0.001 0.000 0.817 521 L CB -0.001 42.199 42.059 0.235 0.000 1.029 521 L HN 0.134 nan 8.230 nan 0.000 0.478 522 V N -0.503 119.306 119.914 -0.175 0.000 2.581 522 V HA 0.195 4.315 4.120 -0.000 0.000 0.303 522 V C -0.098 175.880 176.094 -0.194 0.000 1.041 522 V CA -1.292 60.882 62.300 -0.211 0.000 0.907 522 V CB 2.185 33.770 31.823 -0.397 0.000 0.994 522 V HN 0.293 nan 8.190 nan 0.000 0.442 523 C N 7.666 126.876 119.300 -0.150 0.000 2.633 523 C HA 0.182 4.642 4.460 -0.000 0.000 0.415 523 C C 0.170 175.090 174.990 -0.118 0.000 1.393 523 C CA -0.584 58.360 59.018 -0.124 0.000 1.700 523 C CB 0.105 27.791 27.740 -0.091 0.000 2.541 523 C HN 0.881 nan 8.230 nan 0.000 0.603 524 P HA -0.031 nan 4.420 nan 0.000 0.221 524 P C 0.948 178.219 177.300 -0.047 0.000 1.150 524 P CA 2.217 65.283 63.100 -0.057 0.000 0.800 524 P CB 0.179 31.861 31.700 -0.030 0.000 0.787 525 A N 0.397 123.185 122.820 -0.052 0.000 1.919 525 A HA 0.044 4.364 4.320 -0.000 0.000 0.211 525 A C 1.253 178.806 177.584 -0.051 0.000 1.310 525 A CA -0.052 51.955 52.037 -0.050 0.000 0.651 525 A CB -1.151 17.820 19.000 -0.048 0.000 0.996 525 A HN 0.169 nan 8.150 nan 0.000 0.479 526 E N 0.940 121.109 120.200 -0.051 0.000 2.729 526 E HA 0.209 4.559 4.350 -0.000 0.000 0.246 526 E C -0.462 176.113 176.600 -0.043 0.000 0.984 526 E CA 0.892 57.266 56.400 -0.043 0.000 0.951 526 E CB -0.078 29.595 29.700 -0.045 0.000 0.914 526 E HN 0.349 nan 8.360 nan 0.000 0.509 527 T N 4.840 119.378 114.554 -0.028 0.000 3.168 527 T HA 0.254 4.604 4.350 -0.000 0.000 0.373 527 T C -2.906 171.791 174.700 -0.005 0.000 1.681 527 T CA -1.249 60.837 62.100 -0.024 0.000 1.135 527 T CB 1.215 70.066 68.868 -0.028 0.000 1.477 527 T HN 0.375 nan 8.240 nan 0.000 0.480 528 P HA 0.339 nan 4.420 nan 0.000 0.274 528 P C -0.568 176.742 177.300 0.016 0.000 1.231 528 P CA -0.213 62.886 63.100 -0.001 0.000 0.790 528 P CB 0.710 32.400 31.700 -0.016 0.000 0.951 529 E N 0.249 120.464 120.200 0.026 0.000 2.349 529 E HA 0.399 4.749 4.350 -0.000 0.000 0.262 529 E C 1.084 177.693 176.600 0.014 0.000 1.088 529 E CA -0.407 56.018 56.400 0.041 0.000 0.899 529 E CB 0.076 29.806 29.700 0.049 0.000 1.044 529 E HN 0.714 nan 8.360 nan 0.000 0.420 530 G N 1.686 110.497 108.800 0.018 0.000 2.602 530 G HA2 -0.494 3.466 3.960 -0.000 0.000 0.306 530 G HA3 -0.494 3.466 3.960 -0.000 0.000 0.306 530 G C 0.855 175.755 174.900 0.000 0.000 1.301 530 G CA 1.061 46.164 45.100 0.005 0.000 0.974 530 G HN 0.897 nan 8.290 nan 0.000 0.547 531 Q N -1.726 118.071 119.800 -0.006 0.000 2.747 531 Q HA -0.377 3.963 4.340 -0.000 0.000 0.351 531 Q C 2.176 178.174 176.000 -0.004 0.000 0.734 531 Q CA 3.419 59.218 55.803 -0.007 0.000 1.029 531 Q CB -1.538 27.194 28.738 -0.011 0.000 1.116 531 Q HN 2.224 nan 8.270 nan 0.000 0.846 532 A N 0.347 123.164 122.820 -0.005 0.000 2.507 532 A HA 0.307 4.627 4.320 -0.000 0.000 0.270 532 A C 0.477 178.060 177.584 -0.002 0.000 1.318 532 A CA 0.048 52.083 52.037 -0.004 0.000 0.924 532 A CB -0.116 18.880 19.000 -0.006 0.000 1.061 532 A HN 0.571 nan 8.150 nan 0.000 0.516 533 C N 0.133 119.434 119.300 0.001 0.000 2.538 533 C HA 0.385 4.845 4.460 -0.000 0.000 0.408 533 C C 2.015 177.007 174.990 0.004 0.000 1.421 533 C CA 1.520 60.540 59.018 0.004 0.000 1.642 533 C CB -1.325 26.422 27.740 0.012 0.000 2.553 533 C HN 1.740 nan 8.230 nan 0.000 0.604 534 G N 4.350 113.149 108.800 -0.001 0.000 2.284 534 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.261 534 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.261 534 G C 0.641 175.543 174.900 0.004 0.000 0.997 534 G CA 0.798 45.899 45.100 0.002 0.000 0.621 534 G HN 0.781 nan 8.290 nan 0.000 0.534 535 L N 0.141 121.366 121.223 0.003 0.000 2.168 535 L HA 0.218 4.558 4.340 -0.000 0.000 0.203 535 L C 1.298 178.167 176.870 -0.003 0.000 1.078 535 L CA 0.582 55.425 54.840 0.006 0.000 0.780 535 L CB -0.201 41.860 42.059 0.004 0.000 0.939 535 L HN 0.133 nan 8.230 nan 0.000 0.451 536 V N 1.615 121.523 119.914 -0.010 0.000 2.408 536 V HA 0.167 4.287 4.120 -0.000 0.000 0.267 536 V C 0.044 176.121 176.094 -0.028 0.000 1.047 536 V CA -0.246 62.046 62.300 -0.013 0.000 0.937 536 V CB 0.707 32.523 31.823 -0.011 0.000 0.999 536 V HN 0.210 nan 8.190 nan 0.000 0.472 537 K N 3.542 123.922 120.400 -0.034 0.000 2.313 537 K HA 0.546 4.866 4.320 -0.000 0.000 0.235 537 K C -0.624 175.947 176.600 -0.048 0.000 1.035 537 K CA -0.996 55.252 56.287 -0.065 0.000 0.868 537 K CB 1.764 34.202 32.500 -0.102 0.000 1.232 537 K HN 0.538 nan 8.250 nan 0.000 0.459 538 N N 1.503 120.164 118.700 -0.066 0.000 2.480 538 N HA 0.257 4.997 4.740 -0.000 0.000 0.289 538 N C -1.118 174.357 175.510 -0.059 0.000 1.073 538 N CA -0.365 52.657 53.050 -0.047 0.000 0.885 538 N CB 1.231 39.692 38.487 -0.043 0.000 1.421 538 N HN 0.382 nan 8.380 nan 0.000 0.503 539 L N 1.664 122.862 121.223 -0.043 0.000 2.485 539 L HA 0.135 4.475 4.340 -0.000 0.000 0.275 539 L C 1.349 178.185 176.870 -0.056 0.000 1.207 539 L CA 0.069 54.881 54.840 -0.047 0.000 0.855 539 L CB 0.239 42.273 42.059 -0.041 0.000 1.114 539 L HN 0.369 nan 8.230 nan 0.000 0.485 540 S N 1.901 117.555 115.700 -0.077 0.000 2.617 540 S HA 0.177 4.647 4.470 -0.000 0.000 0.255 540 S C 1.449 176.021 174.600 -0.047 0.000 1.318 540 S CA -0.664 57.486 58.200 -0.083 0.000 0.978 540 S CB 0.590 63.711 63.200 -0.132 0.000 0.961 540 S HN 0.476 nan 8.310 nan 0.000 0.582 541 L N 0.267 121.479 121.223 -0.019 0.000 2.027 541 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 541 L C 2.016 178.914 176.870 0.046 0.000 1.074 541 L CA 1.310 56.206 54.840 0.094 0.000 0.745 541 L CB -0.383 41.783 42.059 0.179 0.000 0.898 541 L HN 0.587 nan 8.230 nan 0.000 0.433 542 M N 0.212 119.698 119.600 -0.189 0.000 2.568 542 M HA 0.072 4.551 4.480 -0.000 0.000 0.226 542 M C 0.659 176.733 176.300 -0.377 0.000 1.148 542 M CA -0.055 54.921 55.300 -0.540 0.000 1.007 542 M CB -0.174 31.961 32.600 -0.775 0.000 1.651 542 M HN 0.225 nan 8.290 nan 0.000 0.488 543 S N -0.535 115.035 115.700 -0.218 0.000 2.601 543 S HA 0.491 4.961 4.470 -0.000 0.000 0.271 543 S C -0.080 174.334 174.600 -0.309 0.000 1.305 543 S CA -0.840 57.213 58.200 -0.245 0.000 1.022 543 S CB 1.578 64.681 63.200 -0.161 0.000 0.940 543 S HN 0.365 nan 8.310 nan 0.000 0.525 544 C N 1.044 119.979 119.300 -0.608 0.000 3.318 544 C HA 0.695 5.155 4.460 -0.000 0.000 0.329 544 C C -0.728 173.770 174.990 -0.820 0.000 1.449 544 C CA -0.884 57.690 59.018 -0.740 0.000 1.397 544 C CB 1.015 28.152 27.740 -1.005 0.000 1.810 544 C HN 0.928 nan 8.230 nan 0.000 0.449 545 I N 1.812 122.114 120.570 -0.448 0.000 2.534 545 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 545 I C 0.177 176.380 176.117 0.143 0.000 1.077 545 I CA 0.047 61.267 61.300 -0.133 0.000 1.051 545 I CB 2.083 40.023 38.000 -0.099 0.000 1.234 545 I HN 0.824 nan 8.210 nan 0.000 0.425 546 S N 4.317 120.203 115.700 0.310 0.000 2.593 546 S HA 0.041 4.511 4.470 -0.000 0.000 0.300 546 S C 0.544 175.181 174.600 0.061 0.000 1.267 546 S CA -0.417 57.886 58.200 0.172 0.000 1.065 546 S CB 1.382 64.624 63.200 0.069 0.000 0.807 546 S HN 0.500 nan 8.310 nan 0.000 0.499 547 V N 3.251 123.182 119.914 0.028 0.000 3.307 547 V HA 0.435 4.555 4.120 -0.000 0.000 0.253 547 V C 1.202 177.280 176.094 -0.026 0.000 1.149 547 V CA 1.245 63.541 62.300 -0.006 0.000 1.112 547 V CB -0.519 31.286 31.823 -0.031 0.000 0.777 547 V HN 1.585 nan 8.190 nan 0.000 0.464 548 G N 0.134 108.916 108.800 -0.031 0.000 3.367 548 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.686 548 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.686 548 G C -0.446 174.419 174.900 -0.059 0.000 1.146 548 G CA -0.236 44.846 45.100 -0.031 0.000 0.913 548 G HN 0.226 nan 8.290 nan 0.000 0.554 549 T N 1.833 116.364 114.554 -0.039 0.000 2.942 549 T HA 0.587 4.937 4.350 -0.000 0.000 0.289 549 T C -0.369 174.320 174.700 -0.019 0.000 1.044 549 T CA -0.538 61.535 62.100 -0.046 0.000 1.023 549 T CB 1.887 70.729 68.868 -0.045 0.000 1.123 549 T HN 0.660 nan 8.240 nan 0.000 0.512 550 D N 1.998 122.390 120.400 -0.012 0.000 2.348 550 D HA 0.160 4.800 4.640 -0.000 0.000 0.253 550 D C -1.231 175.068 176.300 -0.002 0.000 1.161 550 D CA -1.889 52.113 54.000 0.004 0.000 0.876 550 D CB 1.551 42.360 40.800 0.015 0.000 1.160 550 D HN 0.132 nan 8.370 nan 0.000 0.459 551 P HA -0.068 nan 4.420 nan 0.000 0.224 551 P C 1.812 179.101 177.300 -0.019 0.000 1.157 551 P CA 0.561 63.658 63.100 -0.005 0.000 0.799 551 P CB 0.384 32.095 31.700 0.018 0.000 0.809 552 M N 1.149 120.749 119.600 -0.000 0.000 2.226 552 M HA -0.134 4.346 4.480 -0.000 0.000 0.257 552 M C -0.244 176.059 176.300 0.005 0.000 1.070 552 M CA 3.257 58.560 55.300 0.005 0.000 1.087 552 M CB -2.596 30.016 32.600 0.019 0.000 1.278 552 M HN 0.002 nan 8.290 nan 0.000 0.426 553 P HA -0.185 nan 4.420 nan 0.000 0.219 553 P C 1.327 178.647 177.300 0.033 0.000 1.144 553 P CA 1.732 64.846 63.100 0.023 0.000 0.806 553 P CB -0.338 31.366 31.700 0.006 0.000 0.771 554 I N -0.709 119.857 120.570 -0.006 0.000 2.385 554 I HA -0.102 4.068 4.170 -0.000 0.000 0.244 554 I C 2.649 178.774 176.117 0.013 0.000 1.089 554 I CA 0.699 61.993 61.300 -0.011 0.000 1.410 554 I CB -0.479 37.478 38.000 -0.073 0.000 1.117 554 I HN -0.211 nan 8.210 nan 0.000 0.429 555 I N 0.659 121.187 120.570 -0.070 0.000 2.315 555 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 555 I C 2.456 178.554 176.117 -0.032 0.000 1.125 555 I CA 1.385 62.602 61.300 -0.139 0.000 1.392 555 I CB -0.794 37.077 38.000 -0.216 0.000 1.065 555 I HN 0.294 nan 8.210 nan 0.000 0.424 556 T N 0.880 115.450 114.554 0.028 0.000 2.623 556 T HA -0.171 4.179 4.350 -0.000 0.000 0.254 556 T C 1.667 176.419 174.700 0.087 0.000 1.075 556 T CA 1.335 63.468 62.100 0.054 0.000 1.177 556 T CB -0.481 68.430 68.868 0.071 0.000 0.869 556 T HN 0.324 nan 8.240 nan 0.000 0.403 557 F N 1.717 121.669 119.950 0.004 0.000 2.106 557 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 557 F C 1.908 177.737 175.800 0.049 0.000 1.082 557 F CA 1.402 59.423 58.000 0.035 0.000 1.244 557 F CB -0.487 38.474 39.000 -0.066 0.000 0.997 557 F HN 0.114 nan 8.300 nan 0.000 0.486 558 L N -0.071 121.217 121.223 0.109 0.000 1.970 558 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 558 L C 2.789 179.598 176.870 -0.103 0.000 1.071 558 L CA 1.873 56.702 54.840 -0.018 0.000 0.751 558 L CB -1.141 40.896 42.059 -0.036 0.000 0.889 558 L HN 0.366 nan 8.230 nan 0.000 0.432 559 S N -1.188 114.472 115.700 -0.065 0.000 2.500 559 S HA -0.179 4.291 4.470 -0.000 0.000 0.239 559 S C 1.494 176.049 174.600 -0.075 0.000 0.989 559 S CA 0.944 59.106 58.200 -0.064 0.000 0.951 559 S CB -0.337 62.844 63.200 -0.032 0.000 0.759 559 S HN 0.452 nan 8.310 nan 0.000 0.523 560 E N -0.871 119.280 120.200 -0.081 0.000 2.465 560 E HA 0.098 4.448 4.350 -0.000 0.000 0.191 560 E C -0.769 175.705 176.600 -0.211 0.000 1.053 560 E CA -0.080 56.253 56.400 -0.113 0.000 0.869 560 E CB 0.207 29.869 29.700 -0.062 0.000 0.977 560 E HN 0.758 nan 8.360 nan 0.000 0.483 561 W N -0.065 120.996 121.300 -0.398 0.000 1.190 561 W HA 0.322 4.982 4.660 -0.000 0.000 0.276 561 W C 0.589 176.967 176.519 -0.234 0.000 0.867 561 W CA 0.063 57.209 57.345 -0.332 0.000 2.129 561 W CB 0.867 30.041 29.460 -0.475 0.000 1.207 561 W HN 0.146 nan 8.180 nan 0.000 0.477 562 G N 0.824 109.608 108.800 -0.026 0.000 2.713 562 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 562 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 562 G C 0.354 175.220 174.900 -0.056 0.000 1.265 562 G CA -0.126 45.017 45.100 0.073 0.000 1.204 562 G HN 0.531 nan 8.290 nan 0.000 0.545 563 M N 1.438 120.923 119.600 -0.192 0.000 2.460 563 M HA -0.124 4.356 4.480 -0.000 0.000 0.182 563 M C -0.096 176.177 176.300 -0.045 0.000 0.903 563 M CA 1.568 56.795 55.300 -0.122 0.000 0.555 563 M CB -1.506 30.996 32.600 -0.162 0.000 1.106 563 M HN 0.550 nan 8.290 nan 0.000 0.867 564 E N 4.120 124.321 120.200 0.002 0.000 2.415 564 E HA 0.119 4.469 4.350 -0.000 0.000 0.260 564 E C -1.933 174.617 176.600 -0.083 0.000 1.016 564 E CA -1.214 55.171 56.400 -0.025 0.000 0.924 564 E CB 0.108 29.806 29.700 -0.003 0.000 0.961 564 E HN 0.436 nan 8.360 nan 0.000 0.459 565 P HA -0.142 nan 4.420 nan 0.000 0.263 565 P C 0.518 177.720 177.300 -0.163 0.000 1.175 565 P CA 0.011 63.052 63.100 -0.099 0.000 0.761 565 P CB 0.757 32.425 31.700 -0.054 0.000 0.794 566 L N 3.021 124.077 121.223 -0.278 0.000 2.349 566 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 566 L C 2.245 178.968 176.870 -0.246 0.000 1.130 566 L CA 1.769 56.324 54.840 -0.475 0.000 0.791 566 L CB -0.886 40.742 42.059 -0.719 0.000 0.918 566 L HN 0.314 nan 8.230 nan 0.000 0.444 567 E N -0.309 119.846 120.200 -0.075 0.000 2.058 567 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 567 E C 0.509 177.158 176.600 0.083 0.000 0.997 567 E CA 1.256 57.691 56.400 0.059 0.000 0.801 567 E CB -0.466 29.244 29.700 0.017 0.000 0.746 567 E HN 0.567 nan 8.360 nan 0.000 0.450 568 D N 0.435 120.848 120.400 0.021 0.000 3.139 568 D HA 0.037 4.677 4.640 -0.000 0.000 0.268 568 D C -0.645 175.686 176.300 0.052 0.000 1.322 568 D CA -0.218 53.801 54.000 0.032 0.000 0.940 568 D CB -0.367 40.438 40.800 0.008 0.000 1.050 568 D HN 0.045 nan 8.370 nan 0.000 0.503 569 Y N 1.286 121.511 120.300 -0.126 0.000 2.328 569 Y HA 0.297 4.847 4.550 -0.000 0.000 0.337 569 Y C -0.529 175.314 175.900 -0.094 0.000 1.008 569 Y CA -1.349 56.639 58.100 -0.186 0.000 1.129 569 Y CB 1.070 39.284 38.460 -0.410 0.000 1.185 569 Y HN -0.157 nan 8.280 nan 0.000 0.476 570 V N 9.343 129.010 119.914 -0.412 0.000 2.250 570 V HA 0.272 4.392 4.120 -0.000 0.000 0.268 570 V C -1.773 173.928 176.094 -0.654 0.000 1.043 570 V CA -1.546 60.490 62.300 -0.440 0.000 0.814 570 V CB 0.697 32.342 31.823 -0.297 0.000 1.072 570 V HN 0.682 nan 8.190 nan 0.000 0.451 571 P HA -0.268 nan 4.420 nan 0.000 0.213 571 P C 1.442 178.655 177.300 -0.145 0.000 1.176 571 P CA 2.164 64.934 63.100 -0.550 0.000 0.919 571 P CB -0.142 31.415 31.700 -0.239 0.000 0.791 572 H N -0.594 118.407 119.070 -0.115 0.000 2.568 572 H HA -0.013 4.543 4.556 -0.000 0.000 0.281 572 H C 1.699 177.003 175.328 -0.039 0.000 1.028 572 H CA 0.976 57.000 56.048 -0.041 0.000 1.199 572 H CB -0.602 29.145 29.762 -0.025 0.000 1.352 572 H HN 0.325 nan 8.280 nan 0.000 0.605 573 Q N 0.425 119.942 119.800 -0.471 0.000 2.350 573 Q HA 0.156 4.496 4.340 -0.000 0.000 0.225 573 Q C -0.003 175.904 176.000 -0.154 0.000 0.878 573 Q CA 0.026 55.607 55.803 -0.371 0.000 0.935 573 Q CB 0.938 29.396 28.738 -0.466 0.000 1.099 573 Q HN 0.200 nan 8.270 nan 0.000 0.527 574 S N 1.713 117.358 115.700 -0.093 0.000 2.300 574 S HA 0.221 4.691 4.470 -0.000 0.000 0.172 574 S C -2.187 172.459 174.600 0.076 0.000 1.484 574 S CA -0.874 57.337 58.200 0.019 0.000 1.265 574 S CB 1.374 64.635 63.200 0.102 0.000 1.313 574 S HN 0.304 nan 8.310 nan 0.000 0.387 575 P HA -0.117 nan 4.420 nan 0.000 0.214 575 P C 0.344 177.695 177.300 0.086 0.000 1.163 575 P CA 1.321 64.470 63.100 0.082 0.000 0.883 575 P CB -0.016 31.722 31.700 0.064 0.000 0.788 576 D N 0.186 120.619 120.400 0.055 0.000 2.348 576 D HA 0.157 4.797 4.640 -0.000 0.000 0.248 576 D C 0.840 177.162 176.300 0.036 0.000 1.142 576 D CA 0.227 54.252 54.000 0.042 0.000 0.904 576 D CB -0.342 40.470 40.800 0.021 0.000 0.901 576 D HN 0.196 nan 8.370 nan 0.000 0.523 577 A N 0.482 123.338 122.820 0.061 0.000 2.340 577 A HA 0.406 4.726 4.320 -0.000 0.000 0.268 577 A C 0.504 178.109 177.584 0.035 0.000 1.100 577 A CA -0.191 51.872 52.037 0.044 0.000 0.803 577 A CB 0.656 19.711 19.000 0.092 0.000 1.043 577 A HN -0.002 nan 8.150 nan 0.000 0.488 578 T N 2.236 116.798 114.554 0.013 0.000 2.829 578 T HA 0.492 4.842 4.350 -0.000 0.000 0.282 578 T C 0.064 174.771 174.700 0.011 0.000 0.990 578 T CA -0.467 61.649 62.100 0.027 0.000 1.028 578 T CB 0.688 69.583 68.868 0.045 0.000 0.951 578 T HN 0.687 nan 8.240 nan 0.000 0.460 579 R N 1.755 122.254 120.500 -0.002 0.000 2.207 579 R HA 0.624 4.964 4.340 -0.000 0.000 0.334 579 R C -0.938 175.319 176.300 -0.071 0.000 1.013 579 R CA -0.762 55.322 56.100 -0.026 0.000 0.858 579 R CB 0.339 30.566 30.300 -0.122 0.000 1.094 579 R HN 0.269 nan 8.270 nan 0.000 0.457 580 V N 4.498 124.387 119.914 -0.042 0.000 2.583 580 V HA 0.310 4.430 4.120 -0.000 0.000 0.287 580 V C -0.414 175.597 176.094 -0.139 0.000 1.051 580 V CA -0.031 62.256 62.300 -0.022 0.000 1.010 580 V CB 0.400 32.221 31.823 -0.003 0.000 0.988 580 V HN 0.566 nan 8.190 nan 0.000 0.478 581 F N 2.991 122.916 119.950 -0.041 0.000 2.540 581 F HA 0.684 5.211 4.527 -0.000 0.000 0.317 581 F C -0.180 175.558 175.800 -0.103 0.000 1.104 581 F CA -0.737 57.237 58.000 -0.043 0.000 0.913 581 F CB 2.202 41.087 39.000 -0.192 0.000 1.170 581 F HN 0.133 nan 8.300 nan 0.000 0.450 582 V N 3.440 123.475 119.914 0.202 0.000 2.525 582 V HA 0.295 4.415 4.120 -0.000 0.000 0.299 582 V C -0.369 175.794 176.094 0.115 0.000 1.034 582 V CA -1.236 61.077 62.300 0.023 0.000 0.863 582 V CB 1.556 33.316 31.823 -0.105 0.000 0.999 582 V HN 0.828 nan 8.190 nan 0.000 0.423 583 N N 4.159 122.862 118.700 0.005 0.000 2.710 583 N HA -0.237 4.503 4.740 -0.000 0.000 0.249 583 N C 1.164 176.837 175.510 0.272 0.000 1.059 583 N CA 1.841 55.020 53.050 0.215 0.000 0.720 583 N CB -0.906 37.711 38.487 0.216 0.000 0.983 583 N HN 1.494 nan 8.380 nan 0.000 0.544 584 G N -3.234 105.707 108.800 0.234 0.000 2.308 584 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.221 584 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.221 584 G C 0.044 175.278 174.900 0.557 0.000 1.032 584 G CA 0.093 45.404 45.100 0.352 0.000 0.623 584 G HN 0.450 nan 8.290 nan 0.000 0.506 585 V N 1.020 121.213 119.914 0.465 0.000 2.649 585 V HA 0.491 4.611 4.120 -0.000 0.000 0.292 585 V C 0.384 176.699 176.094 0.368 0.000 1.055 585 V CA -0.207 62.319 62.300 0.377 0.000 1.023 585 V CB 1.420 33.276 31.823 0.055 0.000 0.992 585 V HN 0.346 nan 8.190 nan 0.000 0.480 586 W N 4.850 126.121 121.300 -0.048 0.000 2.360 586 W HA 0.390 5.050 4.660 -0.000 0.000 0.344 586 W C 0.939 177.231 176.519 -0.378 0.000 1.025 586 W CA -1.008 56.024 57.345 -0.522 0.000 1.480 586 W CB -0.289 28.785 29.460 -0.643 0.000 1.350 586 W HN 0.698 nan 8.180 nan 0.000 0.382 587 H N 3.581 122.606 119.070 -0.075 0.000 2.533 587 H HA 0.245 4.801 4.556 -0.000 0.000 0.271 587 H C 1.208 176.379 175.328 -0.262 0.000 1.000 587 H CA 1.059 57.025 56.048 -0.137 0.000 1.149 587 H CB 0.481 30.206 29.762 -0.062 0.000 1.375 587 H HN 0.576 nan 8.280 nan 0.000 0.582 588 G N -0.034 108.554 108.800 -0.354 0.000 2.291 588 G HA2 0.078 4.038 3.960 -0.000 0.000 0.249 588 G HA3 0.078 4.038 3.960 -0.000 0.000 0.249 588 G C -1.547 173.129 174.900 -0.372 0.000 1.340 588 G CA -0.275 44.547 45.100 -0.462 0.000 1.017 588 G HN 0.094 nan 8.290 nan 0.000 0.470 589 V N -0.350 119.385 119.914 -0.298 0.000 3.181 589 V HA 0.877 4.997 4.120 -0.000 0.000 0.308 589 V C -1.037 175.058 176.094 0.001 0.000 1.214 589 V CA -0.594 61.577 62.300 -0.215 0.000 1.053 589 V CB 2.198 33.727 31.823 -0.490 0.000 1.069 589 V HN 1.392 nan 8.190 nan 0.000 0.441 590 H N 1.198 120.217 119.070 -0.084 0.000 3.179 590 H HA 0.506 5.062 4.556 -0.000 0.000 0.331 590 H C -0.368 174.956 175.328 -0.006 0.000 1.013 590 H CA -0.605 55.424 56.048 -0.033 0.000 1.430 590 H CB 1.061 30.817 29.762 -0.010 0.000 1.895 590 H HN 0.630 nan 8.280 nan 0.000 0.468 591 R N 2.588 122.913 120.500 -0.291 0.000 2.738 591 R HA 0.153 4.493 4.340 -0.000 0.000 0.275 591 R C 0.143 176.122 176.300 -0.536 0.000 1.121 591 R CA -0.543 55.394 56.100 -0.272 0.000 1.207 591 R CB 0.188 30.395 30.300 -0.155 0.000 1.141 591 R HN 0.750 nan 8.270 nan 0.000 0.571 592 N N 1.268 119.800 118.700 -0.279 0.000 2.678 592 N HA -0.111 4.629 4.740 -0.000 0.000 0.268 592 N C -1.706 173.662 175.510 -0.237 0.000 1.010 592 N CA 0.242 53.164 53.050 -0.213 0.000 0.784 592 N CB -0.146 38.251 38.487 -0.150 0.000 0.905 592 N HN 0.499 nan 8.380 nan 0.000 0.552 593 P HA -0.033 nan 4.420 nan 0.000 0.227 593 P C 1.165 178.523 177.300 0.097 0.000 1.161 593 P CA 1.089 64.237 63.100 0.080 0.000 0.788 593 P CB 0.036 31.784 31.700 0.080 0.000 0.822 594 A N 1.320 124.168 122.820 0.047 0.000 1.908 594 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 594 A C 2.437 180.065 177.584 0.074 0.000 1.181 594 A CA 1.454 53.522 52.037 0.052 0.000 0.627 594 A CB -1.044 17.975 19.000 0.032 0.000 0.818 594 A HN 0.107 nan 8.150 nan 0.000 0.445 595 R N -1.288 119.270 120.500 0.097 0.000 2.057 595 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 595 R C 2.201 178.598 176.300 0.162 0.000 1.136 595 R CA 1.257 57.437 56.100 0.134 0.000 0.952 595 R CB -0.849 29.551 30.300 0.166 0.000 0.848 595 R HN 0.493 nan 8.270 nan 0.000 0.430 596 L N 1.255 122.621 121.223 0.237 0.000 2.010 596 L HA -0.265 4.075 4.340 -0.000 0.000 0.219 596 L C 2.373 179.293 176.870 0.084 0.000 1.077 596 L CA 1.942 56.908 54.840 0.210 0.000 0.773 596 L CB -0.535 41.700 42.059 0.293 0.000 0.892 596 L HN 0.127 nan 8.230 nan 0.000 0.436 597 M N -0.081 119.569 119.600 0.083 0.000 2.065 597 M HA -0.253 4.227 4.480 -0.000 0.000 0.259 597 M C 2.316 178.618 176.300 0.004 0.000 1.069 597 M CA 2.341 57.662 55.300 0.036 0.000 1.110 597 M CB -0.584 32.044 32.600 0.047 0.000 1.328 597 M HN 0.524 nan 8.290 nan 0.000 0.405 598 E N -1.589 118.622 120.200 0.019 0.000 2.160 598 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 598 E C 1.477 178.057 176.600 -0.034 0.000 0.991 598 E CA 1.826 58.227 56.400 0.001 0.000 0.810 598 E CB -0.065 29.648 29.700 0.023 0.000 0.742 598 E HN 0.584 nan 8.360 nan 0.000 0.466 599 T N 1.271 115.795 114.554 -0.050 0.000 2.668 599 T HA -0.129 4.221 4.350 -0.000 0.000 0.262 599 T C 1.849 176.426 174.700 -0.204 0.000 1.045 599 T CA 1.269 63.280 62.100 -0.148 0.000 1.152 599 T CB -0.317 68.369 68.868 -0.304 0.000 0.864 599 T HN 0.136 nan 8.240 nan 0.000 0.419 600 L N 0.667 121.775 121.223 -0.192 0.000 1.976 600 L HA -0.262 4.078 4.340 -0.000 0.000 0.223 600 L C 2.945 179.703 176.870 -0.186 0.000 1.081 600 L CA 1.838 56.538 54.840 -0.235 0.000 0.784 600 L CB -0.614 41.357 42.059 -0.146 0.000 0.896 600 L HN 0.236 nan 8.230 nan 0.000 0.438 601 R N -0.800 119.633 120.500 -0.111 0.000 2.119 601 R HA -0.176 4.164 4.340 -0.000 0.000 0.246 601 R C 2.171 178.409 176.300 -0.102 0.000 1.146 601 R CA 2.002 58.051 56.100 -0.085 0.000 0.962 601 R CB -0.867 29.407 30.300 -0.043 0.000 0.863 601 R HN 0.443 nan 8.270 nan 0.000 0.442 602 T N 1.496 115.987 114.554 -0.105 0.000 2.788 602 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 602 T C 1.803 176.426 174.700 -0.129 0.000 1.044 602 T CA 0.982 63.023 62.100 -0.099 0.000 1.139 602 T CB -0.073 68.748 68.868 -0.078 0.000 0.867 602 T HN 0.167 nan 8.240 nan 0.000 0.454 603 L N 0.477 121.587 121.223 -0.188 0.000 2.291 603 L HA 0.093 4.433 4.340 -0.000 0.000 0.214 603 L C 2.751 179.506 176.870 -0.193 0.000 1.120 603 L CA 0.769 55.474 54.840 -0.224 0.000 0.799 603 L CB -0.317 41.515 42.059 -0.378 0.000 0.925 603 L HN 0.151 nan 8.230 nan 0.000 0.446 604 R N 0.324 120.721 120.500 -0.171 0.000 2.246 604 R HA -0.003 4.337 4.340 -0.000 0.000 0.199 604 R C 2.013 178.233 176.300 -0.134 0.000 0.984 604 R CA 0.435 56.448 56.100 -0.145 0.000 1.015 604 R CB 0.219 30.444 30.300 -0.125 0.000 0.930 604 R HN 0.291 nan 8.270 nan 0.000 0.475 605 R N -0.177 120.248 120.500 -0.125 0.000 2.156 605 R HA 0.064 4.404 4.340 -0.000 0.000 0.207 605 R C 2.054 178.285 176.300 -0.116 0.000 1.040 605 R CA 0.555 56.581 56.100 -0.123 0.000 1.013 605 R CB 0.024 30.262 30.300 -0.104 0.000 0.931 605 R HN 0.039 nan 8.270 nan 0.000 0.465 606 K N -0.010 120.328 120.400 -0.103 0.000 2.288 606 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 606 K C 0.850 177.397 176.600 -0.090 0.000 1.048 606 K CA 1.296 57.532 56.287 -0.084 0.000 0.956 606 K CB 0.271 32.727 32.500 -0.073 0.000 0.746 606 K HN 0.314 nan 8.250 nan 0.000 0.461 607 G N 0.501 109.237 108.800 -0.107 0.000 2.238 607 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 607 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 607 G C 0.479 175.320 174.900 -0.098 0.000 0.996 607 G CA 0.276 45.316 45.100 -0.101 0.000 0.632 607 G HN 0.363 nan 8.290 nan 0.000 0.503 608 D N 0.487 120.822 120.400 -0.108 0.000 2.228 608 D HA -0.041 4.599 4.640 -0.000 0.000 0.203 608 D C 1.269 177.484 176.300 -0.142 0.000 0.988 608 D CA 1.119 55.050 54.000 -0.116 0.000 0.864 608 D CB 0.225 40.946 40.800 -0.133 0.000 0.928 608 D HN 0.542 nan 8.370 nan 0.000 0.469 609 I N 1.301 121.773 120.570 -0.164 0.000 2.389 609 I HA 0.068 4.238 4.170 -0.000 0.000 0.288 609 I C 0.398 176.443 176.117 -0.120 0.000 0.999 609 I CA -0.918 60.283 61.300 -0.166 0.000 1.129 609 I CB 1.535 39.402 38.000 -0.222 0.000 1.288 609 I HN -0.239 nan 8.210 nan 0.000 0.444 610 N N 8.230 126.875 118.700 -0.092 0.000 2.217 610 N HA -0.060 4.680 4.740 -0.000 0.000 0.268 610 N C -1.719 173.752 175.510 -0.065 0.000 1.290 610 N CA -0.608 52.402 53.050 -0.067 0.000 0.831 610 N CB 1.109 39.562 38.487 -0.057 0.000 1.057 610 N HN 0.327 nan 8.380 nan 0.000 0.481 611 P HA -0.150 nan 4.420 nan 0.000 0.218 611 P C 0.739 178.029 177.300 -0.017 0.000 1.146 611 P CA 1.309 64.392 63.100 -0.029 0.000 0.813 611 P CB 0.294 31.993 31.700 -0.001 0.000 0.778 612 E N -0.541 119.623 120.200 -0.059 0.000 2.031 612 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 612 E C 0.367 176.861 176.600 -0.176 0.000 0.994 612 E CA 0.583 56.845 56.400 -0.229 0.000 0.800 612 E CB -0.603 29.009 29.700 -0.147 0.000 0.752 612 E HN -0.009 nan 8.360 nan 0.000 0.447 613 V N 3.049 122.910 119.914 -0.089 0.000 2.742 613 V HA -0.124 3.996 4.120 -0.000 0.000 0.302 613 V C 0.464 176.539 176.094 -0.030 0.000 1.133 613 V CA 0.468 62.742 62.300 -0.043 0.000 1.284 613 V CB -0.163 31.631 31.823 -0.050 0.000 0.850 613 V HN 0.211 nan 8.190 nan 0.000 0.494 614 S N 6.210 121.930 115.700 0.034 0.000 2.525 614 S HA 0.850 5.320 4.470 -0.000 0.000 0.290 614 S C -0.721 173.925 174.600 0.077 0.000 1.152 614 S CA -0.976 57.260 58.200 0.061 0.000 1.072 614 S CB 1.580 64.850 63.200 0.116 0.000 1.027 614 S HN 0.601 nan 8.310 nan 0.000 0.500 615 M N 2.854 122.483 119.600 0.049 0.000 2.204 615 M HA 0.475 4.955 4.480 -0.000 0.000 0.293 615 M C -1.769 174.558 176.300 0.044 0.000 0.994 615 M CA -0.495 54.820 55.300 0.025 0.000 0.925 615 M CB 1.679 34.273 32.600 -0.010 0.000 1.577 615 M HN 0.524 nan 8.290 nan 0.000 0.439 616 I N 2.646 123.240 120.570 0.039 0.000 2.474 616 I HA 0.518 4.688 4.170 -0.000 0.000 0.294 616 I C -0.225 175.912 176.117 0.033 0.000 1.005 616 I CA -0.441 60.888 61.300 0.049 0.000 1.113 616 I CB 1.940 39.978 38.000 0.063 0.000 1.289 616 I HN 0.634 nan 8.210 nan 0.000 0.436 617 R N 4.046 124.572 120.500 0.043 0.000 2.412 617 R HA 0.241 4.581 4.340 -0.000 0.000 0.304 617 R C -0.942 175.382 176.300 0.041 0.000 1.066 617 R CA -0.424 55.700 56.100 0.041 0.000 0.923 617 R CB 0.686 31.014 30.300 0.046 0.000 1.156 617 R HN 0.636 nan 8.270 nan 0.000 0.513 618 D N 6.592 127.011 120.400 0.033 0.000 2.551 618 D HA 0.041 4.681 4.640 -0.000 0.000 0.223 618 D C 1.575 177.895 176.300 0.032 0.000 1.144 618 D CA -0.067 53.951 54.000 0.030 0.000 1.025 618 D CB 0.221 41.031 40.800 0.017 0.000 1.085 618 D HN 0.645 nan 8.370 nan 0.000 0.506 619 I N 1.739 122.330 120.570 0.035 0.000 2.132 619 I HA -0.428 3.742 4.170 -0.000 0.000 0.238 619 I C 2.111 178.247 176.117 0.031 0.000 1.012 619 I CA 1.591 62.912 61.300 0.034 0.000 1.288 619 I CB -0.161 37.858 38.000 0.032 0.000 0.997 619 I HN 0.259 nan 8.210 nan 0.000 0.402 620 R N 0.051 120.568 120.500 0.029 0.000 2.328 620 R HA -0.132 4.208 4.340 -0.000 0.000 0.207 620 R C 1.695 178.013 176.300 0.031 0.000 1.056 620 R CA 0.653 56.770 56.100 0.028 0.000 1.016 620 R CB -0.174 30.140 30.300 0.023 0.000 0.872 620 R HN 0.303 nan 8.270 nan 0.000 0.471 621 E N 0.671 120.890 120.200 0.031 0.000 2.481 621 E HA 0.067 4.417 4.350 -0.000 0.000 0.198 621 E C -0.503 176.124 176.600 0.046 0.000 1.027 621 E CA 0.024 56.444 56.400 0.034 0.000 0.900 621 E CB 0.248 29.960 29.700 0.022 0.000 0.993 621 E HN 0.007 nan 8.360 nan 0.000 0.482 622 K N 1.128 121.555 120.400 0.045 0.000 3.150 622 K HA -0.212 4.108 4.320 -0.000 0.000 0.267 622 K C -0.907 175.725 176.600 0.054 0.000 1.028 622 K CA 0.870 57.186 56.287 0.049 0.000 0.753 622 K CB -1.417 31.117 32.500 0.058 0.000 1.288 622 K HN 0.278 nan 8.250 nan 0.000 0.473 623 E N 0.434 120.667 120.200 0.055 0.000 2.317 623 E HA 0.506 4.856 4.350 -0.000 0.000 0.270 623 E C -1.220 175.422 176.600 0.070 0.000 0.885 623 E CA -1.194 55.252 56.400 0.077 0.000 0.760 623 E CB 1.961 31.692 29.700 0.050 0.000 1.227 623 E HN 0.045 nan 8.360 nan 0.000 0.434 624 L N 2.168 123.452 121.223 0.101 0.000 2.457 624 L HA 0.379 4.719 4.340 -0.000 0.000 0.266 624 L C -1.496 175.411 176.870 0.062 0.000 0.979 624 L CA -0.505 54.374 54.840 0.066 0.000 0.857 624 L CB 1.051 43.149 42.059 0.066 0.000 1.213 624 L HN 0.398 nan 8.230 nan 0.000 0.418 625 K N 6.647 127.033 120.400 -0.023 0.000 2.293 625 K HA 0.595 4.915 4.320 -0.000 0.000 0.267 625 K C -0.966 175.498 176.600 -0.227 0.000 1.010 625 K CA -0.498 55.691 56.287 -0.164 0.000 0.875 625 K CB 1.974 34.297 32.500 -0.296 0.000 1.106 625 K HN 0.555 nan 8.250 nan 0.000 0.450 626 I N 3.596 124.007 120.570 -0.265 0.000 2.377 626 I HA 0.363 4.533 4.170 -0.000 0.000 0.293 626 I C -0.637 175.308 176.117 -0.286 0.000 0.987 626 I CA -0.716 60.474 61.300 -0.183 0.000 1.185 626 I CB 0.856 38.792 38.000 -0.107 0.000 1.341 626 I HN 0.410 nan 8.210 nan 0.000 0.455 627 F N 3.371 123.320 119.950 -0.003 0.000 2.507 627 F HA 0.324 4.851 4.527 -0.000 0.000 0.325 627 F C 0.831 176.616 175.800 -0.024 0.000 1.116 627 F CA -0.391 57.606 58.000 -0.005 0.000 0.930 627 F CB 2.202 41.194 39.000 -0.013 0.000 1.146 627 F HN 0.388 nan 8.300 nan 0.000 0.447 628 T N -0.402 114.279 114.554 0.212 0.000 3.003 628 T HA 0.017 4.367 4.350 -0.000 0.000 0.261 628 T C 0.140 174.884 174.700 0.074 0.000 1.003 628 T CA -0.283 61.871 62.100 0.091 0.000 0.917 628 T CB -0.129 68.769 68.868 0.051 0.000 1.084 628 T HN 0.409 nan 8.240 nan 0.000 0.522 629 D N 2.338 122.807 120.400 0.114 0.000 2.567 629 D HA 0.177 4.817 4.640 -0.000 0.000 0.228 629 D C 0.013 176.315 176.300 0.003 0.000 1.185 629 D CA 0.503 54.531 54.000 0.046 0.000 0.874 629 D CB 0.514 41.310 40.800 -0.006 0.000 1.219 629 D HN 0.378 nan 8.370 nan 0.000 0.494 630 A N 0.522 123.338 122.820 -0.007 0.000 2.317 630 A HA 0.631 4.951 4.320 -0.000 0.000 0.327 630 A C 0.755 178.322 177.584 -0.027 0.000 1.178 630 A CA 0.187 52.219 52.037 -0.009 0.000 0.817 630 A CB 1.397 20.397 19.000 -0.001 0.000 1.189 630 A HN 0.799 nan 8.150 nan 0.000 0.489 631 G N 1.619 110.404 108.800 -0.026 0.000 2.151 631 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.156 631 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.156 631 G C -0.120 174.723 174.900 -0.094 0.000 1.017 631 G CA -0.267 44.800 45.100 -0.056 0.000 0.686 631 G HN 0.854 nan 8.290 nan 0.000 0.503 632 R N 0.096 120.562 120.500 -0.057 0.000 2.295 632 R HA 0.572 4.912 4.340 -0.000 0.000 0.324 632 R C 0.361 176.667 176.300 0.010 0.000 0.968 632 R CA -0.742 55.308 56.100 -0.082 0.000 0.837 632 R CB 2.193 32.452 30.300 -0.069 0.000 1.133 632 R HN 0.087 nan 8.270 nan 0.000 0.450 633 V N 4.629 124.489 119.914 -0.090 0.000 2.686 633 V HA 0.206 4.326 4.120 -0.000 0.000 0.295 633 V C -0.331 175.826 176.094 0.105 0.000 1.055 633 V CA 0.026 62.302 62.300 -0.040 0.000 1.050 633 V CB 0.027 31.861 31.823 0.019 0.000 0.984 633 V HN 0.737 nan 8.190 nan 0.000 0.482 634 Y N 3.081 123.377 120.300 -0.007 0.000 2.670 634 Y HA 0.880 5.430 4.550 -0.000 0.000 0.334 634 Y C -0.655 175.239 175.900 -0.009 0.000 1.185 634 Y CA -1.806 56.301 58.100 0.011 0.000 1.053 634 Y CB 1.526 39.983 38.460 -0.006 0.000 1.298 634 Y HN 0.672 nan 8.280 nan 0.000 0.459 635 R N 0.840 121.479 120.500 0.231 0.000 2.774 635 R HA 0.683 5.023 4.340 -0.000 0.000 0.272 635 R C -3.373 173.090 176.300 0.270 0.000 1.000 635 R CA -1.969 54.189 56.100 0.097 0.000 0.906 635 R CB 2.546 32.837 30.300 -0.016 0.000 1.227 635 R HN 0.498 nan 8.270 nan 0.000 0.468 636 P HA 0.367 nan 4.420 nan 0.000 0.277 636 P C -0.705 176.625 177.300 0.050 0.000 1.276 636 P CA -0.446 62.828 63.100 0.289 0.000 0.788 636 P CB 0.956 32.850 31.700 0.324 0.000 1.114 637 L N -1.871 119.339 121.223 -0.022 0.000 2.789 637 L HA 0.304 4.644 4.340 -0.000 0.000 0.254 637 L C -0.426 176.394 176.870 -0.085 0.000 0.952 637 L CA -0.692 54.101 54.840 -0.078 0.000 0.942 637 L CB 1.115 43.200 42.059 0.044 0.000 1.502 637 L HN 0.233 nan 8.230 nan 0.000 0.425 638 F N 2.151 122.142 119.950 0.069 0.000 2.418 638 F HA 0.413 4.940 4.527 -0.000 0.000 0.341 638 F C 0.713 176.534 175.800 0.035 0.000 1.120 638 F CA -0.159 57.856 58.000 0.024 0.000 1.232 638 F CB 0.733 39.734 39.000 0.002 0.000 1.175 638 F HN 0.130 nan 8.300 nan 0.000 0.569 639 I N 2.028 122.706 120.570 0.179 0.000 2.677 639 I HA 0.161 4.331 4.170 -0.000 0.000 0.305 639 I C 0.380 176.497 176.117 0.001 0.000 0.988 639 I CA -0.304 61.005 61.300 0.015 0.000 1.260 639 I CB 1.699 39.679 38.000 -0.033 0.000 1.410 639 I HN 0.430 nan 8.210 nan 0.000 0.523 640 V N 1.164 121.034 119.914 -0.074 0.000 3.562 640 V HA 0.063 4.183 4.120 -0.000 0.000 0.270 640 V C 0.246 176.335 176.094 -0.008 0.000 1.418 640 V CA -0.165 62.128 62.300 -0.013 0.000 1.033 640 V CB -0.298 31.545 31.823 0.034 0.000 0.820 640 V HN 0.666 nan 8.190 nan 0.000 0.441 641 E N 3.245 123.419 120.200 -0.043 0.000 3.127 641 E HA -0.234 4.116 4.350 -0.000 0.000 0.299 641 E C 1.065 177.663 176.600 -0.003 0.000 0.757 641 E CA 0.979 57.364 56.400 -0.024 0.000 1.106 641 E CB 0.036 29.717 29.700 -0.032 0.000 0.714 641 E HN 0.757 nan 8.360 nan 0.000 0.498 642 D N 2.273 122.680 120.400 0.011 0.000 2.315 642 D HA -0.230 4.410 4.640 -0.000 0.000 0.211 642 D C -0.098 176.197 176.300 -0.009 0.000 0.977 642 D CA 0.510 54.519 54.000 0.014 0.000 0.894 642 D CB -0.109 40.708 40.800 0.027 0.000 0.910 642 D HN 0.252 nan 8.370 nan 0.000 0.490 643 D N 1.807 122.201 120.400 -0.009 0.000 2.661 643 D HA -0.042 4.598 4.640 -0.000 0.000 0.283 643 D C -0.099 176.185 176.300 -0.025 0.000 1.470 643 D CA 0.962 54.954 54.000 -0.014 0.000 1.126 643 D CB -0.012 40.782 40.800 -0.009 0.000 1.145 643 D HN 0.369 nan 8.370 nan 0.000 0.572 644 E N 0.790 120.966 120.200 -0.040 0.000 2.558 644 E HA -0.005 4.345 4.350 -0.000 0.000 0.345 644 E C 0.761 177.318 176.600 -0.073 0.000 0.928 644 E CA -0.090 56.271 56.400 -0.065 0.000 0.774 644 E CB 1.011 30.647 29.700 -0.107 0.000 1.462 644 E HN 0.269 nan 8.360 nan 0.000 0.387 645 S N 3.223 118.893 115.700 -0.049 0.000 2.359 645 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 645 S C 1.406 175.973 174.600 -0.055 0.000 1.035 645 S CA 0.593 58.769 58.200 -0.040 0.000 1.018 645 S CB -0.269 62.916 63.200 -0.025 0.000 0.876 645 S HN 0.572 nan 8.310 nan 0.000 0.448 646 L N 2.984 124.167 121.223 -0.066 0.000 2.679 646 L HA 0.286 4.626 4.340 -0.000 0.000 0.241 646 L C 0.988 177.777 176.870 -0.135 0.000 1.441 646 L CA 0.199 54.996 54.840 -0.072 0.000 1.181 646 L CB -1.776 40.249 42.059 -0.055 0.000 1.451 646 L HN 0.702 nan 8.230 nan 0.000 0.446 647 G N 1.699 110.422 108.800 -0.127 0.000 3.295 647 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 647 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 647 G C 0.260 174.830 174.900 -0.548 0.000 0.958 647 G CA -0.288 44.712 45.100 -0.167 0.000 0.787 647 G HN 0.969 nan 8.290 nan 0.000 0.523 648 H N -0.733 118.347 119.070 0.017 0.000 1.452 648 H HA -0.227 4.329 4.556 -0.000 0.000 0.090 648 H C 0.246 175.589 175.328 0.025 0.000 2.619 648 H CA 1.055 57.117 56.048 0.022 0.000 1.901 648 H CB -0.642 29.138 29.762 0.030 0.000 2.257 648 H HN 1.048 nan 8.280 nan 0.000 0.961 649 K N 1.334 121.892 120.400 0.263 0.000 2.213 649 K HA 0.429 4.749 4.320 -0.000 0.000 0.270 649 K C -0.624 176.123 176.600 0.244 0.000 1.002 649 K CA -0.177 56.214 56.287 0.173 0.000 0.868 649 K CB 1.204 33.803 32.500 0.165 0.000 1.093 649 K HN 0.513 nan 8.250 nan 0.000 0.454 650 E N 2.924 123.189 120.200 0.108 0.000 2.367 650 E HA 0.337 4.687 4.350 -0.000 0.000 0.273 650 E C -1.255 175.371 176.600 0.044 0.000 0.903 650 E CA -0.705 55.753 56.400 0.097 0.000 0.764 650 E CB 1.061 30.782 29.700 0.034 0.000 1.252 650 E HN 0.461 nan 8.360 nan 0.000 0.446 651 L N 3.900 125.134 121.223 0.019 0.000 2.453 651 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 651 L C 1.447 178.313 176.870 -0.007 0.000 1.182 651 L CA -0.010 54.821 54.840 -0.015 0.000 0.858 651 L CB 0.445 42.438 42.059 -0.110 0.000 1.120 651 L HN 0.630 nan 8.230 nan 0.000 0.474 652 K N 1.755 122.158 120.400 0.004 0.000 2.097 652 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 652 K C 0.545 177.157 176.600 0.020 0.000 1.049 652 K CA 0.749 57.040 56.287 0.007 0.000 0.933 652 K CB -0.007 32.483 32.500 -0.017 0.000 0.717 652 K HN 0.388 nan 8.250 nan 0.000 0.442 653 V N 2.110 122.023 119.914 -0.002 0.000 3.096 653 V HA 0.007 4.127 4.120 -0.000 0.000 0.306 653 V C 0.632 176.805 176.094 0.132 0.000 1.088 653 V CA 0.192 62.510 62.300 0.031 0.000 1.129 653 V CB 0.764 32.599 31.823 0.021 0.000 1.014 653 V HN 0.296 nan 8.190 nan 0.000 0.486 654 R N 1.411 122.100 120.500 0.314 0.000 2.752 654 R HA 0.301 4.641 4.340 -0.000 0.000 0.271 654 R C 0.833 177.199 176.300 0.109 0.000 1.026 654 R CA -0.882 55.311 56.100 0.155 0.000 0.901 654 R CB 1.196 31.561 30.300 0.109 0.000 1.243 654 R HN 0.663 nan 8.270 nan 0.000 0.463 655 K N 0.735 121.160 120.400 0.041 0.000 2.113 655 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 655 K C 1.571 178.176 176.600 0.008 0.000 1.047 655 K CA 2.268 58.576 56.287 0.034 0.000 0.928 655 K CB -0.589 31.921 32.500 0.017 0.000 0.716 655 K HN 0.714 nan 8.250 nan 0.000 0.446 656 G N 1.036 109.797 108.800 -0.065 0.000 2.514 656 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 656 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 656 G C 1.241 176.040 174.900 -0.169 0.000 1.198 656 G CA 1.217 46.216 45.100 -0.167 0.000 0.780 656 G HN 0.437 nan 8.290 nan 0.000 0.565 657 H N 0.369 119.440 119.070 0.001 0.000 2.422 657 H HA 0.014 4.570 4.556 -0.000 0.000 0.298 657 H C 2.683 178.084 175.328 0.122 0.000 1.098 657 H CA 1.112 57.179 56.048 0.031 0.000 1.315 657 H CB -0.077 29.779 29.762 0.157 0.000 1.382 657 H HN 0.355 nan 8.280 nan 0.000 0.523 658 I N 0.503 121.208 120.570 0.224 0.000 2.353 658 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 658 I C 2.740 178.954 176.117 0.163 0.000 1.119 658 I CA 0.754 62.184 61.300 0.217 0.000 1.417 658 I CB -0.269 37.838 38.000 0.178 0.000 1.078 658 I HN 0.132 nan 8.210 nan 0.000 0.421 659 A N 0.608 123.480 122.820 0.087 0.000 1.972 659 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 659 A C 2.340 179.958 177.584 0.057 0.000 1.169 659 A CA 1.612 53.684 52.037 0.057 0.000 0.635 659 A CB -0.425 18.581 19.000 0.009 0.000 0.810 659 A HN 0.317 nan 8.150 nan 0.000 0.446 660 K N -0.617 119.795 120.400 0.020 0.000 2.155 660 K HA 0.082 4.402 4.320 -0.000 0.000 0.203 660 K C 1.780 178.489 176.600 0.183 0.000 1.052 660 K CA 0.724 56.979 56.287 -0.054 0.000 0.948 660 K CB -0.180 32.068 32.500 -0.420 0.000 0.728 660 K HN 0.492 nan 8.250 nan 0.000 0.448 661 L N 0.172 121.603 121.223 0.346 0.000 2.049 661 L HA -0.093 4.247 4.340 -0.000 0.000 0.203 661 L C 2.455 179.498 176.870 0.287 0.000 1.074 661 L CA 1.042 56.140 54.840 0.431 0.000 0.749 661 L CB -0.214 42.083 42.059 0.395 0.000 0.907 661 L HN 0.251 nan 8.230 nan 0.000 0.439 662 M N -0.719 119.021 119.600 0.233 0.000 2.267 662 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 662 M C 2.412 178.828 176.300 0.194 0.000 1.063 662 M CA 1.454 56.875 55.300 0.202 0.000 1.090 662 M CB -0.520 32.178 32.600 0.163 0.000 1.392 662 M HN 0.347 nan 8.290 nan 0.000 0.422 663 A N 0.312 123.235 122.820 0.171 0.000 1.873 663 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 663 A C 2.183 179.887 177.584 0.201 0.000 1.193 663 A CA 2.545 54.677 52.037 0.158 0.000 0.629 663 A CB -1.269 17.799 19.000 0.113 0.000 0.826 663 A HN 0.439 nan 8.150 nan 0.000 0.447 664 T N -0.316 114.363 114.554 0.207 0.000 2.788 664 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 664 T C 1.765 176.570 174.700 0.176 0.000 1.044 664 T CA 1.554 63.768 62.100 0.190 0.000 1.139 664 T CB -0.255 68.736 68.868 0.205 0.000 0.867 664 T HN 0.627 nan 8.240 nan 0.000 0.454 665 E N -0.012 120.307 120.200 0.199 0.000 2.031 665 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 665 E C 1.952 178.655 176.600 0.171 0.000 0.994 665 E CA 1.200 57.709 56.400 0.182 0.000 0.800 665 E CB -0.305 29.517 29.700 0.202 0.000 0.752 665 E HN 0.502 nan 8.360 nan 0.000 0.447 666 Y N 2.038 122.389 120.300 0.086 0.000 2.181 666 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 666 Y C 1.658 177.593 175.900 0.058 0.000 1.179 666 Y CA 1.646 59.786 58.100 0.067 0.000 1.179 666 Y CB -0.134 38.362 38.460 0.061 0.000 0.973 666 Y HN 0.039 nan 8.280 nan 0.000 0.519 667 Q N 1.107 120.924 119.800 0.029 0.000 2.425 667 Q HA -0.000 4.340 4.340 -0.000 0.000 0.213 667 Q C -0.679 175.282 176.000 -0.066 0.000 0.950 667 Q CA 0.370 56.143 55.803 -0.051 0.000 0.979 667 Q CB -0.200 28.568 28.738 0.049 0.000 0.997 667 Q HN 0.486 nan 8.270 nan 0.000 0.509 679 Y N 3.462 123.809 120.300 0.079 0.000 2.518 679 Y HA 0.410 4.960 4.550 -0.000 0.000 0.344 679 Y C 0.168 176.130 175.900 0.103 0.000 0.982 679 Y CA -0.340 57.811 58.100 0.085 0.000 1.234 679 Y CB 0.581 39.100 38.460 0.099 0.000 1.114 679 Y HN 0.030 nan 8.280 nan 0.000 0.515 680 T N 3.932 118.417 114.554 -0.115 0.000 2.865 680 T HA -0.050 4.300 4.350 -0.000 0.000 0.302 680 T C 0.995 175.608 174.700 -0.145 0.000 1.078 680 T CA -0.488 61.574 62.100 -0.064 0.000 0.942 680 T CB 0.601 69.461 68.868 -0.013 0.000 1.387 680 T HN 0.839 nan 8.240 nan 0.000 0.557 681 W N -0.082 121.119 121.300 -0.166 0.000 2.704 681 W HA 0.084 4.744 4.660 -0.000 0.000 0.266 681 W C 1.546 177.969 176.519 -0.160 0.000 1.266 681 W CA 0.370 57.628 57.345 -0.145 0.000 1.377 681 W CB -0.449 28.956 29.460 -0.092 0.000 1.082 681 W HN 0.523 nan 8.180 nan 0.000 0.608 682 S N 0.988 116.583 115.700 -0.175 0.000 2.428 682 S HA -0.173 4.297 4.470 -0.000 0.000 0.230 682 S C 2.057 176.461 174.600 -0.327 0.000 1.014 682 S CA 1.710 59.755 58.200 -0.258 0.000 0.957 682 S CB -0.178 62.981 63.200 -0.068 0.000 0.784 682 S HN 0.396 nan 8.310 nan 0.000 0.499 683 S N 2.253 117.749 115.700 -0.340 0.000 2.368 683 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 683 S C 1.789 176.158 174.600 -0.385 0.000 1.030 683 S CA 0.843 58.846 58.200 -0.327 0.000 0.999 683 S CB -0.710 62.215 63.200 -0.460 0.000 0.844 683 S HN 0.414 nan 8.310 nan 0.000 0.459 684 L N 0.372 121.256 121.223 -0.566 0.000 2.046 684 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 684 L C 2.617 179.175 176.870 -0.519 0.000 1.077 684 L CA 0.899 55.437 54.840 -0.502 0.000 0.747 684 L CB -0.618 41.093 42.059 -0.580 0.000 0.896 684 L HN 0.283 nan 8.230 nan 0.000 0.432 685 L N -0.051 120.765 121.223 -0.679 0.000 2.093 685 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 685 L C 2.225 178.878 176.870 -0.362 0.000 1.085 685 L CA 1.720 56.199 54.840 -0.602 0.000 0.755 685 L CB -0.706 40.940 42.059 -0.688 0.000 0.904 685 L HN 0.248 nan 8.230 nan 0.000 0.435 686 N N -0.030 118.500 118.700 -0.283 0.000 2.173 686 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 686 N C 1.285 176.712 175.510 -0.139 0.000 1.025 686 N CA 1.120 54.064 53.050 -0.177 0.000 0.852 686 N CB -0.204 38.208 38.487 -0.125 0.000 0.998 686 N HN 0.483 nan 8.380 nan 0.000 0.427 687 E N 0.700 120.823 120.200 -0.129 0.000 2.482 687 E HA 0.076 4.426 4.350 -0.000 0.000 0.200 687 E C 0.282 176.813 176.600 -0.116 0.000 1.147 687 E CA -0.175 56.177 56.400 -0.080 0.000 0.912 687 E CB -0.492 29.195 29.700 -0.021 0.000 0.938 687 E HN 0.351 nan 8.360 nan 0.000 0.519 688 G N 1.316 110.023 108.800 -0.154 0.000 2.356 688 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.296 688 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.296 688 G C 0.518 175.329 174.900 -0.148 0.000 1.022 688 G CA 0.285 45.294 45.100 -0.152 0.000 0.961 688 G HN 0.373 nan 8.290 nan 0.000 0.510 689 L N -1.689 119.418 121.223 -0.194 0.000 2.640 689 L HA 0.361 4.701 4.340 -0.000 0.000 0.230 689 L C 0.573 177.381 176.870 -0.104 0.000 1.123 689 L CA -0.001 54.750 54.840 -0.147 0.000 0.900 689 L CB 0.272 42.206 42.059 -0.210 0.000 1.146 689 L HN 0.199 nan 8.230 nan 0.000 0.484 690 V N -1.778 118.010 119.914 -0.210 0.000 3.216 690 V HA 0.464 4.584 4.120 -0.000 0.000 0.302 690 V C -0.955 174.992 176.094 -0.245 0.000 1.286 690 V CA -0.936 61.225 62.300 -0.232 0.000 1.048 690 V CB 2.852 34.403 31.823 -0.454 0.000 1.081 690 V HN -0.018 nan 8.190 nan 0.000 0.442 691 E N -0.129 119.974 120.200 -0.161 0.000 2.433 691 E HA 0.491 4.840 4.350 -0.000 0.000 0.278 691 E C -2.042 174.542 176.600 -0.027 0.000 0.976 691 E CA -0.749 55.564 56.400 -0.144 0.000 0.793 691 E CB 3.123 32.831 29.700 0.012 0.000 1.311 691 E HN 0.709 nan 8.360 nan 0.000 0.460 692 Y N 1.530 121.841 120.300 0.018 0.000 2.434 692 Y HA 0.411 4.961 4.550 -0.000 0.000 0.341 692 Y C 0.015 175.899 175.900 -0.027 0.000 0.965 692 Y CA -0.690 57.434 58.100 0.040 0.000 1.205 692 Y CB 0.772 39.117 38.460 -0.192 0.000 1.121 692 Y HN 0.163 nan 8.280 nan 0.000 0.507 693 I N 4.931 125.644 120.570 0.238 0.000 2.378 693 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 693 I C -0.540 175.697 176.117 0.199 0.000 0.992 693 I CA -0.826 60.552 61.300 0.129 0.000 1.154 693 I CB 1.391 39.401 38.000 0.016 0.000 1.315 693 I HN 0.603 nan 8.210 nan 0.000 0.448 694 D N 5.526 126.022 120.400 0.160 0.000 2.326 694 D HA 0.276 4.916 4.640 -0.000 0.000 0.251 694 D C 0.861 177.262 176.300 0.167 0.000 1.023 694 D CA -0.645 53.468 54.000 0.188 0.000 0.966 694 D CB 1.915 42.791 40.800 0.127 0.000 1.156 694 D HN 0.531 nan 8.370 nan 0.000 0.494 695 A N 0.670 123.619 122.820 0.214 0.000 2.042 695 A HA -0.288 4.032 4.320 -0.000 0.000 0.222 695 A C 1.920 179.665 177.584 0.268 0.000 1.167 695 A CA 2.157 54.354 52.037 0.267 0.000 0.649 695 A CB -0.750 18.485 19.000 0.393 0.000 0.809 695 A HN 0.677 nan 8.150 nan 0.000 0.457 696 E N -0.058 120.248 120.200 0.177 0.000 2.028 696 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 696 E C 1.960 178.643 176.600 0.138 0.000 0.984 696 E CA 1.607 58.089 56.400 0.137 0.000 0.800 696 E CB -0.344 29.397 29.700 0.067 0.000 0.758 696 E HN 0.690 nan 8.360 nan 0.000 0.448 697 E N 0.024 120.296 120.200 0.121 0.000 2.204 697 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 697 E C 1.862 178.505 176.600 0.073 0.000 0.989 697 E CA 0.849 57.305 56.400 0.094 0.000 0.824 697 E CB -0.048 29.698 29.700 0.077 0.000 0.756 697 E HN 0.342 nan 8.360 nan 0.000 0.477 698 E N 0.500 120.748 120.200 0.081 0.000 2.130 698 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 698 E C 1.781 178.420 176.600 0.066 0.000 0.998 698 E CA 1.208 57.639 56.400 0.053 0.000 0.806 698 E CB 0.116 29.872 29.700 0.093 0.000 0.738 698 E HN 0.233 nan 8.360 nan 0.000 0.459 699 E N 0.026 120.294 120.200 0.113 0.000 2.130 699 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 699 E C 1.890 178.538 176.600 0.080 0.000 0.998 699 E CA 1.502 57.969 56.400 0.112 0.000 0.806 699 E CB -0.186 29.610 29.700 0.160 0.000 0.738 699 E HN 0.292 nan 8.360 nan 0.000 0.459 700 S N 0.123 115.871 115.700 0.080 0.000 2.614 700 S HA 0.199 4.669 4.470 -0.000 0.000 0.230 700 S C 0.835 175.497 174.600 0.103 0.000 0.952 700 S CA -0.585 57.664 58.200 0.081 0.000 0.949 700 S CB -0.772 62.475 63.200 0.080 0.000 0.786 700 S HN 0.271 nan 8.310 nan 0.000 0.478 701 I N -2.401 118.230 120.570 0.102 0.000 2.892 701 I HA 0.774 4.944 4.170 -0.000 0.000 0.306 701 I C -1.517 174.697 176.117 0.161 0.000 1.078 701 I CA -1.697 59.705 61.300 0.169 0.000 1.032 701 I CB 1.859 39.942 38.000 0.139 0.000 1.229 701 I HN 0.031 nan 8.210 nan 0.000 0.435 702 L N 4.916 126.288 121.223 0.247 0.000 2.313 702 L HA 0.628 4.968 4.340 -0.000 0.000 0.283 702 L C -0.945 176.113 176.870 0.312 0.000 1.013 702 L CA -0.363 54.639 54.840 0.269 0.000 0.816 702 L CB 1.411 43.657 42.059 0.311 0.000 1.236 702 L HN 0.514 nan 8.230 nan 0.000 0.419 703 I N 4.885 125.553 120.570 0.164 0.000 2.410 703 I HA 0.581 4.751 4.170 -0.000 0.000 0.286 703 I C 0.085 176.016 176.117 -0.311 0.000 1.009 703 I CA -0.778 60.507 61.300 -0.024 0.000 1.111 703 I CB 1.755 39.747 38.000 -0.013 0.000 1.262 703 I HN 0.704 nan 8.210 nan 0.000 0.443 704 A N 5.393 127.732 122.820 -0.802 0.000 2.363 704 A HA 0.446 4.766 4.320 -0.000 0.000 0.270 704 A C 0.737 178.107 177.584 -0.355 0.000 1.121 704 A CA -0.390 51.062 52.037 -0.976 0.000 0.800 704 A CB 0.944 19.084 19.000 -1.434 0.000 1.052 704 A HN 0.854 nan 8.150 nan 0.000 0.493 705 M N 1.073 120.545 119.600 -0.213 0.000 2.074 705 M HA -0.033 4.447 4.480 -0.000 0.000 0.258 705 M C 1.067 177.297 176.300 -0.116 0.000 1.083 705 M CA 1.851 57.083 55.300 -0.112 0.000 1.128 705 M CB -0.239 32.307 32.600 -0.090 0.000 1.301 705 M HN 0.785 nan 8.290 nan 0.000 0.417 706 Q N 0.173 119.903 119.800 -0.115 0.000 2.230 706 Q HA 0.203 4.543 4.340 -0.000 0.000 0.253 706 Q C -1.856 174.078 176.000 -0.110 0.000 0.919 706 Q CA -1.839 53.902 55.803 -0.103 0.000 0.908 706 Q CB 1.454 30.151 28.738 -0.069 0.000 1.245 706 Q HN 0.173 nan 8.270 nan 0.000 0.437 707 P HA -0.220 nan 4.420 nan 0.000 0.212 707 P C 0.483 177.724 177.300 -0.098 0.000 1.179 707 P CA 1.276 64.303 63.100 -0.122 0.000 0.898 707 P CB 0.133 31.731 31.700 -0.170 0.000 0.775 708 E N 1.174 121.324 120.200 -0.082 0.000 1.986 708 E HA -0.271 4.079 4.350 -0.000 0.000 0.229 708 E C 1.633 178.163 176.600 -0.115 0.000 0.997 708 E CA 1.570 57.925 56.400 -0.074 0.000 0.894 708 E CB -1.871 27.805 29.700 -0.039 0.000 0.813 708 E HN 0.090 nan 8.360 nan 0.000 0.549 709 D N 0.157 120.496 120.400 -0.101 0.000 2.426 709 D HA -0.166 4.474 4.640 -0.000 0.000 0.218 709 D C 1.395 177.547 176.300 -0.247 0.000 0.978 709 D CA 1.036 54.952 54.000 -0.140 0.000 0.983 709 D CB -0.010 40.754 40.800 -0.061 0.000 0.862 709 D HN 0.339 nan 8.370 nan 0.000 0.498 710 L N -0.590 120.512 121.223 -0.201 0.000 3.016 710 L HA 0.221 4.561 4.340 -0.000 0.000 0.267 710 L C 0.434 177.296 176.870 -0.014 0.000 1.182 710 L CA 0.123 54.893 54.840 -0.116 0.000 0.997 710 L CB 0.642 42.721 42.059 0.035 0.000 1.354 710 L HN -0.210 nan 8.230 nan 0.000 0.569 711 E N 1.254 121.378 120.200 -0.126 0.000 3.428 711 E HA 0.210 4.560 4.350 -0.000 0.000 0.191 711 E C -2.428 174.080 176.600 -0.153 0.000 0.980 711 E CA -0.725 55.657 56.400 -0.030 0.000 1.305 711 E CB 1.382 31.108 29.700 0.044 0.000 1.105 711 E HN 0.202 nan 8.360 nan 0.000 0.455 712 P HA 0.496 nan 4.420 nan 0.000 0.292 712 P C -1.063 176.215 177.300 -0.037 0.000 1.313 712 P CA -0.651 62.351 63.100 -0.163 0.000 0.965 712 P CB 1.823 33.428 31.700 -0.158 0.000 1.303 713 A N 0.556 123.354 122.820 -0.038 0.000 2.309 713 A HA 0.320 4.640 4.320 -0.000 0.000 0.298 713 A C 0.208 177.826 177.584 0.056 0.000 1.165 713 A CA -0.593 51.458 52.037 0.024 0.000 0.821 713 A CB 0.001 18.987 19.000 -0.023 0.000 1.102 713 A HN 0.628 nan 8.150 nan 0.000 0.500 714 E N 2.091 122.329 120.200 0.062 0.000 2.265 714 E HA 0.407 4.757 4.350 -0.000 0.000 0.272 714 E C 0.653 177.260 176.600 0.011 0.000 1.067 714 E CA -0.156 56.265 56.400 0.035 0.000 0.900 714 E CB 0.532 30.221 29.700 -0.019 0.000 1.017 714 E HN 0.788 nan 8.360 nan 0.000 0.431 723 V N 2.609 122.537 119.914 0.023 0.000 2.432 723 V HA 0.253 4.373 4.120 -0.000 0.000 0.275 723 V C 0.456 176.568 176.094 0.029 0.000 1.043 723 V CA -0.769 61.548 62.300 0.027 0.000 0.925 723 V CB 1.748 33.588 31.823 0.028 0.000 0.985 723 V HN 0.009 nan 8.190 nan 0.000 0.466 724 D N 7.549 127.968 120.400 0.032 0.000 2.554 724 D HA -0.002 4.638 4.640 -0.000 0.000 0.251 724 D C -0.893 175.427 176.300 0.035 0.000 1.213 724 D CA -0.939 53.082 54.000 0.034 0.000 0.900 724 D CB 1.519 42.343 40.800 0.040 0.000 1.135 724 D HN 0.437 nan 8.370 nan 0.000 0.522 725 P HA -0.091 nan 4.420 nan 0.000 0.228 725 P C 0.614 177.934 177.300 0.033 0.000 1.151 725 P CA 0.499 63.616 63.100 0.030 0.000 0.770 725 P CB 0.331 32.047 31.700 0.026 0.000 0.786 726 A N -0.558 122.284 122.820 0.036 0.000 2.220 726 A HA 0.104 4.424 4.320 -0.000 0.000 0.211 726 A C 1.096 178.710 177.584 0.050 0.000 1.176 726 A CA 0.106 52.167 52.037 0.039 0.000 0.834 726 A CB -0.312 18.709 19.000 0.036 0.000 0.868 726 A HN 0.138 nan 8.150 nan 0.000 0.488 727 K N 1.416 121.848 120.400 0.053 0.000 2.185 727 K HA 0.288 4.608 4.320 -0.000 0.000 0.271 727 K C 0.365 177.001 176.600 0.061 0.000 1.013 727 K CA -0.587 55.740 56.287 0.066 0.000 0.943 727 K CB 0.834 33.373 32.500 0.065 0.000 0.998 727 K HN 0.562 nan 8.250 nan 0.000 0.468 728 R N 1.794 122.335 120.500 0.069 0.000 2.893 728 R HA 0.167 4.507 4.340 -0.000 0.000 0.279 728 R C -0.210 176.120 176.300 0.050 0.000 1.076 728 R CA -0.144 55.988 56.100 0.054 0.000 1.203 728 R CB -0.007 30.323 30.300 0.049 0.000 1.137 728 R HN 0.425 nan 8.270 nan 0.000 0.541 729 I N 0.561 121.155 120.570 0.041 0.000 2.377 729 I HA 0.381 4.551 4.170 -0.000 0.000 0.293 729 I C 0.203 176.343 176.117 0.039 0.000 0.987 729 I CA -0.799 60.524 61.300 0.038 0.000 1.185 729 I CB 1.591 39.609 38.000 0.031 0.000 1.341 729 I HN 0.493 nan 8.210 nan 0.000 0.455 730 R N 3.737 124.262 120.500 0.042 0.000 2.711 730 R HA 0.598 4.938 4.340 -0.000 0.000 0.284 730 R C 0.155 176.480 176.300 0.042 0.000 0.968 730 R CA -0.776 55.349 56.100 0.041 0.000 0.924 730 R CB 2.325 32.653 30.300 0.045 0.000 1.162 730 R HN 0.361 nan 8.270 nan 0.000 0.465 731 V N 0.273 120.212 119.914 0.042 0.000 2.239 731 V HA 0.086 4.206 4.120 -0.000 0.000 0.147 731 V C 0.413 176.542 176.094 0.058 0.000 0.891 731 V CA 0.508 62.836 62.300 0.047 0.000 1.342 731 V CB 0.018 31.869 31.823 0.046 0.000 0.803 731 V HN 0.850 nan 8.190 nan 0.000 0.430 732 S N -1.083 114.656 115.700 0.066 0.000 2.638 732 S HA 0.408 4.878 4.470 -0.000 0.000 0.274 732 S C -0.870 173.790 174.600 0.100 0.000 1.157 732 S CA -0.568 57.665 58.200 0.055 0.000 0.826 732 S CB 1.308 64.424 63.200 -0.141 0.000 1.139 732 S HN 0.797 nan 8.310 nan 0.000 0.474 733 H N 0.539 119.586 119.070 -0.039 0.000 2.799 733 H HA 0.292 4.848 4.556 -0.000 0.000 0.225 733 H C -0.728 174.565 175.328 -0.058 0.000 1.904 733 H CA -0.238 55.843 56.048 0.056 0.000 1.344 733 H CB -0.975 28.851 29.762 0.107 0.000 1.744 733 H HN 0.461 nan 8.280 nan 0.000 0.542 734 H N 2.484 121.497 119.070 -0.095 0.000 3.008 734 H HA 0.519 5.075 4.556 -0.000 0.000 0.268 734 H C -0.309 174.879 175.328 -0.233 0.000 1.323 734 H CA -0.034 55.906 56.048 -0.180 0.000 1.401 734 H CB 0.031 29.718 29.762 -0.126 0.000 1.556 734 H HN 0.828 nan 8.280 nan 0.000 0.502 735 A N 2.860 125.542 122.820 -0.231 0.000 2.401 735 A HA 0.131 4.451 4.320 -0.000 0.000 0.313 735 A C -0.050 177.239 177.584 -0.492 0.000 1.013 735 A CA -0.747 51.025 52.037 -0.441 0.000 1.034 735 A CB 0.016 18.554 19.000 -0.771 0.000 1.324 735 A HN 0.387 nan 8.150 nan 0.000 0.366 736 T N 2.410 116.814 114.554 -0.250 0.000 3.540 736 T HA 0.425 4.775 4.350 -0.000 0.000 0.269 736 T C 0.746 175.364 174.700 -0.135 0.000 1.481 736 T CA 0.900 62.907 62.100 -0.154 0.000 1.224 736 T CB -0.208 68.615 68.868 -0.074 0.000 1.192 736 T HN 0.694 nan 8.240 nan 0.000 0.756 737 T N -0.058 114.371 114.554 -0.208 0.000 3.172 737 T HA 0.226 4.576 4.350 -0.000 0.000 0.261 737 T C 0.457 175.190 174.700 0.056 0.000 0.854 737 T CA -0.524 61.531 62.100 -0.076 0.000 0.848 737 T CB -0.015 68.807 68.868 -0.077 0.000 1.267 737 T HN 0.501 nan 8.240 nan 0.000 0.581 738 F N 3.224 123.200 119.950 0.043 0.000 2.480 738 F HA -0.112 4.415 4.527 -0.000 0.000 0.409 738 F C 2.020 177.828 175.800 0.014 0.000 0.979 738 F CA 0.626 58.654 58.000 0.047 0.000 1.184 738 F CB 0.618 39.649 39.000 0.052 0.000 0.925 738 F HN 0.211 nan 8.300 nan 0.000 0.543 739 T N -1.308 113.373 114.554 0.212 0.000 2.955 739 T HA 0.220 4.569 4.350 -0.000 0.000 0.251 739 T C -0.105 174.345 174.700 -0.417 0.000 1.002 739 T CA 0.003 62.052 62.100 -0.085 0.000 0.970 739 T CB 0.147 68.973 68.868 -0.070 0.000 1.091 739 T HN 0.595 nan 8.240 nan 0.000 0.495 740 H N -0.606 118.518 119.070 0.090 0.000 2.977 740 H HA 0.770 5.326 4.556 -0.000 0.000 0.350 740 H C -1.247 174.066 175.328 -0.025 0.000 1.238 740 H CA -0.993 55.087 56.048 0.054 0.000 1.124 740 H CB 1.688 31.482 29.762 0.052 0.000 1.866 740 H HN 0.330 nan 8.280 nan 0.000 0.550 741 C N 1.016 120.413 119.300 0.163 0.000 2.783 741 C HA 0.501 4.961 4.460 -0.000 0.000 0.312 741 C C -0.587 174.506 174.990 0.171 0.000 1.182 741 C CA -0.505 58.544 59.018 0.051 0.000 1.432 741 C CB 0.989 28.748 27.740 0.032 0.000 1.933 741 C HN 0.933 nan 8.230 nan 0.000 0.473 742 E N 3.020 123.272 120.200 0.086 0.000 2.376 742 E HA 0.179 4.529 4.350 -0.000 0.000 0.266 742 E C 1.236 177.911 176.600 0.126 0.000 1.009 742 E CA -0.045 56.406 56.400 0.084 0.000 0.902 742 E CB 0.414 30.156 29.700 0.070 0.000 0.972 742 E HN 0.513 nan 8.360 nan 0.000 0.439 743 I N 2.599 123.129 120.570 -0.066 0.000 2.163 743 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 743 I C 0.654 176.803 176.117 0.053 0.000 1.085 743 I CA 1.671 62.879 61.300 -0.153 0.000 1.347 743 I CB -0.900 36.846 38.000 -0.425 0.000 1.044 743 I HN 0.645 nan 8.210 nan 0.000 0.408 744 H N -0.071 118.910 119.070 -0.149 0.000 3.218 744 H HA 0.105 4.661 4.556 -0.000 0.000 0.300 744 H C -2.021 173.253 175.328 -0.090 0.000 1.304 744 H CA -0.756 55.197 56.048 -0.159 0.000 1.562 744 H CB 1.414 30.905 29.762 -0.452 0.000 2.216 744 H HN -0.255 nan 8.280 nan 0.000 0.371 745 P HA -0.298 nan 4.420 nan 0.000 0.219 745 P C 1.365 178.820 177.300 0.258 0.000 1.153 745 P CA 2.200 65.307 63.100 0.012 0.000 0.865 745 P CB 0.126 31.698 31.700 -0.214 0.000 0.788 746 S N -1.936 114.189 115.700 0.709 0.000 2.493 746 S HA -0.100 4.370 4.470 -0.000 0.000 0.243 746 S C 1.772 176.488 174.600 0.194 0.000 0.991 746 S CA 0.941 59.445 58.200 0.507 0.000 0.957 746 S CB -0.985 62.484 63.200 0.448 0.000 0.756 746 S HN -0.025 nan 8.310 nan 0.000 0.521 747 M N 1.854 121.498 119.600 0.074 0.000 2.595 747 M HA 0.286 4.765 4.480 -0.000 0.000 0.248 747 M C 1.827 178.029 176.300 -0.164 0.000 1.119 747 M CA 0.103 55.363 55.300 -0.067 0.000 1.079 747 M CB -1.222 31.285 32.600 -0.153 0.000 1.472 747 M HN 0.614 nan 8.290 nan 0.000 0.501 748 I N -2.573 117.844 120.570 -0.256 0.000 2.916 748 I HA -0.072 4.098 4.170 -0.000 0.000 0.267 748 I C 0.852 176.819 176.117 -0.249 0.000 1.263 748 I CA 0.308 61.343 61.300 -0.442 0.000 1.471 748 I CB -0.399 37.103 38.000 -0.830 0.000 1.089 748 I HN 0.004 nan 8.210 nan 0.000 0.468 749 L N 1.024 122.174 121.223 -0.122 0.000 2.488 749 L HA 0.692 5.032 4.340 -0.000 0.000 0.249 749 L C 0.628 177.457 176.870 -0.068 0.000 1.151 749 L CA -0.325 54.469 54.840 -0.076 0.000 0.806 749 L CB 0.883 42.924 42.059 -0.030 0.000 1.261 749 L HN 0.182 nan 8.230 nan 0.000 0.484 750 G N -1.406 107.362 108.800 -0.055 0.000 2.672 750 G HA2 0.462 4.422 3.960 -0.000 0.000 0.292 750 G HA3 0.462 4.422 3.960 -0.000 0.000 0.292 750 G C 0.363 175.243 174.900 -0.033 0.000 1.375 750 G CA -0.527 44.549 45.100 -0.040 0.000 0.890 750 G HN 0.397 nan 8.290 nan 0.000 0.476 751 V N 1.226 121.128 119.914 -0.020 0.000 2.316 751 V HA -0.433 3.687 4.120 -0.000 0.000 0.247 751 V C 3.328 179.402 176.094 -0.033 0.000 1.028 751 V CA 3.899 66.187 62.300 -0.020 0.000 1.105 751 V CB -1.497 30.315 31.823 -0.018 0.000 0.781 751 V HN 1.238 nan 8.190 nan 0.000 0.494 752 A N -0.164 122.636 122.820 -0.032 0.000 1.863 752 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 752 A C 2.362 179.905 177.584 -0.068 0.000 1.233 752 A CA 3.834 55.847 52.037 -0.040 0.000 0.655 752 A CB -1.369 17.610 19.000 -0.035 0.000 0.839 752 A HN 1.178 nan 8.150 nan 0.000 0.454 753 A N -1.275 121.505 122.820 -0.066 0.000 2.076 753 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 753 A C 2.333 179.855 177.584 -0.102 0.000 1.160 753 A CA 2.005 53.995 52.037 -0.079 0.000 0.653 753 A CB -0.881 18.082 19.000 -0.062 0.000 0.801 753 A HN 0.496 nan 8.150 nan 0.000 0.455 754 S N -0.696 114.949 115.700 -0.092 0.000 2.419 754 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 754 S C 1.403 175.889 174.600 -0.191 0.000 1.019 754 S CA 1.318 59.455 58.200 -0.104 0.000 0.982 754 S CB -0.384 62.778 63.200 -0.063 0.000 0.789 754 S HN 0.589 nan 8.310 nan 0.000 0.490 755 I N 0.768 121.191 120.570 -0.245 0.000 3.793 755 I HA 0.156 4.326 4.170 -0.000 0.000 0.315 755 I C -0.062 175.818 176.117 -0.395 0.000 1.275 755 I CA 0.221 61.266 61.300 -0.425 0.000 1.214 755 I CB 0.089 37.754 38.000 -0.558 0.000 1.018 755 I HN 0.123 nan 8.210 nan 0.000 0.439 756 I N 4.155 124.558 120.570 -0.277 0.000 2.416 756 I HA 0.170 4.340 4.170 -0.000 0.000 0.288 756 I C -2.076 173.899 176.117 -0.236 0.000 1.051 756 I CA -1.742 59.404 61.300 -0.258 0.000 1.375 756 I CB 0.664 38.564 38.000 -0.167 0.000 1.407 756 I HN -0.156 nan 8.210 nan 0.000 0.516 757 P HA 0.177 nan 4.420 nan 0.000 0.286 757 P C -0.277 176.997 177.300 -0.044 0.000 1.269 757 P CA -0.201 62.729 63.100 -0.284 0.000 0.787 757 P CB 0.475 32.015 31.700 -0.266 0.000 0.920 758 F N 1.555 121.511 119.950 0.011 0.000 3.090 758 F HA -0.162 4.365 4.527 -0.000 0.000 0.282 758 F C -0.898 174.964 175.800 0.103 0.000 0.923 758 F CA -0.332 57.721 58.000 0.090 0.000 0.977 758 F CB -1.796 37.261 39.000 0.094 0.000 0.954 758 F HN 0.349 nan 8.300 nan 0.000 0.695 759 P HA -0.125 nan 4.420 nan 0.000 0.242 759 P C 0.535 177.878 177.300 0.072 0.000 1.198 759 P CA 1.542 64.700 63.100 0.096 0.000 0.756 759 P CB -0.051 31.648 31.700 -0.001 0.000 0.911 760 D N -2.125 118.314 120.400 0.066 0.000 2.463 760 D HA -0.015 4.625 4.640 -0.000 0.000 0.224 760 D C 0.582 176.802 176.300 -0.134 0.000 1.174 760 D CA -0.276 53.711 54.000 -0.022 0.000 0.829 760 D CB -0.795 39.919 40.800 -0.144 0.000 0.993 760 D HN 0.285 nan 8.370 nan 0.000 0.497 761 H N -0.339 118.772 119.070 0.068 0.000 2.865 761 H HA 0.297 4.853 4.556 -0.000 0.000 0.247 761 H C -0.677 174.667 175.328 0.027 0.000 1.181 761 H CA -0.441 55.620 56.048 0.023 0.000 0.975 761 H CB 0.464 30.202 29.762 -0.040 0.000 1.899 761 H HN 0.034 nan 8.280 nan 0.000 0.651 762 N N 1.212 119.990 118.700 0.130 0.000 2.249 762 N HA 0.062 4.802 4.740 -0.000 0.000 0.296 762 N C -0.638 174.903 175.510 0.051 0.000 1.051 762 N CA -0.531 52.579 53.050 0.100 0.000 0.815 762 N CB 2.443 41.019 38.487 0.147 0.000 1.487 762 N HN 0.144 nan 8.380 nan 0.000 0.475 763 Q N 2.038 121.856 119.800 0.030 0.000 2.247 763 Q HA 0.036 4.376 4.340 -0.000 0.000 0.288 763 Q C 0.636 176.616 176.000 -0.032 0.000 1.079 763 Q CA 0.368 56.171 55.803 0.000 0.000 0.932 763 Q CB 0.441 29.176 28.738 -0.005 0.000 1.133 763 Q HN 0.723 nan 8.270 nan 0.000 0.377 764 S N 5.317 120.997 115.700 -0.032 0.000 2.433 764 S HA -0.223 4.247 4.470 -0.000 0.000 0.276 764 S C -0.904 173.618 174.600 -0.130 0.000 1.122 764 S CA 2.162 60.328 58.200 -0.055 0.000 1.277 764 S CB -0.885 62.290 63.200 -0.041 0.000 1.198 764 S HN 0.850 nan 8.310 nan 0.000 0.440 765 P HA -0.105 nan 4.420 nan 0.000 0.218 765 P C 1.044 177.933 177.300 -0.684 0.000 1.149 765 P CA 1.098 63.945 63.100 -0.422 0.000 0.817 765 P CB -0.126 31.331 31.700 -0.406 0.000 0.785 766 R N -0.317 119.941 120.500 -0.403 0.000 2.193 766 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 766 R C 1.921 178.148 176.300 -0.122 0.000 1.110 766 R CA 0.573 56.528 56.100 -0.242 0.000 0.988 766 R CB -1.107 29.190 30.300 -0.004 0.000 0.871 766 R HN 0.304 nan 8.270 nan 0.000 0.458 767 N N -0.151 118.477 118.700 -0.120 0.000 2.216 767 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 767 N C 1.404 176.869 175.510 -0.075 0.000 1.017 767 N CA 1.304 54.316 53.050 -0.063 0.000 0.861 767 N CB -0.077 38.383 38.487 -0.044 0.000 0.986 767 N HN 0.130 nan 8.380 nan 0.000 0.428 768 T N 0.468 114.940 114.554 -0.137 0.000 2.857 768 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 768 T C 1.719 176.443 174.700 0.040 0.000 1.048 768 T CA 0.773 62.825 62.100 -0.079 0.000 1.139 768 T CB -0.273 68.525 68.868 -0.115 0.000 0.874 768 T HN 0.345 nan 8.240 nan 0.000 0.455 769 Y N 1.254 121.542 120.300 -0.020 0.000 2.089 769 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 769 Y C 3.053 178.929 175.900 -0.040 0.000 1.139 769 Y CA 0.832 58.916 58.100 -0.026 0.000 1.123 769 Y CB -0.304 38.147 38.460 -0.015 0.000 0.980 769 Y HN 0.130 nan 8.280 nan 0.000 0.493 770 Q N 0.908 120.783 119.800 0.125 0.000 2.112 770 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 770 Q C 2.055 178.050 176.000 -0.008 0.000 0.987 770 Q CA 2.342 58.157 55.803 0.020 0.000 0.858 770 Q CB -0.591 28.119 28.738 -0.047 0.000 0.905 770 Q HN 0.269 nan 8.270 nan 0.000 0.420 771 S N -0.163 115.532 115.700 -0.009 0.000 2.399 771 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 771 S C 1.795 176.386 174.600 -0.016 0.000 1.022 771 S CA 0.976 59.162 58.200 -0.023 0.000 0.983 771 S CB -0.459 62.723 63.200 -0.029 0.000 0.803 771 S HN 0.611 nan 8.310 nan 0.000 0.480 772 A N 0.654 123.476 122.820 0.004 0.000 2.067 772 A HA 0.193 4.513 4.320 -0.000 0.000 0.217 772 A C 1.979 179.538 177.584 -0.041 0.000 1.156 772 A CA 0.723 52.751 52.037 -0.015 0.000 0.683 772 A CB -0.345 18.660 19.000 0.009 0.000 0.808 772 A HN 0.462 nan 8.150 nan 0.000 0.455 773 M N -1.174 118.408 119.600 -0.030 0.000 2.501 773 M HA 0.054 4.534 4.480 -0.000 0.000 0.261 773 M C 2.102 178.375 176.300 -0.044 0.000 1.129 773 M CA 0.794 56.064 55.300 -0.050 0.000 1.126 773 M CB -0.077 32.498 32.600 -0.041 0.000 1.359 773 M HN 0.483 nan 8.290 nan 0.000 0.471 774 G N 1.057 109.844 108.800 -0.021 0.000 2.498 774 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 774 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 774 G C 1.428 176.341 174.900 0.021 0.000 1.119 774 G CA 0.608 45.719 45.100 0.019 0.000 0.766 774 G HN 0.419 nan 8.290 nan 0.000 0.552 775 K N -0.394 119.986 120.400 -0.033 0.000 2.404 775 K HA 0.154 4.474 4.320 -0.000 0.000 0.194 775 K C 1.492 177.988 176.600 -0.173 0.000 1.023 775 K CA 0.153 56.402 56.287 -0.064 0.000 1.094 775 K CB 0.445 32.890 32.500 -0.093 0.000 0.841 775 K HN 0.301 nan 8.250 nan 0.000 0.523 776 Q N -0.097 119.609 119.800 -0.158 0.000 2.149 776 Q HA 0.243 4.583 4.340 -0.000 0.000 0.221 776 Q C -0.224 175.692 176.000 -0.140 0.000 0.807 776 Q CA -0.393 55.266 55.803 -0.240 0.000 1.000 776 Q CB 1.410 30.011 28.738 -0.230 0.000 1.157 776 Q HN 0.166 nan 8.270 nan 0.000 0.487 777 A N 0.927 123.716 122.820 -0.052 0.000 2.332 777 A HA 0.485 4.805 4.320 -0.000 0.000 0.258 777 A C -0.067 177.538 177.584 0.034 0.000 1.087 777 A CA -0.032 52.006 52.037 0.002 0.000 0.802 777 A CB 0.420 19.466 19.000 0.078 0.000 1.042 777 A HN 0.216 nan 8.150 nan 0.000 0.489 778 M N 0.230 119.859 119.600 0.048 0.000 2.573 778 M HA 0.633 5.113 4.480 -0.000 0.000 0.309 778 M C 0.545 176.900 176.300 0.091 0.000 1.202 778 M CA 0.398 55.741 55.300 0.072 0.000 0.975 778 M CB 2.134 34.774 32.600 0.067 0.000 1.600 778 M HN 1.101 nan 8.290 nan 0.000 0.479 779 G N -0.160 108.686 108.800 0.077 0.000 2.343 779 G HA2 0.249 4.209 3.960 -0.000 0.000 0.289 779 G HA3 0.249 4.209 3.960 -0.000 0.000 0.289 779 G C -1.848 173.057 174.900 0.009 0.000 1.295 779 G CA -1.010 44.108 45.100 0.031 0.000 0.869 779 G HN 0.560 nan 8.290 nan 0.000 0.522 780 V N 1.699 121.564 119.914 -0.081 0.000 2.372 780 V HA 0.366 4.486 4.120 -0.000 0.000 0.261 780 V C 1.307 177.339 176.094 -0.102 0.000 1.055 780 V CA 0.285 62.492 62.300 -0.156 0.000 0.930 780 V CB -0.088 31.589 31.823 -0.244 0.000 1.031 780 V HN 0.877 nan 8.190 nan 0.000 0.479 781 F N 3.709 123.601 119.950 -0.096 0.000 2.661 781 F HA 0.538 5.065 4.527 -0.000 0.000 0.298 781 F C 0.282 176.094 175.800 0.019 0.000 1.137 781 F CA 0.107 58.102 58.000 -0.007 0.000 1.454 781 F CB 0.088 39.082 39.000 -0.010 0.000 1.103 781 F HN 0.280 nan 8.300 nan 0.000 0.577 782 L N 0.825 121.521 121.223 -0.878 0.000 2.666 782 L HA 0.102 4.442 4.340 -0.000 0.000 0.259 782 L C 1.044 177.663 176.870 -0.419 0.000 0.919 782 L CA -0.174 54.291 54.840 -0.626 0.000 0.927 782 L CB 2.033 43.689 42.059 -0.672 0.000 1.423 782 L HN 0.115 nan 8.230 nan 0.000 0.426 783 T N -2.299 112.116 114.554 -0.231 0.000 2.946 783 T HA -0.121 4.229 4.350 -0.000 0.000 0.271 783 T C 0.891 175.545 174.700 -0.076 0.000 1.104 783 T CA 1.495 63.549 62.100 -0.077 0.000 1.114 783 T CB -0.406 68.490 68.868 0.047 0.000 0.867 783 T HN 0.659 nan 8.240 nan 0.000 0.513 784 N N 0.819 119.429 118.700 -0.150 0.000 2.380 784 N HA 0.031 4.771 4.740 -0.000 0.000 0.255 784 N C 0.969 176.333 175.510 -0.244 0.000 1.158 784 N CA -0.638 52.302 53.050 -0.183 0.000 0.878 784 N CB -0.765 37.652 38.487 -0.117 0.000 1.138 784 N HN 0.716 nan 8.380 nan 0.000 0.509 785 Y N -0.752 119.350 120.300 -0.331 0.000 2.403 785 Y HA 0.033 4.583 4.550 -0.000 0.000 0.291 785 Y C 1.714 177.462 175.900 -0.253 0.000 1.143 785 Y CA 0.873 58.810 58.100 -0.273 0.000 1.257 785 Y CB -0.661 37.663 38.460 -0.227 0.000 0.984 785 Y HN 0.066 nan 8.280 nan 0.000 0.550 786 N N 0.642 118.832 118.700 -0.851 0.000 2.409 786 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 786 N C 0.945 176.229 175.510 -0.377 0.000 1.032 786 N CA 1.054 53.676 53.050 -0.714 0.000 0.898 786 N CB -0.033 38.000 38.487 -0.756 0.000 0.971 786 N HN 0.293 nan 8.380 nan 0.000 0.441 787 V N 0.125 119.873 119.914 -0.276 0.000 3.647 787 V HA 0.258 4.378 4.120 -0.000 0.000 0.279 787 V C 0.234 176.265 176.094 -0.105 0.000 1.314 787 V CA 0.178 62.381 62.300 -0.161 0.000 1.125 787 V CB -0.443 31.306 31.823 -0.124 0.000 0.907 787 V HN 0.137 nan 8.190 nan 0.000 0.434 788 R N 0.905 121.344 120.500 -0.102 0.000 2.387 788 R HA 0.583 4.923 4.340 -0.000 0.000 0.314 788 R C -0.552 175.717 176.300 -0.053 0.000 0.958 788 R CA -0.426 55.654 56.100 -0.035 0.000 0.846 788 R CB 1.488 31.812 30.300 0.040 0.000 1.147 788 R HN 0.117 nan 8.270 nan 0.000 0.447 789 M N 4.387 123.970 119.600 -0.029 0.000 2.152 789 M HA 0.206 4.686 4.480 -0.000 0.000 0.354 789 M C -1.089 175.195 176.300 -0.026 0.000 1.173 789 M CA -0.607 54.672 55.300 -0.036 0.000 1.110 789 M CB 0.406 33.002 32.600 -0.007 0.000 1.366 789 M HN 0.585 nan 8.290 nan 0.000 0.415 790 D N 0.683 121.048 120.400 -0.060 0.000 2.645 790 D HA 0.315 4.955 4.640 -0.000 0.000 0.228 790 D C -0.528 175.696 176.300 -0.128 0.000 1.148 790 D CA -0.640 53.313 54.000 -0.078 0.000 0.860 790 D CB 0.533 41.281 40.800 -0.087 0.000 1.548 790 D HN 0.312 nan 8.370 nan 0.000 0.460 791 T N 0.440 114.917 114.554 -0.128 0.000 2.642 791 T HA 0.223 4.573 4.350 -0.000 0.000 0.258 791 T C 0.776 175.370 174.700 -0.178 0.000 1.022 791 T CA -0.240 61.767 62.100 -0.156 0.000 1.266 791 T CB -1.051 67.748 68.868 -0.114 0.000 0.987 791 T HN 0.505 nan 8.240 nan 0.000 0.518 792 M N 0.396 119.862 119.600 -0.222 0.000 4.047 792 M HA -0.125 4.355 4.480 -0.000 0.000 0.157 792 M C -0.268 175.909 176.300 -0.205 0.000 1.532 792 M CA 0.560 55.721 55.300 -0.231 0.000 1.097 792 M CB -1.108 31.475 32.600 -0.028 0.000 1.346 792 M HN 0.991 nan 8.290 nan 0.000 0.190 793 A N 4.161 126.895 122.820 -0.144 0.000 2.488 793 A HA 0.765 5.085 4.320 -0.000 0.000 0.295 793 A C -0.984 176.670 177.584 0.117 0.000 1.045 793 A CA -0.836 51.145 52.037 -0.093 0.000 0.703 793 A CB 1.471 20.473 19.000 0.004 0.000 1.271 793 A HN 0.745 nan 8.150 nan 0.000 0.400 794 N N 1.534 120.284 118.700 0.082 0.000 2.417 794 N HA 0.599 5.339 4.740 -0.000 0.000 0.274 794 N C -1.534 174.045 175.510 0.115 0.000 0.987 794 N CA -0.164 52.980 53.050 0.158 0.000 0.912 794 N CB 1.746 40.319 38.487 0.142 0.000 1.177 794 N HN 0.498 nan 8.380 nan 0.000 0.490 795 I N 2.125 122.749 120.570 0.091 0.000 2.608 795 I HA 0.315 4.485 4.170 -0.000 0.000 0.295 795 I C -0.353 175.775 176.117 0.018 0.000 1.049 795 I CA -0.649 60.631 61.300 -0.032 0.000 1.063 795 I CB 1.926 39.720 38.000 -0.343 0.000 1.248 795 I HN 0.279 nan 8.210 nan 0.000 0.424 796 L N 5.552 126.786 121.223 0.018 0.000 2.349 796 L HA 0.217 4.557 4.340 -0.000 0.000 0.275 796 L C 0.531 177.446 176.870 0.075 0.000 1.115 796 L CA 0.471 55.375 54.840 0.107 0.000 0.820 796 L CB 0.384 42.509 42.059 0.111 0.000 1.135 796 L HN 0.496 nan 8.230 nan 0.000 0.445 797 Y N 3.487 123.752 120.300 -0.058 0.000 2.145 797 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 797 Y C 0.287 175.886 175.900 -0.502 0.000 1.145 797 Y CA 1.704 59.650 58.100 -0.257 0.000 1.148 797 Y CB -0.108 38.255 38.460 -0.162 0.000 0.981 797 Y HN 0.479 nan 8.280 nan 0.000 0.507 798 Y N -0.685 119.714 120.300 0.165 0.000 2.584 798 Y HA 0.367 4.917 4.550 -0.000 0.000 0.358 798 Y C -2.448 173.461 175.900 0.015 0.000 1.028 798 Y CA -3.063 55.075 58.100 0.063 0.000 1.148 798 Y CB 0.289 38.774 38.460 0.041 0.000 1.126 798 Y HN -0.112 nan 8.280 nan 0.000 0.658 799 P HA 0.057 nan 4.420 nan 0.000 0.266 799 P C -0.532 176.814 177.300 0.076 0.000 1.195 799 P CA 0.267 63.404 63.100 0.062 0.000 0.768 799 P CB 0.694 32.390 31.700 -0.007 0.000 0.838 800 Q N 1.582 121.449 119.800 0.112 0.000 2.356 800 Q HA 0.258 4.598 4.340 -0.000 0.000 0.270 800 Q C -0.295 175.847 176.000 0.237 0.000 1.058 800 Q CA -1.106 54.782 55.803 0.142 0.000 0.802 800 Q CB 2.253 31.065 28.738 0.124 0.000 1.303 800 Q HN 0.378 nan 8.270 nan 0.000 0.444 801 K N 1.764 122.241 120.400 0.127 0.000 2.326 801 K HA 0.365 4.685 4.320 -0.000 0.000 0.275 801 K C -2.391 174.263 176.600 0.090 0.000 1.018 801 K CA -1.467 54.871 56.287 0.085 0.000 0.962 801 K CB 0.288 32.801 32.500 0.022 0.000 0.953 801 K HN 0.190 nan 8.250 nan 0.000 0.475 802 P HA -0.005 nan 4.420 nan 0.000 0.271 802 P C 0.523 177.761 177.300 -0.104 0.000 1.216 802 P CA -0.185 62.745 63.100 -0.283 0.000 0.771 802 P CB 0.815 31.981 31.700 -0.889 0.000 0.864 803 L N 1.664 122.883 121.223 -0.005 0.000 2.265 803 L HA -0.030 4.310 4.340 -0.000 0.000 0.215 803 L C 1.558 178.381 176.870 -0.078 0.000 1.117 803 L CA 1.331 56.155 54.840 -0.026 0.000 0.782 803 L CB -0.683 41.377 42.059 0.001 0.000 0.914 803 L HN 0.527 nan 8.230 nan 0.000 0.441 804 G N 0.120 108.849 108.800 -0.118 0.000 2.547 804 G HA2 0.432 4.392 3.960 -0.000 0.000 0.327 804 G HA3 0.432 4.392 3.960 -0.000 0.000 0.327 804 G C -0.009 174.722 174.900 -0.281 0.000 1.118 804 G CA -0.185 44.807 45.100 -0.179 0.000 1.022 804 G HN 0.087 nan 8.290 nan 0.000 0.464 805 T N -0.827 113.561 114.554 -0.276 0.000 2.910 805 T HA 0.793 5.143 4.350 -0.000 0.000 0.279 805 T C -0.030 174.460 174.700 -0.350 0.000 0.989 805 T CA -0.656 61.258 62.100 -0.311 0.000 0.968 805 T CB 2.120 70.843 68.868 -0.243 0.000 1.135 805 T HN 0.210 nan 8.240 nan 0.000 0.562 806 T N 1.073 115.420 114.554 -0.344 0.000 2.881 806 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 806 T C 0.847 175.324 174.700 -0.371 0.000 1.000 806 T CA -0.850 61.044 62.100 -0.344 0.000 0.978 806 T CB 1.750 70.434 68.868 -0.305 0.000 0.997 806 T HN 0.448 nan 8.240 nan 0.000 0.443 807 R N 1.623 121.819 120.500 -0.505 0.000 2.397 807 R HA 0.006 4.346 4.340 -0.000 0.000 0.213 807 R C 1.334 177.249 176.300 -0.642 0.000 1.102 807 R CA 0.340 55.955 56.100 -0.810 0.000 1.040 807 R CB -0.717 28.652 30.300 -1.553 0.000 0.844 807 R HN 0.701 nan 8.270 nan 0.000 0.478 808 A N -1.195 121.468 122.820 -0.262 0.000 2.431 808 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 808 A C 1.634 179.204 177.584 -0.024 0.000 1.230 808 A CA -0.304 51.787 52.037 0.090 0.000 0.928 808 A CB 0.184 19.288 19.000 0.173 0.000 1.006 808 A HN 0.129 nan 8.150 nan 0.000 0.520 809 M N -0.867 118.629 119.600 -0.173 0.000 2.476 809 M HA 0.013 4.493 4.480 -0.000 0.000 0.262 809 M C 1.826 178.026 176.300 -0.167 0.000 1.111 809 M CA 0.948 56.163 55.300 -0.142 0.000 1.127 809 M CB 0.030 32.520 32.600 -0.184 0.000 1.376 809 M HN 0.636 nan 8.290 nan 0.000 0.465 810 E N 0.436 120.414 120.200 -0.370 0.000 2.153 810 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 810 E C 1.194 177.443 176.600 -0.586 0.000 0.988 810 E CA 1.520 57.610 56.400 -0.515 0.000 0.811 810 E CB 0.115 29.374 29.700 -0.735 0.000 0.746 810 E HN 0.599 nan 8.360 nan 0.000 0.466 811 Y N -0.401 119.829 120.300 -0.117 0.000 2.476 811 Y HA 0.128 4.678 4.550 -0.000 0.000 0.283 811 Y C 1.707 177.530 175.900 -0.129 0.000 1.109 811 Y CA 0.169 58.136 58.100 -0.223 0.000 1.246 811 Y CB 0.243 38.290 38.460 -0.688 0.000 1.068 811 Y HN -0.020 nan 8.280 nan 0.000 0.552 812 L N 0.615 121.853 121.223 0.026 0.000 2.645 812 L HA 0.008 4.348 4.340 -0.000 0.000 0.235 812 L C 0.426 177.470 176.870 0.289 0.000 1.150 812 L CA 0.296 55.216 54.840 0.134 0.000 0.911 812 L CB -0.275 41.847 42.059 0.106 0.000 1.077 812 L HN 0.154 nan 8.230 nan 0.000 0.438 813 K N -1.461 119.056 120.400 0.194 0.000 2.971 813 K HA -0.292 4.028 4.320 -0.000 0.000 0.265 813 K C 0.945 177.595 176.600 0.082 0.000 1.052 813 K CA 0.858 57.241 56.287 0.160 0.000 0.780 813 K CB -2.329 30.302 32.500 0.217 0.000 1.214 813 K HN 0.268 nan 8.250 nan 0.000 0.478 814 F N 1.693 121.645 119.950 0.004 0.000 2.065 814 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 814 F C 2.327 178.077 175.800 -0.084 0.000 1.112 814 F CA 1.880 59.861 58.000 -0.031 0.000 1.212 814 F CB 0.014 38.969 39.000 -0.075 0.000 0.975 814 F HN 0.102 nan 8.300 nan 0.000 0.476 815 R N -0.152 120.396 120.500 0.080 0.000 2.200 815 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 815 R C 1.660 177.904 176.300 -0.094 0.000 1.127 815 R CA 1.513 57.609 56.100 -0.006 0.000 0.989 815 R CB -0.489 29.806 30.300 -0.007 0.000 0.869 815 R HN 0.340 nan 8.270 nan 0.000 0.459 816 E N 0.127 120.248 120.200 -0.133 0.000 2.190 816 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 816 E C 0.464 176.809 176.600 -0.427 0.000 0.978 816 E CA 0.665 56.947 56.400 -0.196 0.000 0.839 816 E CB 0.407 30.081 29.700 -0.042 0.000 0.787 816 E HN 0.157 nan 8.360 nan 0.000 0.473 817 L N 1.699 122.617 121.223 -0.509 0.000 2.783 817 L HA 0.322 4.662 4.340 -0.000 0.000 0.265 817 L C -2.401 174.165 176.870 -0.507 0.000 1.398 817 L CA -1.612 52.905 54.840 -0.537 0.000 0.802 817 L CB 1.003 42.639 42.059 -0.705 0.000 1.126 817 L HN -0.095 nan 8.230 nan 0.000 0.529 818 P HA 0.072 nan 4.420 nan 0.000 0.268 818 P C -0.459 176.649 177.300 -0.320 0.000 1.208 818 P CA -0.062 62.676 63.100 -0.603 0.000 0.777 818 P CB 1.442 33.031 31.700 -0.186 0.000 0.875 819 A N 1.550 124.252 122.820 -0.197 0.000 2.763 819 A HA 0.699 5.019 4.320 -0.000 0.000 0.325 819 A C 0.083 177.858 177.584 0.319 0.000 1.209 819 A CA -0.001 52.088 52.037 0.086 0.000 0.764 819 A CB 0.090 19.144 19.000 0.091 0.000 1.120 819 A HN 0.847 nan 8.150 nan 0.000 0.463 820 G N 0.388 109.316 108.800 0.212 0.000 2.333 820 G HA2 0.372 4.332 3.960 -0.000 0.000 0.330 820 G HA3 0.372 4.332 3.960 -0.000 0.000 0.330 820 G C -1.364 173.336 174.900 -0.332 0.000 1.465 820 G CA -0.834 44.219 45.100 -0.078 0.000 0.996 820 G HN 0.712 nan 8.290 nan 0.000 0.655 821 Q N -0.660 118.900 119.800 -0.400 0.000 2.351 821 Q HA 0.496 4.836 4.340 -0.000 0.000 0.273 821 Q C -0.448 175.330 176.000 -0.371 0.000 1.077 821 Q CA -1.044 54.511 55.803 -0.414 0.000 0.843 821 Q CB 1.636 29.896 28.738 -0.795 0.000 1.367 821 Q HN 0.400 nan 8.270 nan 0.000 0.449 822 N N 1.079 119.692 118.700 -0.146 0.000 3.083 822 N HA 0.282 5.022 4.740 -0.000 0.000 0.260 822 N C -1.354 174.097 175.510 -0.098 0.000 1.163 822 N CA 0.046 53.092 53.050 -0.007 0.000 1.060 822 N CB 0.785 39.328 38.487 0.093 0.000 1.345 822 N HN 0.533 nan 8.380 nan 0.000 0.515 823 A N 2.120 124.861 122.820 -0.132 0.000 2.371 823 A HA 0.358 4.678 4.320 -0.000 0.000 0.257 823 A C 0.473 177.943 177.584 -0.190 0.000 1.089 823 A CA -0.383 51.542 52.037 -0.186 0.000 0.794 823 A CB 0.506 19.382 19.000 -0.206 0.000 1.029 823 A HN 0.408 nan 8.150 nan 0.000 0.488 824 I N 3.342 123.783 120.570 -0.215 0.000 2.347 824 I HA 0.155 4.325 4.170 -0.000 0.000 0.294 824 I C 0.004 175.846 176.117 -0.459 0.000 1.090 824 I CA 0.289 61.407 61.300 -0.302 0.000 1.314 824 I CB -0.134 37.749 38.000 -0.194 0.000 1.423 824 I HN 0.217 nan 8.210 nan 0.000 0.503 825 V N 5.706 125.317 119.914 -0.505 0.000 2.612 825 V HA 0.770 4.890 4.120 -0.000 0.000 0.301 825 V C 0.392 176.123 176.094 -0.606 0.000 1.046 825 V CA -0.724 61.290 62.300 -0.477 0.000 0.946 825 V CB 1.882 33.520 31.823 -0.309 0.000 1.003 825 V HN 0.842 nan 8.190 nan 0.000 0.459 826 A N 4.621 127.200 122.820 -0.402 0.000 2.357 826 A HA 0.744 5.064 4.320 -0.000 0.000 0.295 826 A C -0.720 176.817 177.584 -0.078 0.000 1.121 826 A CA -0.487 51.400 52.037 -0.251 0.000 0.742 826 A CB 0.653 19.577 19.000 -0.127 0.000 1.181 826 A HN 0.753 nan 8.150 nan 0.000 0.454 827 I N 2.671 123.245 120.570 0.007 0.000 2.294 827 I HA 0.462 4.632 4.170 -0.000 0.000 0.295 827 I C 0.532 176.657 176.117 0.014 0.000 1.098 827 I CA 0.475 61.780 61.300 0.008 0.000 1.277 827 I CB 0.547 38.548 38.000 0.002 0.000 1.434 827 I HN 0.746 nan 8.210 nan 0.000 0.498 828 A N 5.162 127.990 122.820 0.013 0.000 2.594 828 A HA 0.446 4.766 4.320 -0.000 0.000 0.296 828 A C -1.066 176.562 177.584 0.072 0.000 1.061 828 A CA -0.494 51.565 52.037 0.037 0.000 0.689 828 A CB 1.098 20.126 19.000 0.047 0.000 1.280 828 A HN 0.593 nan 8.150 nan 0.000 0.406 829 C N 2.683 122.029 119.300 0.077 0.000 2.520 829 C HA 0.477 4.937 4.460 -0.000 0.000 0.369 829 C C 0.639 175.766 174.990 0.227 0.000 1.244 829 C CA 0.330 59.415 59.018 0.113 0.000 1.677 829 C CB -1.920 25.858 27.740 0.062 0.000 2.324 829 C HN 0.792 nan 8.230 nan 0.000 0.557 830 Y N 2.426 122.768 120.300 0.071 0.000 3.056 830 Y HA 0.194 4.744 4.550 -0.000 0.000 0.294 830 Y C 2.294 178.273 175.900 0.132 0.000 1.275 830 Y CA 0.692 58.842 58.100 0.084 0.000 1.148 830 Y CB -0.535 37.998 38.460 0.122 0.000 1.085 830 Y HN 0.525 nan 8.280 nan 0.000 0.747 831 S N 0.205 115.996 115.700 0.152 0.000 2.584 831 S HA 0.067 4.537 4.470 -0.000 0.000 0.240 831 S C 1.473 176.253 174.600 0.301 0.000 0.975 831 S CA 0.883 59.197 58.200 0.190 0.000 0.949 831 S CB -1.094 62.394 63.200 0.480 0.000 0.761 831 S HN 1.327 nan 8.310 nan 0.000 0.536 832 G N -0.114 108.821 108.800 0.226 0.000 2.143 832 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.248 832 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.248 832 G C -0.020 174.907 174.900 0.044 0.000 0.991 832 G CA 0.373 45.543 45.100 0.116 0.000 0.689 832 G HN 0.617 nan 8.290 nan 0.000 0.522 833 Y N 0.997 121.345 120.300 0.079 0.000 2.811 833 Y HA 0.389 4.939 4.550 -0.000 0.000 0.330 833 Y C 1.104 177.013 175.900 0.016 0.000 1.081 833 Y CA -0.115 58.005 58.100 0.034 0.000 1.408 833 Y CB 0.418 38.876 38.460 -0.004 0.000 1.235 833 Y HN 0.468 nan 8.280 nan 0.000 0.529 834 N N -1.556 117.215 118.700 0.118 0.000 2.581 834 N HA 0.094 4.834 4.740 -0.000 0.000 0.274 834 N C -0.811 174.741 175.510 0.069 0.000 1.629 834 N CA -0.289 52.814 53.050 0.089 0.000 0.884 834 N CB -0.377 38.168 38.487 0.096 0.000 1.423 834 N HN 0.206 nan 8.380 nan 0.000 0.507 835 Q N 0.224 120.049 119.800 0.042 0.000 2.166 835 Q HA 0.372 4.712 4.340 -0.000 0.000 0.226 835 Q C -0.234 175.781 176.000 0.024 0.000 0.989 835 Q CA -0.605 55.222 55.803 0.039 0.000 0.966 835 Q CB 0.725 29.469 28.738 0.009 0.000 1.173 835 Q HN 0.132 nan 8.270 nan 0.000 0.509 836 E N 2.037 122.248 120.200 0.017 0.000 2.122 836 E HA -0.307 4.043 4.350 -0.000 0.000 0.198 836 E C -0.952 175.656 176.600 0.014 0.000 1.352 836 E CA 1.356 57.759 56.400 0.005 0.000 0.705 836 E CB -1.460 28.230 29.700 -0.015 0.000 1.084 836 E HN 0.735 nan 8.360 nan 0.000 0.337 837 D N -2.393 118.026 120.400 0.032 0.000 3.090 837 D HA -0.157 4.483 4.640 -0.000 0.000 0.215 837 D C -0.156 176.173 176.300 0.048 0.000 1.140 837 D CA 1.423 55.447 54.000 0.040 0.000 0.937 837 D CB -1.628 39.188 40.800 0.025 0.000 1.108 837 D HN 0.501 nan 8.370 nan 0.000 0.420 838 S N -0.042 115.685 115.700 0.045 0.000 2.541 838 S HA 0.717 5.187 4.470 -0.000 0.000 0.283 838 S C 0.405 175.041 174.600 0.060 0.000 1.196 838 S CA -0.938 57.293 58.200 0.051 0.000 1.062 838 S CB 2.413 65.636 63.200 0.039 0.000 1.009 838 S HN 0.306 nan 8.310 nan 0.000 0.502 839 M N 1.517 121.153 119.600 0.060 0.000 2.598 839 M HA 0.626 5.106 4.480 -0.000 0.000 0.317 839 M C -1.379 174.918 176.300 -0.006 0.000 1.179 839 M CA -0.872 54.446 55.300 0.031 0.000 0.936 839 M CB 1.181 33.794 32.600 0.021 0.000 1.713 839 M HN 0.510 nan 8.290 nan 0.000 0.460 840 I N 2.841 123.395 120.570 -0.027 0.000 2.331 840 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 840 I C -0.504 175.554 176.117 -0.097 0.000 0.998 840 I CA -0.309 60.948 61.300 -0.072 0.000 1.267 840 I CB 1.600 39.590 38.000 -0.016 0.000 1.386 840 I HN 0.769 nan 8.210 nan 0.000 0.476 841 M N 5.941 125.472 119.600 -0.115 0.000 2.456 841 M HA 0.351 4.831 4.480 -0.000 0.000 0.324 841 M C -0.356 175.912 176.300 -0.054 0.000 1.124 841 M CA -0.691 54.540 55.300 -0.114 0.000 0.959 841 M CB 1.638 34.148 32.600 -0.150 0.000 1.692 841 M HN 0.453 nan 8.290 nan 0.000 0.444 842 N N 2.811 121.489 118.700 -0.037 0.000 2.406 842 N HA -0.048 4.692 4.740 -0.000 0.000 0.274 842 N C 0.566 176.080 175.510 0.007 0.000 1.249 842 N CA 0.296 53.352 53.050 0.011 0.000 0.951 842 N CB 0.744 39.228 38.487 -0.006 0.000 1.241 842 N HN 0.661 nan 8.380 nan 0.000 0.485 843 Q N 2.320 122.140 119.800 0.033 0.000 2.234 843 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 843 Q C 1.129 177.138 176.000 0.014 0.000 0.980 843 Q CA 1.649 57.466 55.803 0.024 0.000 0.869 843 Q CB -0.081 28.682 28.738 0.042 0.000 0.912 843 Q HN 0.664 nan 8.270 nan 0.000 0.436 844 S N -0.244 115.467 115.700 0.019 0.000 2.345 844 S HA -0.149 4.321 4.470 -0.000 0.000 0.220 844 S C 1.883 176.472 174.600 -0.018 0.000 1.031 844 S CA 1.310 59.512 58.200 0.004 0.000 0.996 844 S CB -0.573 62.634 63.200 0.013 0.000 0.882 844 S HN 0.727 nan 8.310 nan 0.000 0.445 845 S N 1.553 117.237 115.700 -0.028 0.000 2.469 845 S HA 0.043 4.513 4.470 -0.000 0.000 0.238 845 S C 1.701 176.265 174.600 -0.060 0.000 0.998 845 S CA 0.599 58.764 58.200 -0.057 0.000 0.957 845 S CB -0.705 62.449 63.200 -0.076 0.000 0.764 845 S HN 0.452 nan 8.310 nan 0.000 0.514 846 I N 1.984 122.534 120.570 -0.034 0.000 2.233 846 I HA -0.127 4.043 4.170 -0.000 0.000 0.243 846 I C 2.085 178.183 176.117 -0.031 0.000 1.093 846 I CA 1.469 62.757 61.300 -0.020 0.000 1.380 846 I CB -0.590 37.413 38.000 0.004 0.000 1.067 846 I HN 0.199 nan 8.210 nan 0.000 0.413 847 D N 1.031 121.416 120.400 -0.025 0.000 2.158 847 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 847 D C 2.101 178.378 176.300 -0.038 0.000 0.995 847 D CA 1.147 55.133 54.000 -0.025 0.000 0.846 847 D CB -0.217 40.574 40.800 -0.016 0.000 0.941 847 D HN 0.276 nan 8.370 nan 0.000 0.456 848 R N -0.754 119.714 120.500 -0.054 0.000 2.323 848 R HA 0.204 4.544 4.340 -0.000 0.000 0.198 848 R C 1.247 177.480 176.300 -0.112 0.000 0.988 848 R CA 0.738 56.791 56.100 -0.079 0.000 1.041 848 R CB 0.397 30.642 30.300 -0.092 0.000 0.926 848 R HN 0.269 nan 8.270 nan 0.000 0.476 849 G N 1.012 109.760 108.800 -0.086 0.000 2.211 849 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.201 849 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.201 849 G C -0.001 174.865 174.900 -0.057 0.000 0.997 849 G CA -0.390 44.669 45.100 -0.068 0.000 0.652 849 G HN 0.230 nan 8.290 nan 0.000 0.500 850 L N 1.532 122.689 121.223 -0.110 0.000 2.640 850 L HA 0.502 4.842 4.340 -0.000 0.000 0.280 850 L C 1.023 177.880 176.870 -0.021 0.000 1.229 850 L CA 0.932 55.663 54.840 -0.181 0.000 0.919 850 L CB -0.660 41.279 42.059 -0.200 0.000 1.168 850 L HN 0.615 nan 8.230 nan 0.000 0.496 851 F N 3.239 123.211 119.950 0.038 0.000 3.027 851 F HA -0.289 4.238 4.527 -0.000 0.000 0.276 851 F C 0.867 176.714 175.800 0.078 0.000 0.967 851 F CA 0.435 58.498 58.000 0.105 0.000 0.929 851 F CB -0.910 38.207 39.000 0.194 0.000 0.873 851 F HN 0.597 nan 8.300 nan 0.000 0.787 852 R N 0.420 121.006 120.500 0.144 0.000 2.598 852 R HA 0.761 5.101 4.340 -0.000 0.000 0.279 852 R C 0.110 176.484 176.300 0.123 0.000 0.984 852 R CA -0.047 56.020 56.100 -0.055 0.000 0.999 852 R CB 2.066 32.014 30.300 -0.587 0.000 1.114 852 R HN 0.247 nan 8.270 nan 0.000 0.493 853 S N 1.351 117.151 115.700 0.167 0.000 2.607 853 S HA 0.544 5.014 4.470 -0.000 0.000 0.273 853 S C -0.742 174.034 174.600 0.293 0.000 1.148 853 S CA -0.992 57.388 58.200 0.301 0.000 0.833 853 S CB 1.235 64.536 63.200 0.169 0.000 1.130 853 S HN 0.364 nan 8.310 nan 0.000 0.470 854 L N 1.269 122.602 121.223 0.182 0.000 2.387 854 L HA 0.730 5.070 4.340 -0.000 0.000 0.266 854 L C -1.014 175.826 176.870 -0.049 0.000 1.059 854 L CA -0.862 53.959 54.840 -0.032 0.000 0.801 854 L CB 1.201 43.120 42.059 -0.234 0.000 1.223 854 L HN 0.788 nan 8.230 nan 0.000 0.456 855 F N 1.982 121.688 119.950 -0.407 0.000 2.828 855 F HA 0.505 5.032 4.527 -0.000 0.000 0.355 855 F C -1.447 174.167 175.800 -0.311 0.000 1.200 855 F CA -0.829 57.029 58.000 -0.237 0.000 1.062 855 F CB 0.687 39.615 39.000 -0.119 0.000 1.351 855 F HN 0.053 nan 8.300 nan 0.000 0.504 856 F N 5.008 124.629 119.950 -0.549 0.000 2.404 856 F HA 0.649 5.176 4.527 -0.000 0.000 0.339 856 F C 0.260 175.569 175.800 -0.818 0.000 1.105 856 F CA -0.666 57.026 58.000 -0.514 0.000 1.087 856 F CB 1.458 40.333 39.000 -0.209 0.000 1.143 856 F HN 0.380 nan 8.300 nan 0.000 0.491 857 R N 1.381 121.614 120.500 -0.445 0.000 2.514 857 R HA 0.487 4.827 4.340 -0.000 0.000 0.296 857 R C -1.531 174.579 176.300 -0.317 0.000 1.012 857 R CA -0.510 55.309 56.100 -0.467 0.000 0.897 857 R CB 1.672 31.679 30.300 -0.488 0.000 1.184 857 R HN 0.821 nan 8.270 nan 0.000 0.440 858 S N 3.407 118.927 115.700 -0.300 0.000 2.456 858 S HA 0.455 4.925 4.470 -0.000 0.000 0.316 858 S C -0.776 173.687 174.600 -0.228 0.000 1.089 858 S CA -0.777 57.322 58.200 -0.169 0.000 1.101 858 S CB 0.725 63.876 63.200 -0.081 0.000 0.995 858 S HN 0.388 nan 8.310 nan 0.000 0.468 859 Y N 2.390 122.656 120.300 -0.058 0.000 2.354 859 Y HA 0.700 5.250 4.550 -0.000 0.000 0.322 859 Y C 0.472 176.310 175.900 -0.103 0.000 1.253 859 Y CA -1.230 56.834 58.100 -0.060 0.000 1.272 859 Y CB 0.952 39.383 38.460 -0.049 0.000 1.255 859 Y HN 0.649 nan 8.280 nan 0.000 0.500 860 M N 1.828 121.452 119.600 0.040 0.000 2.569 860 M HA 0.471 4.951 4.480 -0.000 0.000 0.279 860 M C -2.423 173.818 176.300 -0.098 0.000 1.253 860 M CA -0.336 54.886 55.300 -0.130 0.000 0.867 860 M CB 2.940 35.403 32.600 -0.228 0.000 1.727 860 M HN 0.840 nan 8.290 nan 0.000 0.467 861 D N 0.839 121.134 120.400 -0.176 0.000 2.639 861 D HA 0.488 5.128 4.640 -0.000 0.000 0.271 861 D C -1.673 174.692 176.300 0.109 0.000 1.254 861 D CA 0.024 54.041 54.000 0.028 0.000 0.810 861 D CB 2.307 43.219 40.800 0.187 0.000 1.351 861 D HN 0.761 nan 8.370 nan 0.000 0.427 862 Q N -0.051 119.851 119.800 0.171 0.000 3.146 862 Q HA 0.540 4.880 4.340 -0.000 0.000 0.318 862 Q C -0.882 175.078 176.000 -0.067 0.000 0.992 862 Q CA -0.818 55.093 55.803 0.181 0.000 0.809 862 Q CB 2.076 30.943 28.738 0.216 0.000 1.490 862 Q HN 0.224 nan 8.270 nan 0.000 0.493 863 E N 1.494 121.644 120.200 -0.083 0.000 2.218 863 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 863 E C -1.100 175.452 176.600 -0.080 0.000 0.879 863 E CA -0.460 55.826 56.400 -0.190 0.000 0.762 863 E CB 2.016 31.571 29.700 -0.241 0.000 1.166 863 E HN 0.597 nan 8.360 nan 0.000 0.415 864 K N 2.420 122.773 120.400 -0.077 0.000 2.403 864 K HA -0.325 3.995 4.320 -0.000 0.000 0.203 864 K C -0.672 175.919 176.600 -0.015 0.000 1.500 864 K CA 1.159 57.426 56.287 -0.033 0.000 0.779 864 K CB -0.240 32.248 32.500 -0.021 0.000 0.682 864 K HN 0.514 nan 8.250 nan 0.000 0.958 865 K N -2.458 117.945 120.400 0.005 0.000 2.303 865 K HA 0.187 4.507 4.320 -0.000 0.000 0.258 865 K C -0.850 175.809 176.600 0.100 0.000 0.846 865 K CA -0.497 55.786 56.287 -0.006 0.000 0.686 865 K CB 0.557 33.039 32.500 -0.030 0.000 1.425 865 K HN 0.471 nan 8.250 nan 0.000 0.345 866 Y N 1.342 121.646 120.300 0.008 0.000 2.547 866 Y HA 0.086 4.636 4.550 -0.000 0.000 0.338 866 Y C 0.569 176.471 175.900 0.003 0.000 1.239 866 Y CA -0.531 57.573 58.100 0.006 0.000 1.897 866 Y CB -0.071 38.393 38.460 0.007 0.000 1.808 866 Y HN 0.385 nan 8.280 nan 0.000 0.428 867 G N 3.934 112.826 108.800 0.154 0.000 2.683 867 G HA2 0.318 4.278 3.960 -0.000 0.000 0.299 867 G HA3 0.318 4.278 3.960 -0.000 0.000 0.299 867 G C -0.908 174.019 174.900 0.045 0.000 1.432 867 G CA -0.930 44.215 45.100 0.076 0.000 0.978 867 G HN 0.454 nan 8.290 nan 0.000 0.513 868 M N 3.535 123.148 119.600 0.022 0.000 2.513 868 M HA 0.190 4.670 4.480 -0.000 0.000 0.341 868 M C 1.181 177.487 176.300 0.010 0.000 1.689 868 M CA 0.945 56.250 55.300 0.007 0.000 1.202 868 M CB -0.071 32.527 32.600 -0.004 0.000 1.996 868 M HN 1.376 nan 8.290 nan 0.000 0.458 869 S N 3.267 118.974 115.700 0.011 0.000 3.473 869 S HA -0.177 4.293 4.470 -0.000 0.000 0.339 869 S C -0.298 174.307 174.600 0.008 0.000 1.148 869 S CA 1.111 59.316 58.200 0.008 0.000 0.969 869 S CB -2.665 60.538 63.200 0.004 0.000 0.936 869 S HN 0.808 nan 8.310 nan 0.000 0.530 870 I N 1.482 122.060 120.570 0.012 0.000 2.502 870 I HA 0.354 4.524 4.170 -0.000 0.000 0.276 870 I C 0.008 176.128 176.117 0.006 0.000 1.057 870 I CA -0.224 61.081 61.300 0.009 0.000 1.163 870 I CB 1.523 39.531 38.000 0.014 0.000 1.288 870 I HN 0.187 nan 8.210 nan 0.000 0.479 871 T N 3.765 118.315 114.554 -0.006 0.000 2.887 871 T HA 0.384 4.734 4.350 -0.000 0.000 0.288 871 T C -0.119 174.552 174.700 -0.047 0.000 1.021 871 T CA -0.736 61.350 62.100 -0.022 0.000 1.000 871 T CB 1.992 70.848 68.868 -0.020 0.000 1.034 871 T HN 0.370 nan 8.240 nan 0.000 0.467 872 E N 1.038 121.190 120.200 -0.080 0.000 2.371 872 E HA 0.535 4.885 4.350 -0.000 0.000 0.257 872 E C -0.471 176.023 176.600 -0.176 0.000 1.134 872 E CA -0.492 55.835 56.400 -0.122 0.000 0.919 872 E CB 0.751 30.358 29.700 -0.157 0.000 1.025 872 E HN 0.434 nan 8.360 nan 0.000 0.438 873 T N 1.131 115.574 114.554 -0.184 0.000 2.993 873 T HA 0.272 4.622 4.350 -0.000 0.000 0.312 873 T C -0.965 173.671 174.700 -0.107 0.000 1.115 873 T CA -0.685 61.316 62.100 -0.166 0.000 1.027 873 T CB 0.464 69.304 68.868 -0.048 0.000 1.116 873 T HN 0.261 nan 8.240 nan 0.000 0.464 874 F N 3.731 123.695 119.950 0.023 0.000 2.439 874 F HA 0.389 4.916 4.527 -0.000 0.000 0.356 874 F C 1.114 176.928 175.800 0.023 0.000 1.161 874 F CA -0.378 57.635 58.000 0.021 0.000 1.151 874 F CB 0.363 39.374 39.000 0.017 0.000 1.222 874 F HN 0.557 nan 8.300 nan 0.000 0.558 875 E N 2.113 122.443 120.200 0.216 0.000 2.375 875 E HA 0.211 4.561 4.350 -0.000 0.000 0.280 875 E C -1.546 175.125 176.600 0.119 0.000 0.972 875 E CA -1.345 55.133 56.400 0.131 0.000 0.782 875 E CB 1.543 31.293 29.700 0.084 0.000 1.229 875 E HN 0.309 nan 8.360 nan 0.000 0.439 876 K N 3.325 123.782 120.400 0.094 0.000 2.315 876 K HA 0.194 4.514 4.320 -0.000 0.000 0.291 876 K C -1.855 174.766 176.600 0.036 0.000 1.074 876 K CA -1.412 54.938 56.287 0.104 0.000 0.936 876 K CB 0.368 32.922 32.500 0.089 0.000 1.049 876 K HN 0.389 nan 8.250 nan 0.000 0.471 877 P HA -0.010 nan 4.420 nan 0.000 0.275 877 P C -1.178 176.033 177.300 -0.149 0.000 1.270 877 P CA -0.028 63.027 63.100 -0.075 0.000 0.791 877 P CB 0.536 32.184 31.700 -0.085 0.000 1.089 878 Q N -0.106 119.616 119.800 -0.130 0.000 4.082 878 Q HA 0.193 4.533 4.340 -0.000 0.000 0.180 878 Q C -0.129 175.809 176.000 -0.102 0.000 0.863 878 Q CA -0.696 55.030 55.803 -0.128 0.000 0.772 878 Q CB 1.180 29.871 28.738 -0.079 0.000 1.527 878 Q HN 0.333 nan 8.270 nan 0.000 0.441 879 R N -0.302 120.125 120.500 -0.121 0.000 3.793 879 R HA -0.222 4.118 4.340 -0.000 0.000 0.464 879 R C -0.236 176.029 176.300 -0.058 0.000 0.241 879 R CA 1.770 57.820 56.100 -0.084 0.000 1.464 879 R CB -2.169 28.088 30.300 -0.071 0.000 0.954 879 R HN 0.794 nan 8.270 nan 0.000 0.583 880 T N 1.493 116.020 114.554 -0.045 0.000 3.455 880 T HA -0.096 4.254 4.350 -0.000 0.000 0.416 880 T C 0.465 175.150 174.700 -0.026 0.000 0.766 880 T CA 0.788 62.869 62.100 -0.032 0.000 2.199 880 T CB -0.964 67.886 68.868 -0.030 0.000 1.725 880 T HN 0.625 nan 8.240 nan 0.000 0.751 881 N N -1.222 117.464 118.700 -0.023 0.000 2.292 881 N HA -0.245 4.495 4.740 -0.000 0.000 0.219 881 N C 1.336 176.835 175.510 -0.019 0.000 1.011 881 N CA 2.606 55.645 53.050 -0.018 0.000 2.776 881 N CB -1.473 37.005 38.487 -0.014 0.000 0.819 881 N HN 0.658 nan 8.380 nan 0.000 0.457 882 T N 0.941 115.482 114.554 -0.021 0.000 2.866 882 T HA 0.297 4.647 4.350 -0.000 0.000 0.250 882 T C 1.556 176.240 174.700 -0.026 0.000 1.033 882 T CA 1.190 63.279 62.100 -0.020 0.000 1.145 882 T CB 0.271 69.129 68.868 -0.016 0.000 0.866 882 T HN 0.412 nan 8.240 nan 0.000 0.434 883 L N -0.989 120.212 121.223 -0.036 0.000 5.188 883 L HA -0.208 4.132 4.340 -0.000 0.000 0.431 883 L C 0.588 177.431 176.870 -0.045 0.000 1.017 883 L CA 0.486 55.298 54.840 -0.047 0.000 1.195 883 L CB -1.617 40.416 42.059 -0.043 0.000 1.860 883 L HN 0.191 nan 8.230 nan 0.000 0.691 884 R N 1.566 122.049 120.500 -0.029 0.000 2.842 884 R HA 0.208 4.548 4.340 -0.000 0.000 0.260 884 R C 0.335 176.632 176.300 -0.004 0.000 1.495 884 R CA 0.580 56.671 56.100 -0.016 0.000 1.024 884 R CB -0.116 30.180 30.300 -0.005 0.000 1.147 884 R HN 0.411 nan 8.270 nan 0.000 0.553 885 M N 0.752 120.348 119.600 -0.008 0.000 2.561 885 M HA 0.436 4.916 4.480 -0.000 0.000 0.266 885 M C -0.140 176.205 176.300 0.075 0.000 0.983 885 M CA -0.790 54.538 55.300 0.047 0.000 1.080 885 M CB 1.288 33.874 32.600 -0.023 0.000 1.554 885 M HN 0.043 nan 8.290 nan 0.000 0.604 886 K N -0.469 120.041 120.400 0.182 0.000 2.400 886 K HA 0.372 4.692 4.320 -0.000 0.000 0.246 886 K C 0.497 177.176 176.600 0.133 0.000 0.995 886 K CA -0.894 55.467 56.287 0.123 0.000 0.840 886 K CB 1.666 34.231 32.500 0.109 0.000 1.293 886 K HN 0.514 nan 8.250 nan 0.000 0.445 887 H N 0.706 119.822 119.070 0.077 0.000 2.456 887 H HA -0.056 4.500 4.556 -0.000 0.000 0.296 887 H C 0.844 176.204 175.328 0.053 0.000 1.079 887 H CA 1.297 57.381 56.048 0.060 0.000 1.322 887 H CB 0.005 29.785 29.762 0.030 0.000 1.388 887 H HN 0.790 nan 8.280 nan 0.000 0.538 888 G N 0.405 109.281 108.800 0.126 0.000 2.647 888 G HA2 0.024 3.984 3.960 -0.000 0.000 0.234 888 G HA3 0.024 3.984 3.960 -0.000 0.000 0.234 888 G C -0.251 174.648 174.900 -0.002 0.000 1.252 888 G CA -0.143 44.952 45.100 -0.008 0.000 0.846 888 G HN 0.179 nan 8.290 nan 0.000 0.589 889 T N 1.182 115.710 114.554 -0.043 0.000 2.771 889 T HA 0.260 4.610 4.350 -0.000 0.000 0.291 889 T C 0.262 174.930 174.700 -0.053 0.000 0.954 889 T CA -0.039 62.083 62.100 0.035 0.000 1.045 889 T CB 1.003 69.888 68.868 0.028 0.000 0.917 889 T HN 0.432 nan 8.240 nan 0.000 0.484 890 Y N 0.567 120.867 120.300 -0.001 0.000 2.510 890 Y HA 0.073 4.623 4.550 -0.000 0.000 0.273 890 Y C 1.987 177.883 175.900 -0.006 0.000 1.119 890 Y CA -0.277 57.820 58.100 -0.006 0.000 1.286 890 Y CB -0.077 38.381 38.460 -0.002 0.000 1.061 890 Y HN 0.569 nan 8.280 nan 0.000 0.542 891 D N 0.675 121.161 120.400 0.145 0.000 2.417 891 D HA -0.156 4.484 4.640 -0.000 0.000 0.225 891 D C 1.101 177.427 176.300 0.044 0.000 0.983 891 D CA 1.040 55.088 54.000 0.080 0.000 0.949 891 D CB -0.096 40.740 40.800 0.060 0.000 0.879 891 D HN 0.437 nan 8.370 nan 0.000 0.520 892 K N -0.387 120.029 120.400 0.027 0.000 2.358 892 K HA 0.180 4.500 4.320 -0.000 0.000 0.200 892 K C 0.605 177.203 176.600 -0.003 0.000 1.030 892 K CA -0.141 56.147 56.287 0.000 0.000 1.097 892 K CB 0.948 33.433 32.500 -0.025 0.000 0.862 892 K HN 0.054 nan 8.250 nan 0.000 0.534 893 L N 1.262 122.495 121.223 0.017 0.000 2.379 893 L HA 0.178 4.518 4.340 -0.000 0.000 0.269 893 L C 0.159 177.042 176.870 0.022 0.000 1.084 893 L CA -0.534 54.315 54.840 0.016 0.000 0.802 893 L CB 0.782 42.869 42.059 0.047 0.000 1.175 893 L HN -0.052 nan 8.230 nan 0.000 0.448 894 D N -0.470 119.936 120.400 0.010 0.000 2.529 894 D HA 0.098 4.738 4.640 -0.000 0.000 0.273 894 D C 0.489 176.803 176.300 0.023 0.000 1.197 894 D CA -0.385 53.621 54.000 0.012 0.000 1.070 894 D CB 0.709 41.508 40.800 -0.000 0.000 1.134 894 D HN 0.436 nan 8.370 nan 0.000 0.590 895 D N -0.144 120.269 120.400 0.023 0.000 2.312 895 D HA -0.119 4.521 4.640 -0.000 0.000 0.211 895 D C 0.844 177.169 176.300 0.041 0.000 0.964 895 D CA 0.660 54.679 54.000 0.032 0.000 0.877 895 D CB 0.160 40.976 40.800 0.027 0.000 0.924 895 D HN 0.420 nan 8.370 nan 0.000 0.515 896 D N -0.213 120.204 120.400 0.029 0.000 2.355 896 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 896 D C 1.569 177.891 176.300 0.037 0.000 1.004 896 D CA 0.808 54.829 54.000 0.035 0.000 0.880 896 D CB -0.123 40.679 40.800 0.003 0.000 0.911 896 D HN 0.195 nan 8.370 nan 0.000 0.528 897 G N 0.014 108.833 108.800 0.032 0.000 2.157 897 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 897 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 897 G C -0.088 174.781 174.900 -0.053 0.000 0.979 897 G CA 0.317 45.441 45.100 0.039 0.000 0.650 897 G HN 0.406 nan 8.290 nan 0.000 0.529 898 L N 0.663 121.836 121.223 -0.083 0.000 2.365 898 L HA 0.624 4.964 4.340 -0.000 0.000 0.273 898 L C 0.853 177.678 176.870 -0.075 0.000 1.000 898 L CA -1.311 53.456 54.840 -0.122 0.000 0.819 898 L CB 1.780 43.739 42.059 -0.166 0.000 1.284 898 L HN -0.007 nan 8.230 nan 0.000 0.418 899 I N 1.907 122.431 120.570 -0.078 0.000 2.638 899 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 899 I C 0.776 176.867 176.117 -0.042 0.000 1.088 899 I CA -0.103 61.164 61.300 -0.054 0.000 1.397 899 I CB 1.309 39.273 38.000 -0.060 0.000 1.414 899 I HN 0.675 nan 8.210 nan 0.000 0.566 900 A N 7.136 129.940 122.820 -0.027 0.000 2.322 900 A HA 0.413 4.733 4.320 -0.000 0.000 0.269 900 A C -1.740 175.838 177.584 -0.011 0.000 1.094 900 A CA -1.338 50.688 52.037 -0.019 0.000 0.807 900 A CB 0.245 19.238 19.000 -0.012 0.000 1.047 900 A HN 0.521 nan 8.150 nan 0.000 0.487 901 P HA -0.198 nan 4.420 nan 0.000 0.214 901 P C 1.728 179.034 177.300 0.011 0.000 1.169 901 P CA 2.415 65.518 63.100 0.005 0.000 0.908 901 P CB 0.067 31.769 31.700 0.005 0.000 0.791 902 G N -0.639 108.166 108.800 0.008 0.000 2.462 902 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 902 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 902 G C 0.385 175.291 174.900 0.011 0.000 1.121 902 G CA 0.258 45.365 45.100 0.012 0.000 0.758 902 G HN 0.194 nan 8.290 nan 0.000 0.559 903 V N 0.482 120.399 119.914 0.005 0.000 2.720 903 V HA 0.050 4.170 4.120 -0.000 0.000 0.307 903 V C 0.885 176.982 176.094 0.005 0.000 1.071 903 V CA 0.009 62.311 62.300 0.003 0.000 1.199 903 V CB 0.641 32.461 31.823 -0.005 0.000 0.900 903 V HN 0.375 nan 8.190 nan 0.000 0.494 904 R N 3.646 124.150 120.500 0.006 0.000 2.221 904 R HA 0.562 4.902 4.340 -0.000 0.000 0.327 904 R C -0.524 175.777 176.300 0.001 0.000 1.033 904 R CA -0.409 55.696 56.100 0.009 0.000 0.887 904 R CB 1.160 31.466 30.300 0.011 0.000 1.057 904 R HN 0.755 nan 8.270 nan 0.000 0.455 905 V N 1.180 121.095 119.914 0.002 0.000 3.103 905 V HA 0.901 5.021 4.120 -0.000 0.000 0.318 905 V C -0.246 175.849 176.094 0.001 0.000 1.114 905 V CA -0.140 62.154 62.300 -0.011 0.000 1.020 905 V CB 1.783 33.589 31.823 -0.028 0.000 1.085 905 V HN 1.008 nan 8.190 nan 0.000 0.446 906 S N 0.201 115.895 115.700 -0.009 0.000 2.806 906 S HA 0.734 5.204 4.470 -0.000 0.000 0.294 906 S C 0.920 175.515 174.600 -0.009 0.000 1.239 906 S CA 0.391 58.593 58.200 0.003 0.000 1.052 906 S CB 0.372 63.576 63.200 0.006 0.000 1.332 906 S HN 2.651 nan 8.310 nan 0.000 0.516 907 G N 1.555 110.354 108.800 -0.002 0.000 2.651 907 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.387 907 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.387 907 G C 0.138 175.027 174.900 -0.019 0.000 1.291 907 G CA 1.198 46.293 45.100 -0.008 0.000 0.958 907 G HN 1.102 nan 8.290 nan 0.000 0.549 908 E N 1.216 121.398 120.200 -0.029 0.000 2.609 908 E HA 0.291 4.641 4.350 -0.000 0.000 0.208 908 E C -0.839 175.706 176.600 -0.093 0.000 1.013 908 E CA -0.198 56.173 56.400 -0.048 0.000 1.093 908 E CB 0.235 29.924 29.700 -0.019 0.000 1.129 908 E HN 0.451 nan 8.360 nan 0.000 0.450 909 D N 1.250 121.593 120.400 -0.095 0.000 2.487 909 D HA -0.033 4.607 4.640 -0.000 0.000 0.243 909 D C -0.086 176.089 176.300 -0.209 0.000 1.154 909 D CA 0.192 54.114 54.000 -0.130 0.000 0.876 909 D CB 0.829 41.575 40.800 -0.091 0.000 1.161 909 D HN -0.103 nan 8.370 nan 0.000 0.478 910 V N 4.036 123.762 119.914 -0.313 0.000 2.540 910 V HA -0.038 4.082 4.120 -0.000 0.000 0.297 910 V C 1.551 177.481 176.094 -0.274 0.000 1.024 910 V CA 0.369 62.433 62.300 -0.393 0.000 1.105 910 V CB 0.426 31.797 31.823 -0.754 0.000 0.938 910 V HN 0.533 nan 8.190 nan 0.000 0.482 911 I N 4.314 124.723 120.570 -0.267 0.000 3.339 911 I HA 0.274 4.444 4.170 -0.000 0.000 0.285 911 I C 0.428 176.438 176.117 -0.179 0.000 1.201 911 I CA 0.838 61.999 61.300 -0.232 0.000 1.434 911 I CB 0.385 38.179 38.000 -0.344 0.000 1.152 911 I HN 0.440 nan 8.210 nan 0.000 0.443 912 I N 0.505 120.978 120.570 -0.161 0.000 2.534 912 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 912 I C -0.297 175.820 176.117 -0.000 0.000 1.077 912 I CA -0.568 60.676 61.300 -0.094 0.000 1.051 912 I CB 2.088 40.033 38.000 -0.092 0.000 1.234 912 I HN -0.092 nan 8.210 nan 0.000 0.425 913 G N 5.031 113.880 108.800 0.082 0.000 2.372 913 G HA2 0.652 4.612 3.960 -0.000 0.000 0.323 913 G HA3 0.652 4.612 3.960 -0.000 0.000 0.323 913 G C -1.222 173.835 174.900 0.262 0.000 1.152 913 G CA -0.384 44.825 45.100 0.182 0.000 0.906 913 G HN 0.590 nan 8.290 nan 0.000 0.460 914 K N 1.018 121.545 120.400 0.211 0.000 2.546 914 K HA 0.598 4.918 4.320 -0.000 0.000 0.264 914 K C -1.075 175.566 176.600 0.068 0.000 0.937 914 K CA -0.587 55.792 56.287 0.154 0.000 0.833 914 K CB 2.068 34.654 32.500 0.144 0.000 1.378 914 K HN 0.491 nan 8.250 nan 0.000 0.432 915 T N 1.094 115.656 114.554 0.013 0.000 2.912 915 T HA 0.403 4.753 4.350 -0.000 0.000 0.288 915 T C -0.670 174.017 174.700 -0.022 0.000 1.030 915 T CA -0.679 61.422 62.100 0.002 0.000 1.020 915 T CB 1.655 70.523 68.868 0.001 0.000 1.056 915 T HN 0.474 nan 8.240 nan 0.000 0.480 916 T N 4.215 118.762 114.554 -0.011 0.000 3.150 916 T HA 0.330 4.680 4.350 -0.000 0.000 0.383 916 T C -2.621 172.073 174.700 -0.009 0.000 1.313 916 T CA -1.170 60.921 62.100 -0.014 0.000 1.235 916 T CB 0.596 69.460 68.868 -0.007 0.000 1.088 916 T HN 0.389 nan 8.240 nan 0.000 0.556 917 P HA 0.173 nan 4.420 nan 0.000 0.263 917 P C -0.346 176.952 177.300 -0.003 0.000 1.276 917 P CA 0.001 63.097 63.100 -0.007 0.000 0.986 917 P CB 0.097 31.792 31.700 -0.008 0.000 1.105 918 I N 2.372 122.941 120.570 -0.002 0.000 2.440 918 I HA 0.113 4.283 4.170 -0.000 0.000 0.294 918 I C 1.527 177.645 176.117 0.001 0.000 0.995 918 I CA -0.398 60.902 61.300 0.001 0.000 1.306 918 I CB 1.518 39.519 38.000 0.003 0.000 1.407 918 I HN 0.323 nan 8.210 nan 0.000 0.501 934 K N 1.930 122.323 120.400 -0.012 0.000 2.814 934 K HA 0.427 4.747 4.320 -0.000 0.000 0.205 934 K C -1.398 175.194 176.600 -0.013 0.000 1.093 934 K CA -0.194 56.085 56.287 -0.013 0.000 1.035 934 K CB 1.558 34.047 32.500 -0.018 0.000 1.220 934 K HN 0.270 nan 8.250 nan 0.000 0.576 935 R N 1.184 121.681 120.500 -0.006 0.000 2.312 935 R HA 0.175 4.515 4.340 -0.000 0.000 0.311 935 R C -0.233 176.072 176.300 0.009 0.000 1.004 935 R CA -0.845 55.254 56.100 -0.002 0.000 0.902 935 R CB 1.108 31.409 30.300 0.001 0.000 1.073 935 R HN 0.381 nan 8.270 nan 0.000 0.457 936 D N 1.735 122.146 120.400 0.017 0.000 2.382 936 D HA 0.220 4.860 4.640 -0.000 0.000 0.245 936 D C -0.973 175.359 176.300 0.053 0.000 1.120 936 D CA 0.182 54.210 54.000 0.046 0.000 0.890 936 D CB 1.205 42.049 40.800 0.074 0.000 1.201 936 D HN 0.626 nan 8.370 nan 0.000 0.433 937 A N 2.403 125.262 122.820 0.066 0.000 2.768 937 A HA 0.451 4.771 4.320 -0.000 0.000 0.298 937 A C -1.047 176.587 177.584 0.082 0.000 1.159 937 A CA -0.645 51.427 52.037 0.058 0.000 0.783 937 A CB 0.315 19.337 19.000 0.036 0.000 1.333 937 A HN 0.434 nan 8.150 nan 0.000 0.412 938 S N 0.193 115.943 115.700 0.084 0.000 2.572 938 S HA 0.655 5.125 4.470 -0.000 0.000 0.274 938 S C -0.382 174.224 174.600 0.011 0.000 1.150 938 S CA -0.595 57.651 58.200 0.077 0.000 0.944 938 S CB 1.283 64.555 63.200 0.120 0.000 1.071 938 S HN 0.493 nan 8.310 nan 0.000 0.479 939 T N 5.672 120.219 114.554 -0.012 0.000 2.799 939 T HA 0.426 4.776 4.350 -0.000 0.000 0.296 939 T C -2.325 172.270 174.700 -0.175 0.000 0.947 939 T CA -0.503 61.559 62.100 -0.065 0.000 1.141 939 T CB 0.344 69.186 68.868 -0.044 0.000 0.891 939 T HN 0.535 nan 8.240 nan 0.000 0.533 940 P HA 0.376 nan 4.420 nan 0.000 0.293 940 P C -0.391 176.745 177.300 -0.273 0.000 1.291 940 P CA -0.974 61.997 63.100 -0.216 0.000 0.867 940 P CB 1.185 32.805 31.700 -0.133 0.000 1.074 941 L N 3.431 124.462 121.223 -0.320 0.000 2.514 941 L HA 0.067 4.407 4.340 -0.000 0.000 0.280 941 L C 0.956 177.798 176.870 -0.048 0.000 1.223 941 L CA 0.224 54.876 54.840 -0.313 0.000 0.864 941 L CB 0.004 41.956 42.059 -0.178 0.000 1.118 941 L HN 0.308 nan 8.230 nan 0.000 0.494 942 R N 3.076 123.665 120.500 0.148 0.000 2.537 942 R HA -0.055 4.285 4.340 -0.000 0.000 0.281 942 R C 1.614 177.962 176.300 0.081 0.000 0.988 942 R CA 0.599 56.788 56.100 0.149 0.000 1.077 942 R CB 0.143 30.569 30.300 0.211 0.000 0.932 942 R HN 0.994 nan 8.270 nan 0.000 0.409 943 S N 1.668 117.399 115.700 0.051 0.000 2.389 943 S HA -0.244 4.226 4.470 -0.000 0.000 0.231 943 S C 1.565 176.186 174.600 0.035 0.000 1.052 943 S CA 2.187 60.407 58.200 0.033 0.000 1.053 943 S CB -0.475 62.741 63.200 0.027 0.000 0.886 943 S HN 0.798 nan 8.310 nan 0.000 0.456 944 T N -0.390 114.190 114.554 0.043 0.000 3.107 944 T HA 0.321 4.671 4.350 -0.000 0.000 0.249 944 T C 0.376 175.098 174.700 0.037 0.000 1.096 944 T CA -0.207 61.914 62.100 0.034 0.000 1.012 944 T CB -0.057 68.827 68.868 0.027 0.000 0.977 944 T HN 0.539 nan 8.240 nan 0.000 0.527 945 E N 2.554 122.795 120.200 0.068 0.000 2.267 945 E HA 0.546 4.896 4.350 -0.000 0.000 0.258 945 E C -0.352 176.299 176.600 0.085 0.000 1.074 945 E CA -1.007 55.449 56.400 0.094 0.000 0.915 945 E CB 0.692 30.501 29.700 0.182 0.000 1.186 945 E HN 0.420 nan 8.360 nan 0.000 0.439 946 N N -0.370 118.388 118.700 0.097 0.000 3.134 946 N HA 0.275 5.015 4.740 -0.000 0.000 0.235 946 N C -0.900 174.657 175.510 0.078 0.000 1.092 946 N CA -0.237 52.855 53.050 0.070 0.000 1.038 946 N CB 1.113 39.624 38.487 0.039 0.000 1.684 946 N HN 0.630 nan 8.380 nan 0.000 0.551 947 G N 0.772 109.613 108.800 0.068 0.000 2.795 947 G HA2 0.531 4.491 3.960 -0.000 0.000 0.127 947 G HA3 0.531 4.491 3.960 -0.000 0.000 0.127 947 G C -1.661 173.265 174.900 0.043 0.000 1.203 947 G CA -0.515 44.621 45.100 0.059 0.000 1.145 947 G HN 0.543 nan 8.290 nan 0.000 0.580 948 I N 0.975 121.570 120.570 0.042 0.000 2.571 948 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 948 I C -0.114 176.030 176.117 0.046 0.000 1.115 948 I CA -0.908 60.413 61.300 0.036 0.000 1.045 948 I CB 2.442 40.461 38.000 0.033 0.000 1.238 948 I HN 0.209 nan 8.210 nan 0.000 0.424 949 V N 5.242 125.178 119.914 0.037 0.000 2.625 949 V HA -0.145 3.975 4.120 -0.000 0.000 0.305 949 V C 0.713 176.841 176.094 0.055 0.000 1.055 949 V CA 0.983 63.308 62.300 0.042 0.000 1.209 949 V CB 0.659 32.491 31.823 0.015 0.000 0.877 949 V HN 0.855 nan 8.190 nan 0.000 0.489 950 D N 2.837 123.287 120.400 0.083 0.000 2.468 950 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 950 D C 0.753 177.087 176.300 0.057 0.000 0.994 950 D CA 0.794 54.856 54.000 0.104 0.000 0.932 950 D CB 0.519 41.447 40.800 0.212 0.000 1.078 950 D HN 0.705 nan 8.370 nan 0.000 0.473 951 Q N -0.747 119.077 119.800 0.041 0.000 2.462 951 Q HA 0.599 4.939 4.340 -0.000 0.000 0.285 951 Q C -1.922 174.076 176.000 -0.003 0.000 1.035 951 Q CA -0.924 54.883 55.803 0.007 0.000 0.799 951 Q CB 3.262 31.993 28.738 -0.013 0.000 1.452 951 Q HN -0.081 nan 8.270 nan 0.000 0.404 952 V N 2.090 121.992 119.914 -0.019 0.000 2.760 952 V HA 0.608 4.728 4.120 -0.000 0.000 0.309 952 V C -1.153 174.918 176.094 -0.038 0.000 1.077 952 V CA -0.806 61.472 62.300 -0.038 0.000 0.910 952 V CB 1.790 33.580 31.823 -0.055 0.000 1.008 952 V HN 0.716 nan 8.190 nan 0.000 0.424 953 L N 4.863 126.061 121.223 -0.042 0.000 2.381 953 L HA 0.941 5.281 4.340 -0.000 0.000 0.268 953 L C -1.390 175.469 176.870 -0.018 0.000 0.997 953 L CA -0.547 54.284 54.840 -0.015 0.000 0.818 953 L CB 2.283 44.350 42.059 0.014 0.000 1.310 953 L HN 0.463 nan 8.230 nan 0.000 0.416 954 V N 3.404 123.324 119.914 0.011 0.000 2.376 954 V HA 0.639 4.759 4.120 -0.000 0.000 0.287 954 V C -0.052 176.099 176.094 0.095 0.000 1.015 954 V CA -0.140 62.181 62.300 0.034 0.000 0.834 954 V CB 0.935 32.763 31.823 0.008 0.000 1.001 954 V HN 0.982 nan 8.190 nan 0.000 0.428 955 T N 2.228 116.888 114.554 0.176 0.000 2.669 955 T HA 0.604 4.954 4.350 -0.000 0.000 0.283 955 T C -0.478 174.341 174.700 0.198 0.000 1.019 955 T CA -0.540 61.663 62.100 0.172 0.000 1.039 955 T CB 2.237 71.208 68.868 0.172 0.000 1.374 955 T HN 0.554 nan 8.240 nan 0.000 0.523 956 T N 2.396 117.021 114.554 0.118 0.000 2.881 956 T HA 0.494 4.844 4.350 -0.000 0.000 0.290 956 T C -0.779 173.919 174.700 -0.005 0.000 1.000 956 T CA -0.678 61.472 62.100 0.084 0.000 0.978 956 T CB 1.062 69.967 68.868 0.063 0.000 0.997 956 T HN 0.528 nan 8.240 nan 0.000 0.443 957 N N 2.789 121.462 118.700 -0.045 0.000 2.439 957 N HA 0.204 4.944 4.740 -0.000 0.000 0.249 957 N C 1.218 176.700 175.510 -0.046 0.000 1.003 957 N CA -0.044 52.929 53.050 -0.128 0.000 0.942 957 N CB 0.510 38.859 38.487 -0.230 0.000 1.115 957 N HN 0.688 nan 8.380 nan 0.000 0.505 958 Q N 1.585 121.368 119.800 -0.028 0.000 2.601 958 Q HA -0.354 3.986 4.340 -0.000 0.000 0.280 958 Q C -0.276 175.730 176.000 0.009 0.000 2.159 958 Q CA 2.553 58.355 55.803 -0.001 0.000 0.923 958 Q CB -0.781 27.956 28.738 -0.000 0.000 0.852 958 Q HN 0.755 nan 8.270 nan 0.000 0.674 959 D N 0.714 121.118 120.400 0.006 0.000 2.789 959 D HA 0.071 4.711 4.640 -0.000 0.000 0.249 959 D C 0.702 177.020 176.300 0.029 0.000 1.290 959 D CA 1.162 55.174 54.000 0.019 0.000 0.989 959 D CB -1.031 39.773 40.800 0.006 0.000 1.145 959 D HN 0.640 nan 8.370 nan 0.000 0.449 960 G N 0.949 109.767 108.800 0.030 0.000 2.449 960 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.304 960 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.304 960 G C 0.405 175.336 174.900 0.052 0.000 0.962 960 G CA 0.127 45.250 45.100 0.039 0.000 0.943 960 G HN 0.421 nan 8.290 nan 0.000 0.514 961 L N -0.720 120.538 121.223 0.058 0.000 2.350 961 L HA 0.355 4.695 4.340 -0.000 0.000 0.275 961 L C 0.976 177.941 176.870 0.159 0.000 1.099 961 L CA -0.520 54.376 54.840 0.092 0.000 0.808 961 L CB 0.985 43.100 42.059 0.093 0.000 1.149 961 L HN 0.017 nan 8.230 nan 0.000 0.442 962 K N 2.810 123.326 120.400 0.192 0.000 2.285 962 K HA 0.305 4.625 4.320 -0.000 0.000 0.286 962 K C -1.067 175.812 176.600 0.464 0.000 1.072 962 K CA -0.258 56.210 56.287 0.300 0.000 0.913 962 K CB 0.806 33.500 32.500 0.324 0.000 1.067 962 K HN 0.217 nan 8.250 nan 0.000 0.479 963 F N 3.061 123.132 119.950 0.200 0.000 2.469 963 F HA 0.368 4.895 4.527 -0.000 0.000 0.332 963 F C -0.630 175.231 175.800 0.102 0.000 1.103 963 F CA -0.835 57.266 58.000 0.167 0.000 0.979 963 F CB 1.313 40.373 39.000 0.100 0.000 1.137 963 F HN 0.084 nan 8.300 nan 0.000 0.463 964 V N 5.355 125.060 119.914 -0.349 0.000 2.623 964 V HA 0.425 4.545 4.120 -0.000 0.000 0.304 964 V C -0.961 174.902 176.094 -0.386 0.000 1.054 964 V CA -1.126 60.975 62.300 -0.332 0.000 0.882 964 V CB 2.099 33.627 31.823 -0.491 0.000 1.002 964 V HN 0.600 nan 8.190 nan 0.000 0.424 965 K N 3.290 123.556 120.400 -0.223 0.000 2.450 965 K HA 0.681 5.001 4.320 -0.000 0.000 0.257 965 K C -1.326 175.232 176.600 -0.070 0.000 0.953 965 K CA -0.604 55.597 56.287 -0.144 0.000 0.844 965 K CB 2.391 34.847 32.500 -0.072 0.000 1.103 965 K HN 0.468 nan 8.250 nan 0.000 0.429 966 V N 3.986 123.888 119.914 -0.020 0.000 2.328 966 V HA 0.319 4.439 4.120 -0.000 0.000 0.278 966 V C 0.053 176.211 176.094 0.107 0.000 1.021 966 V CA -0.775 61.542 62.300 0.028 0.000 0.838 966 V CB 0.979 32.815 31.823 0.021 0.000 0.999 966 V HN 0.621 nan 8.190 nan 0.000 0.447 967 R N 3.901 124.440 120.500 0.064 0.000 2.297 967 R HA 0.676 5.016 4.340 -0.000 0.000 0.308 967 R C -1.179 175.194 176.300 0.121 0.000 1.029 967 R CA -0.327 55.819 56.100 0.076 0.000 0.929 967 R CB 1.439 31.768 30.300 0.048 0.000 1.046 967 R HN 0.544 nan 8.270 nan 0.000 0.461 968 V N 4.851 124.844 119.914 0.133 0.000 2.513 968 V HA 0.499 4.619 4.120 -0.000 0.000 0.299 968 V C -0.036 176.093 176.094 0.060 0.000 1.035 968 V CA -0.860 61.515 62.300 0.127 0.000 0.889 968 V CB 1.555 33.501 31.823 0.204 0.000 0.988 968 V HN 0.724 nan 8.190 nan 0.000 0.440 969 R N 2.137 122.658 120.500 0.035 0.000 2.514 969 R HA 0.751 5.091 4.340 -0.000 0.000 0.301 969 R C -1.174 175.079 176.300 -0.078 0.000 0.962 969 R CA -0.177 55.852 56.100 -0.118 0.000 0.882 969 R CB 2.032 32.273 30.300 -0.100 0.000 1.143 969 R HN 0.855 nan 8.270 nan 0.000 0.452 970 T N 1.632 116.120 114.554 -0.109 0.000 2.909 970 T HA 0.311 4.661 4.350 -0.000 0.000 0.299 970 T C -0.996 173.706 174.700 0.004 0.000 1.073 970 T CA -0.488 61.626 62.100 0.022 0.000 0.999 970 T CB 1.987 70.947 68.868 0.155 0.000 1.098 970 T HN 0.430 nan 8.240 nan 0.000 0.477 971 T N 3.234 117.817 114.554 0.049 0.000 2.772 971 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 971 T C -0.291 174.441 174.700 0.054 0.000 0.994 971 T CA -0.678 61.483 62.100 0.102 0.000 0.951 971 T CB 0.480 69.443 68.868 0.159 0.000 0.933 971 T HN 0.313 nan 8.240 nan 0.000 0.447 972 K N 3.658 124.085 120.400 0.046 0.000 2.234 972 K HA 0.493 4.813 4.320 -0.000 0.000 0.277 972 K C -0.416 176.180 176.600 -0.007 0.000 1.038 972 K CA -0.469 55.817 56.287 -0.000 0.000 0.888 972 K CB 1.361 33.839 32.500 -0.038 0.000 1.091 972 K HN 0.526 nan 8.250 nan 0.000 0.467 973 I N 5.468 126.030 120.570 -0.013 0.000 2.353 973 I HA 0.194 4.364 4.170 -0.000 0.000 0.293 973 I C -1.788 174.351 176.117 0.037 0.000 0.992 973 I CA -2.577 58.721 61.300 -0.003 0.000 1.268 973 I CB 1.273 39.262 38.000 -0.018 0.000 1.387 973 I HN 0.396 nan 8.210 nan 0.000 0.478 974 P HA -0.093 nan 4.420 nan 0.000 0.256 974 P C -0.942 176.420 177.300 0.104 0.000 1.173 974 P CA 0.501 63.708 63.100 0.178 0.000 0.768 974 P CB 0.857 32.740 31.700 0.306 0.000 0.758 975 Q N 2.642 122.489 119.800 0.078 0.000 2.852 975 Q HA 0.342 4.682 4.340 -0.000 0.000 0.262 975 Q C 1.473 177.503 176.000 0.051 0.000 1.051 975 Q CA -1.007 54.821 55.803 0.041 0.000 0.894 975 Q CB 1.412 30.156 28.738 0.010 0.000 1.381 975 Q HN 0.224 nan 8.270 nan 0.000 0.501 976 I N -0.024 120.561 120.570 0.026 0.000 2.142 976 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 976 I C 1.605 177.741 176.117 0.033 0.000 1.078 976 I CA 1.791 63.107 61.300 0.026 0.000 1.343 976 I CB -0.349 37.660 38.000 0.015 0.000 1.046 976 I HN 0.845 nan 8.210 nan 0.000 0.405 977 G N -0.154 108.653 108.800 0.011 0.000 3.088 977 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.212 977 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.212 977 G C 0.022 174.906 174.900 -0.027 0.000 1.173 977 G CA -0.182 44.917 45.100 -0.002 0.000 0.779 977 G HN 0.232 nan 8.290 nan 0.000 0.540 978 D N 0.946 121.328 120.400 -0.030 0.000 2.417 978 D HA 0.156 4.796 4.640 -0.000 0.000 0.250 978 D C 0.448 176.600 176.300 -0.248 0.000 1.166 978 D CA 0.364 54.272 54.000 -0.153 0.000 0.881 978 D CB 1.285 41.983 40.800 -0.170 0.000 1.164 978 D HN 0.135 nan 8.370 nan 0.000 0.467 979 K N 2.004 122.197 120.400 -0.345 0.000 2.270 979 K HA 0.391 4.711 4.320 -0.000 0.000 0.276 979 K C -0.966 175.253 176.600 -0.634 0.000 1.023 979 K CA -0.178 55.931 56.287 -0.297 0.000 0.955 979 K CB 0.469 32.860 32.500 -0.182 0.000 0.975 979 K HN 0.229 nan 8.250 nan 0.000 0.471 980 F N 0.721 120.614 119.950 -0.095 0.000 2.626 980 F HA 0.640 5.167 4.527 -0.000 0.000 0.311 980 F C -0.451 175.321 175.800 -0.046 0.000 1.088 980 F CA -0.789 57.138 58.000 -0.122 0.000 0.949 980 F CB 2.348 41.272 39.000 -0.126 0.000 1.322 980 F HN 0.571 nan 8.300 nan 0.000 0.461 981 A N 0.513 123.382 122.820 0.081 0.000 2.594 981 A HA 0.707 5.027 4.320 -0.000 0.000 0.295 981 A C -0.483 176.785 177.584 -0.526 0.000 1.071 981 A CA -0.277 51.695 52.037 -0.108 0.000 0.685 981 A CB 1.189 20.146 19.000 -0.072 0.000 1.285 981 A HN 0.897 nan 8.150 nan 0.000 0.405 982 S N 0.868 116.149 115.700 -0.698 0.000 2.423 982 S HA 0.340 4.810 4.470 -0.000 0.000 0.244 982 S C 0.682 175.063 174.600 -0.365 0.000 1.267 982 S CA 0.191 57.870 58.200 -0.868 0.000 0.988 982 S CB 0.120 63.109 63.200 -0.351 0.000 0.978 982 S HN 0.668 nan 8.310 nan 0.000 0.506 983 R N -0.233 120.072 120.500 -0.325 0.000 2.432 983 R HA 0.269 4.609 4.340 -0.000 0.000 0.260 983 R C -0.027 175.901 176.300 -0.621 0.000 0.935 983 R CA -0.025 55.821 56.100 -0.423 0.000 1.080 983 R CB 0.125 30.147 30.300 -0.463 0.000 1.155 983 R HN 0.604 nan 8.270 nan 0.000 0.531 984 H N -0.520 118.548 119.070 -0.004 0.000 2.505 984 H HA 0.216 4.772 4.556 -0.000 0.000 0.260 984 H C 0.726 176.107 175.328 0.088 0.000 1.232 984 H CA 0.097 56.181 56.048 0.060 0.000 0.991 984 H CB 0.886 30.726 29.762 0.131 0.000 1.729 984 H HN 0.364 nan 8.280 nan 0.000 0.561 985 G N 1.917 110.786 108.800 0.115 0.000 2.258 985 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.274 985 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.274 985 G C 0.277 175.275 174.900 0.163 0.000 1.021 985 G CA 0.294 45.506 45.100 0.186 0.000 0.798 985 G HN 0.393 nan 8.290 nan 0.000 0.507 986 Q N 0.466 120.337 119.800 0.119 0.000 2.454 986 Q HA 0.432 4.772 4.340 -0.000 0.000 0.255 986 Q C 0.364 176.402 176.000 0.062 0.000 1.034 986 Q CA -0.762 55.102 55.803 0.102 0.000 0.736 986 Q CB 0.575 29.399 28.738 0.144 0.000 1.210 986 Q HN 0.578 nan 8.270 nan 0.000 0.500 987 K N 0.957 121.377 120.400 0.034 0.000 2.087 987 K HA 0.907 5.227 4.320 -0.000 0.000 0.255 987 K C -0.204 176.429 176.600 0.056 0.000 0.988 987 K CA -0.833 55.470 56.287 0.026 0.000 0.915 987 K CB 1.530 34.016 32.500 -0.024 0.000 1.043 987 K HN 0.507 nan 8.250 nan 0.000 0.457 988 G N 0.301 109.150 108.800 0.082 0.000 2.702 988 G HA2 0.347 4.307 3.960 -0.000 0.000 0.296 988 G HA3 0.347 4.307 3.960 -0.000 0.000 0.296 988 G C -1.101 173.863 174.900 0.106 0.000 1.463 988 G CA -0.628 44.526 45.100 0.090 0.000 0.890 988 G HN 0.790 nan 8.290 nan 0.000 0.534 989 T N -0.831 113.766 114.554 0.071 0.000 2.927 989 T HA 0.725 5.075 4.350 -0.000 0.000 0.281 989 T C 0.650 175.416 174.700 0.109 0.000 0.998 989 T CA -0.696 61.449 62.100 0.075 0.000 1.019 989 T CB 1.107 69.987 68.868 0.020 0.000 1.061 989 T HN 0.469 nan 8.240 nan 0.000 0.518 990 I N 1.312 121.965 120.570 0.139 0.000 2.779 990 I HA 0.375 4.545 4.170 -0.000 0.000 0.285 990 I C 1.499 177.651 176.117 0.057 0.000 1.134 990 I CA 0.059 61.419 61.300 0.101 0.000 1.398 990 I CB 0.869 38.943 38.000 0.124 0.000 1.404 990 I HN 1.019 nan 8.210 nan 0.000 0.587 991 G N 5.678 114.500 108.800 0.037 0.000 3.146 991 G HA2 0.406 4.366 3.960 -0.000 0.000 0.238 991 G HA3 0.406 4.366 3.960 -0.000 0.000 0.238 991 G C 0.006 174.937 174.900 0.052 0.000 1.022 991 G CA 0.155 45.294 45.100 0.065 0.000 0.880 991 G HN 0.536 nan 8.290 nan 0.000 0.533 992 I N 0.380 120.912 120.570 -0.063 0.000 2.526 992 I HA 0.308 4.478 4.170 -0.000 0.000 0.305 992 I C -1.575 174.369 176.117 -0.288 0.000 1.951 992 I CA -0.642 60.535 61.300 -0.206 0.000 0.938 992 I CB 1.606 39.352 38.000 -0.424 0.000 1.543 992 I HN 0.091 nan 8.210 nan 0.000 0.609 993 T N 2.470 116.875 114.554 -0.248 0.000 2.856 993 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 993 T C -1.214 173.432 174.700 -0.089 0.000 1.008 993 T CA -0.438 61.567 62.100 -0.159 0.000 0.997 993 T CB 1.333 70.175 68.868 -0.044 0.000 0.992 993 T HN 0.482 nan 8.240 nan 0.000 0.454 994 Y N 0.597 120.906 120.300 0.016 0.000 2.429 994 Y HA 0.539 5.089 4.550 -0.000 0.000 0.342 994 Y C 1.091 177.013 175.900 0.036 0.000 1.004 994 Y CA -1.631 56.493 58.100 0.040 0.000 1.075 994 Y CB 2.219 40.738 38.460 0.099 0.000 1.214 994 Y HN 0.465 nan 8.280 nan 0.000 0.455 995 R N 1.106 121.729 120.500 0.205 0.000 2.560 995 R HA 0.189 4.529 4.340 -0.000 0.000 0.270 995 R C 1.313 177.675 176.300 0.104 0.000 1.074 995 R CA -0.411 55.755 56.100 0.109 0.000 1.140 995 R CB 0.754 31.095 30.300 0.068 0.000 1.073 995 R HN 0.749 nan 8.270 nan 0.000 0.527 996 R N 1.489 122.029 120.500 0.067 0.000 2.189 996 R HA -0.320 4.020 4.340 -0.000 0.000 0.252 996 R C 1.292 177.639 176.300 0.078 0.000 1.134 996 R CA 2.658 58.794 56.100 0.060 0.000 0.954 996 R CB -0.079 30.234 30.300 0.021 0.000 0.890 996 R HN 0.667 nan 8.270 nan 0.000 0.443 997 E N 0.620 120.856 120.200 0.060 0.000 2.012 997 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 997 E C 1.682 178.373 176.600 0.151 0.000 1.007 997 E CA 1.838 58.284 56.400 0.077 0.000 0.816 997 E CB -0.449 29.275 29.700 0.041 0.000 0.762 997 E HN 0.489 nan 8.360 nan 0.000 0.451 998 D N 0.216 120.689 120.400 0.122 0.000 2.315 998 D HA -0.147 4.493 4.640 -0.000 0.000 0.211 998 D C 0.601 177.030 176.300 0.215 0.000 0.977 998 D CA 0.644 54.740 54.000 0.159 0.000 0.894 998 D CB -0.182 40.572 40.800 -0.076 0.000 0.910 998 D HN 0.174 nan 8.370 nan 0.000 0.490 999 M N 1.596 121.315 119.600 0.198 0.000 2.240 999 M HA 0.155 4.635 4.480 -0.000 0.000 0.333 999 M C -2.280 174.075 176.300 0.091 0.000 1.110 999 M CA -1.698 53.687 55.300 0.141 0.000 1.173 999 M CB 1.012 33.683 32.600 0.118 0.000 1.458 999 M HN -0.248 nan 8.290 nan 0.000 0.458 1000 P HA 0.217 nan 4.420 nan 0.000 0.274 1000 P C -1.496 175.810 177.300 0.011 0.000 1.231 1000 P CA -0.075 62.902 63.100 -0.205 0.000 0.790 1000 P CB 0.255 31.650 31.700 -0.509 0.000 0.951 1001 F N -1.919 118.037 119.950 0.010 0.000 2.603 1001 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 1001 F C -0.166 175.628 175.800 -0.010 0.000 1.066 1001 F CA -1.324 56.666 58.000 -0.017 0.000 0.941 1001 F CB 0.808 39.806 39.000 -0.004 0.000 1.291 1001 F HN 0.144 nan 8.300 nan 0.000 0.472 1002 T N 0.767 115.413 114.554 0.154 0.000 2.909 1002 T HA 0.500 4.850 4.350 -0.000 0.000 0.289 1002 T C 1.175 176.035 174.700 0.267 0.000 1.005 1002 T CA 0.176 62.295 62.100 0.032 0.000 1.084 1002 T CB 1.276 69.997 68.868 -0.245 0.000 0.975 1002 T HN 0.950 nan 8.240 nan 0.000 0.509 1003 A N 3.136 126.132 122.820 0.293 0.000 1.986 1003 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 1003 A C 2.000 179.637 177.584 0.087 0.000 1.171 1003 A CA 1.681 53.864 52.037 0.244 0.000 0.640 1003 A CB -0.531 18.629 19.000 0.267 0.000 0.811 1003 A HN 0.954 nan 8.150 nan 0.000 0.451 1004 E N -1.806 118.437 120.200 0.072 0.000 2.338 1004 E HA 0.089 4.439 4.350 -0.000 0.000 0.197 1004 E C 1.310 177.909 176.600 -0.001 0.000 1.007 1004 E CA 0.508 56.928 56.400 0.033 0.000 0.849 1004 E CB -0.196 29.540 29.700 0.060 0.000 0.774 1004 E HN 0.839 nan 8.360 nan 0.000 0.506 1005 G N 1.295 110.095 108.800 0.001 0.000 2.176 1005 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.232 1005 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.232 1005 G C 0.297 175.184 174.900 -0.023 0.000 0.986 1005 G CA -0.100 44.966 45.100 -0.057 0.000 0.643 1005 G HN 0.167 nan 8.290 nan 0.000 0.522 1006 I N 0.458 121.025 120.570 -0.006 0.000 2.638 1006 I HA 0.534 4.704 4.170 -0.000 0.000 0.286 1006 I C 0.547 176.684 176.117 0.034 0.000 1.088 1006 I CA -0.501 60.805 61.300 0.010 0.000 1.397 1006 I CB 1.511 39.509 38.000 -0.004 0.000 1.414 1006 I HN -0.029 nan 8.210 nan 0.000 0.566 1007 V N 6.764 126.760 119.914 0.136 0.000 3.007 1007 V HA 0.544 4.664 4.120 -0.000 0.000 0.311 1007 V C -2.293 173.986 176.094 0.309 0.000 1.120 1007 V CA -1.787 60.633 62.300 0.201 0.000 0.980 1007 V CB 2.934 34.833 31.823 0.127 0.000 1.033 1007 V HN 0.612 nan 8.190 nan 0.000 0.429 1008 P HA 0.321 nan 4.420 nan 0.000 0.278 1008 P C -0.629 176.654 177.300 -0.028 0.000 1.238 1008 P CA -0.065 63.077 63.100 0.071 0.000 0.794 1008 P CB 1.235 32.916 31.700 -0.032 0.000 0.955 1009 D N 0.517 120.848 120.400 -0.115 0.000 2.305 1009 D HA 0.105 4.745 4.640 -0.000 0.000 0.206 1009 D C 0.361 176.570 176.300 -0.152 0.000 0.974 1009 D CA 1.026 54.954 54.000 -0.120 0.000 0.871 1009 D CB 0.282 40.987 40.800 -0.159 0.000 0.947 1009 D HN 0.179 nan 8.370 nan 0.000 0.516 1010 L N 0.255 121.354 121.223 -0.206 0.000 2.466 1010 L HA 0.437 4.777 4.340 -0.000 0.000 0.258 1010 L C -1.818 174.922 176.870 -0.216 0.000 0.973 1010 L CA -0.592 54.105 54.840 -0.239 0.000 0.826 1010 L CB 2.503 44.334 42.059 -0.379 0.000 1.372 1010 L HN -0.248 nan 8.230 nan 0.000 0.409 1011 I N 5.295 125.777 120.570 -0.147 0.000 2.499 1011 I HA 0.518 4.688 4.170 -0.000 0.000 0.288 1011 I C -0.508 175.577 176.117 -0.053 0.000 1.048 1011 I CA -0.638 60.606 61.300 -0.095 0.000 1.062 1011 I CB 1.824 39.804 38.000 -0.034 0.000 1.238 1011 I HN 0.565 nan 8.210 nan 0.000 0.426 1012 I N 2.525 123.072 120.570 -0.038 0.000 2.648 1012 I HA 0.553 4.723 4.170 -0.000 0.000 0.304 1012 I C -0.499 175.624 176.117 0.010 0.000 1.009 1012 I CA -0.632 60.672 61.300 0.006 0.000 1.114 1012 I CB 1.909 39.932 38.000 0.037 0.000 1.293 1012 I HN 0.498 nan 8.210 nan 0.000 0.449 1013 N N 6.562 125.278 118.700 0.026 0.000 2.470 1013 N HA 0.223 4.963 4.740 -0.000 0.000 0.268 1013 N C -1.618 173.871 175.510 -0.035 0.000 1.136 1013 N CA -1.893 51.168 53.050 0.019 0.000 0.961 1013 N CB 1.323 39.853 38.487 0.072 0.000 1.067 1013 N HN 0.513 nan 8.380 nan 0.000 0.468 1014 P HA -0.182 nan 4.420 nan 0.000 0.217 1014 P C 0.719 177.933 177.300 -0.144 0.000 1.148 1014 P CA 1.415 64.413 63.100 -0.169 0.000 0.834 1014 P CB 0.026 31.588 31.700 -0.230 0.000 0.783 1015 H N 0.204 119.262 119.070 -0.019 0.000 2.541 1015 H HA 0.069 4.625 4.556 -0.000 0.000 0.289 1015 H C 1.268 176.580 175.328 -0.026 0.000 1.054 1015 H CA 1.104 57.141 56.048 -0.019 0.000 1.250 1015 H CB -0.499 29.258 29.762 -0.009 0.000 1.369 1015 H HN 0.174 nan 8.280 nan 0.000 0.578 1016 A N 0.359 123.220 122.820 0.068 0.000 2.988 1016 A HA 0.322 4.642 4.320 -0.000 0.000 0.288 1016 A C 1.302 178.873 177.584 -0.022 0.000 1.385 1016 A CA -0.138 51.917 52.037 0.030 0.000 1.001 1016 A CB -0.452 18.565 19.000 0.028 0.000 1.071 1016 A HN 0.268 nan 8.150 nan 0.000 0.608 1017 I N -1.969 118.584 120.570 -0.028 0.000 4.079 1017 I HA 0.075 4.245 4.170 -0.000 0.000 0.276 1017 I C -1.133 174.957 176.117 -0.044 0.000 1.146 1017 I CA -0.279 60.977 61.300 -0.073 0.000 1.324 1017 I CB -0.812 37.100 38.000 -0.146 0.000 1.638 1017 I HN 0.067 nan 8.210 nan 0.000 0.436 1018 P HA -0.207 nan 4.420 nan 0.000 0.217 1018 P C 1.773 179.072 177.300 -0.002 0.000 1.158 1018 P CA 2.483 65.577 63.100 -0.010 0.000 0.887 1018 P CB -0.013 31.696 31.700 0.015 0.000 0.792 1019 S N -0.830 114.876 115.700 0.009 0.000 2.377 1019 S HA -0.071 4.398 4.470 -0.000 0.000 0.223 1019 S C 1.760 176.370 174.600 0.018 0.000 1.030 1019 S CA 0.517 58.725 58.200 0.014 0.000 0.970 1019 S CB -0.854 62.356 63.200 0.018 0.000 0.830 1019 S HN 0.076 nan 8.310 nan 0.000 0.473 1020 R N 1.644 122.156 120.500 0.020 0.000 2.339 1020 R HA 0.201 4.541 4.340 -0.000 0.000 0.199 1020 R C 0.573 176.886 176.300 0.023 0.000 1.018 1020 R CA 0.440 56.561 56.100 0.035 0.000 1.036 1020 R CB -0.932 29.398 30.300 0.049 0.000 0.899 1020 R HN 0.474 nan 8.270 nan 0.000 0.473 1021 M N 0.540 120.142 119.600 0.004 0.000 2.237 1021 M HA -0.175 4.305 4.480 -0.000 0.000 0.198 1021 M C 0.195 176.497 176.300 0.004 0.000 0.321 1021 M CA 1.165 56.463 55.300 -0.002 0.000 0.398 1021 M CB -2.471 30.132 32.600 0.006 0.000 1.251 1021 M HN 0.000 nan 8.290 nan 0.000 0.921 1022 T N 0.376 114.929 114.554 -0.001 0.000 3.629 1022 T HA 0.419 4.769 4.350 -0.000 0.000 0.317 1022 T C 1.255 175.925 174.700 -0.050 0.000 1.690 1022 T CA -0.281 61.829 62.100 0.016 0.000 1.276 1022 T CB -0.093 68.819 68.868 0.073 0.000 1.205 1022 T HN 0.282 nan 8.240 nan 0.000 0.824 1023 V N 2.992 122.880 119.914 -0.043 0.000 2.332 1023 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 1023 V C 2.941 178.962 176.094 -0.121 0.000 1.055 1023 V CA 2.108 64.361 62.300 -0.079 0.000 1.038 1023 V CB -1.183 30.618 31.823 -0.036 0.000 0.651 1023 V HN 0.845 nan 8.190 nan 0.000 0.450 1024 A N -0.390 122.373 122.820 -0.095 0.000 1.940 1024 A HA -0.386 3.934 4.320 -0.000 0.000 0.221 1024 A C 2.207 179.612 177.584 -0.298 0.000 1.190 1024 A CA 2.504 54.477 52.037 -0.106 0.000 0.647 1024 A CB -1.008 18.063 19.000 0.118 0.000 0.821 1024 A HN 0.727 nan 8.150 nan 0.000 0.457 1025 H N 0.394 118.967 119.070 -0.827 0.000 2.252 1025 H HA -0.182 4.374 4.556 -0.000 0.000 0.292 1025 H C 1.939 177.165 175.328 -0.170 0.000 1.082 1025 H CA 2.345 57.998 56.048 -0.658 0.000 1.229 1025 H CB -0.663 28.878 29.762 -0.368 0.000 1.353 1025 H HN 0.436 nan 8.280 nan 0.000 0.488 1026 L N 0.229 121.510 121.223 0.097 0.000 1.963 1026 L HA -0.268 4.072 4.340 -0.000 0.000 0.220 1026 L C 3.096 180.048 176.870 0.136 0.000 1.076 1026 L CA 1.783 56.634 54.840 0.018 0.000 0.772 1026 L CB -0.729 41.162 42.059 -0.281 0.000 0.892 1026 L HN 0.268 nan 8.230 nan 0.000 0.435 1027 I N -0.109 120.447 120.570 -0.024 0.000 2.074 1027 I HA -0.417 3.753 4.170 -0.000 0.000 0.238 1027 I C 2.637 178.818 176.117 0.107 0.000 1.037 1027 I CA 2.149 63.408 61.300 -0.068 0.000 1.301 1027 I CB -0.722 37.033 38.000 -0.409 0.000 1.016 1027 I HN 0.465 nan 8.210 nan 0.000 0.400 1028 E N 0.325 120.648 120.200 0.205 0.000 2.197 1028 E HA -0.342 4.008 4.350 -0.000 0.000 0.205 1028 E C 2.331 179.014 176.600 0.138 0.000 1.029 1028 E CA 2.196 58.736 56.400 0.233 0.000 0.828 1028 E CB -0.184 29.629 29.700 0.189 0.000 0.737 1028 E HN 0.616 nan 8.360 nan 0.000 0.464 1029 C N -0.328 119.063 119.300 0.151 0.000 2.462 1029 C HA -0.092 4.368 4.460 -0.000 0.000 0.278 1029 C C 2.598 177.583 174.990 -0.007 0.000 1.253 1029 C CA 0.774 59.841 59.018 0.083 0.000 1.713 1029 C CB -1.203 26.662 27.740 0.209 0.000 2.049 1029 C HN 0.622 nan 8.230 nan 0.000 0.477 1030 L N 0.701 121.961 121.223 0.063 0.000 1.978 1030 L HA -0.158 4.182 4.340 -0.000 0.000 0.218 1030 L C 2.323 179.192 176.870 -0.001 0.000 1.075 1030 L CA 2.189 57.035 54.840 0.009 0.000 0.767 1030 L CB -1.045 41.056 42.059 0.071 0.000 0.890 1030 L HN 0.395 nan 8.230 nan 0.000 0.434 1031 L N -1.113 120.143 121.223 0.055 0.000 1.955 1031 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 1031 L C 2.579 179.454 176.870 0.008 0.000 1.072 1031 L CA 2.251 57.128 54.840 0.063 0.000 0.755 1031 L CB -1.083 41.074 42.059 0.163 0.000 0.888 1031 L HN 0.302 nan 8.230 nan 0.000 0.432 1032 S N -0.767 114.938 115.700 0.009 0.000 2.420 1032 S HA -0.265 4.205 4.470 -0.000 0.000 0.237 1032 S C 1.909 176.472 174.600 -0.062 0.000 1.023 1032 S CA 1.641 59.829 58.200 -0.020 0.000 0.991 1032 S CB -0.340 62.860 63.200 0.001 0.000 0.792 1032 S HN 0.424 nan 8.310 nan 0.000 0.488 1033 K N 0.872 121.216 120.400 -0.094 0.000 1.967 1033 K HA -0.041 4.279 4.320 -0.000 0.000 0.212 1033 K C 2.026 178.532 176.600 -0.158 0.000 1.044 1033 K CA 1.328 57.525 56.287 -0.150 0.000 0.942 1033 K CB -0.531 31.845 32.500 -0.207 0.000 0.726 1033 K HN 0.095 nan 8.250 nan 0.000 0.440 1034 V N 1.658 121.487 119.914 -0.141 0.000 2.250 1034 V HA -0.373 3.747 4.120 -0.000 0.000 0.253 1034 V C 2.436 178.418 176.094 -0.186 0.000 1.065 1034 V CA 2.294 64.488 62.300 -0.178 0.000 1.039 1034 V CB -0.844 30.936 31.823 -0.072 0.000 0.647 1034 V HN 0.613 nan 8.190 nan 0.000 0.446 1035 A N -0.402 122.360 122.820 -0.097 0.000 1.859 1035 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 1035 A C 2.446 179.986 177.584 -0.073 0.000 1.198 1035 A CA 2.891 54.888 52.037 -0.067 0.000 0.629 1035 A CB -1.184 17.790 19.000 -0.042 0.000 0.830 1035 A HN 0.728 nan 8.150 nan 0.000 0.446 1036 A N -0.570 122.206 122.820 -0.073 0.000 1.917 1036 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 1036 A C 2.228 179.775 177.584 -0.062 0.000 1.182 1036 A CA 1.707 53.711 52.037 -0.055 0.000 0.633 1036 A CB -0.708 18.260 19.000 -0.053 0.000 0.819 1036 A HN 0.510 nan 8.150 nan 0.000 0.448 1037 L N 0.148 121.298 121.223 -0.122 0.000 1.955 1037 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 1037 L C 2.678 179.507 176.870 -0.068 0.000 1.072 1037 L CA 1.909 56.667 54.840 -0.137 0.000 0.755 1037 L CB -0.504 41.328 42.059 -0.378 0.000 0.888 1037 L HN 0.582 nan 8.230 nan 0.000 0.432 1038 S N -0.329 115.292 115.700 -0.131 0.000 2.710 1038 S HA 0.157 4.627 4.470 -0.000 0.000 0.224 1038 S C 1.319 175.949 174.600 0.050 0.000 0.948 1038 S CA 0.140 58.387 58.200 0.078 0.000 0.949 1038 S CB -0.225 63.070 63.200 0.158 0.000 0.778 1038 S HN 0.566 nan 8.310 nan 0.000 0.498 1039 G N 1.857 110.666 108.800 0.014 0.000 2.390 1039 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.299 1039 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.299 1039 G C -0.321 174.585 174.900 0.011 0.000 1.002 1039 G CA 0.088 45.196 45.100 0.013 0.000 0.979 1039 G HN 0.585 nan 8.290 nan 0.000 0.513 1040 N N -0.053 118.648 118.700 0.002 0.000 2.321 1040 N HA 0.317 5.057 4.740 -0.000 0.000 0.299 1040 N C -0.286 175.214 175.510 -0.018 0.000 1.048 1040 N CA -0.614 52.436 53.050 0.000 0.000 0.836 1040 N CB 1.576 40.072 38.487 0.015 0.000 1.269 1040 N HN 0.472 nan 8.380 nan 0.000 0.486 1041 E N 0.508 120.692 120.200 -0.027 0.000 2.366 1041 E HA 0.189 4.539 4.350 -0.000 0.000 0.266 1041 E C 0.149 176.717 176.600 -0.053 0.000 1.015 1041 E CA -0.408 55.963 56.400 -0.048 0.000 0.906 1041 E CB 0.475 30.138 29.700 -0.063 0.000 0.979 1041 E HN 0.600 nan 8.360 nan 0.000 0.443 1042 G N 3.783 112.546 108.800 -0.061 0.000 2.364 1042 G HA2 0.011 3.971 3.960 -0.000 0.000 0.267 1042 G HA3 0.011 3.971 3.960 -0.000 0.000 0.267 1042 G C -0.443 174.393 174.900 -0.107 0.000 1.233 1042 G CA -0.437 44.630 45.100 -0.055 0.000 0.885 1042 G HN 0.570 nan 8.290 nan 0.000 0.490 1043 D N 1.866 122.214 120.400 -0.087 0.000 2.494 1043 D HA 0.391 5.031 4.640 -0.000 0.000 0.217 1043 D C 0.832 176.997 176.300 -0.225 0.000 1.153 1043 D CA -0.483 53.427 54.000 -0.150 0.000 0.954 1043 D CB 0.542 41.284 40.800 -0.096 0.000 1.034 1043 D HN 0.344 nan 8.370 nan 0.000 0.518 1044 A N 2.893 125.411 122.820 -0.503 0.000 3.163 1044 A HA 0.291 4.611 4.320 -0.000 0.000 0.283 1044 A C 0.598 177.672 177.584 -0.850 0.000 1.412 1044 A CA -0.520 50.756 52.037 -1.269 0.000 1.053 1044 A CB -0.223 17.796 19.000 -1.634 0.000 1.082 1044 A HN 0.373 nan 8.150 nan 0.000 0.639 1045 S N 1.518 116.981 115.700 -0.394 0.000 2.564 1045 S HA 0.263 4.733 4.470 -0.000 0.000 0.278 1045 S C -1.425 173.109 174.600 -0.110 0.000 1.333 1045 S CA -0.834 57.221 58.200 -0.240 0.000 1.048 1045 S CB 0.912 64.008 63.200 -0.173 0.000 0.900 1045 S HN 0.358 nan 8.310 nan 0.000 0.505 1046 P HA -0.136 nan 4.420 nan 0.000 0.212 1046 P C -0.121 177.037 177.300 -0.237 0.000 0.907 1046 P CA 1.166 64.055 63.100 -0.351 0.000 0.993 1046 P CB -0.024 31.187 31.700 -0.814 0.000 0.646 1047 F N 0.040 120.149 119.950 0.265 0.000 2.600 1047 F HA 0.234 4.761 4.527 -0.000 0.000 0.345 1047 F C 1.143 177.108 175.800 0.274 0.000 1.271 1047 F CA -0.202 57.942 58.000 0.239 0.000 1.138 1047 F CB -1.237 37.883 39.000 0.200 0.000 1.449 1047 F HN 0.002 nan 8.300 nan 0.000 0.645 1048 T N -2.752 112.000 114.554 0.330 0.000 2.804 1048 T HA 0.297 4.647 4.350 -0.000 0.000 0.290 1048 T C -0.120 174.720 174.700 0.233 0.000 1.099 1048 T CA -0.941 61.328 62.100 0.282 0.000 1.011 1048 T CB 2.034 71.049 68.868 0.245 0.000 1.291 1048 T HN 0.141 nan 8.240 nan 0.000 0.523 1049 D N 0.488 121.001 120.400 0.189 0.000 2.460 1049 D HA 0.321 4.961 4.640 -0.000 0.000 0.229 1049 D C -0.073 176.310 176.300 0.138 0.000 1.170 1049 D CA -0.142 53.949 54.000 0.150 0.000 0.827 1049 D CB -0.202 40.670 40.800 0.120 0.000 0.973 1049 D HN 0.483 nan 8.370 nan 0.000 0.496 1050 I N 1.250 121.921 120.570 0.168 0.000 2.379 1050 I HA 0.025 4.195 4.170 -0.000 0.000 0.290 1050 I C 0.689 176.852 176.117 0.078 0.000 1.063 1050 I CA 0.294 61.680 61.300 0.143 0.000 1.351 1050 I CB 0.943 39.075 38.000 0.220 0.000 1.410 1050 I HN -0.270 nan 8.210 nan 0.000 0.505 1051 T N 5.364 119.944 114.554 0.044 0.000 2.934 1051 T HA 0.168 4.518 4.350 -0.000 0.000 0.283 1051 T C 1.201 175.874 174.700 -0.046 0.000 1.005 1051 T CA -0.577 61.526 62.100 0.005 0.000 1.041 1051 T CB 2.436 71.323 68.868 0.032 0.000 1.042 1051 T HN 0.307 nan 8.240 nan 0.000 0.505 1052 V N 1.470 121.341 119.914 -0.073 0.000 2.809 1052 V HA -0.065 4.055 4.120 -0.000 0.000 0.256 1052 V C 2.286 178.374 176.094 -0.010 0.000 1.080 1052 V CA 1.454 63.708 62.300 -0.077 0.000 1.102 1052 V CB -0.447 31.325 31.823 -0.085 0.000 0.705 1052 V HN 0.717 nan 8.190 nan 0.000 0.475 1053 E N 0.685 120.890 120.200 0.009 0.000 2.004 1053 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 1053 E C 2.389 179.011 176.600 0.036 0.000 0.987 1053 E CA 1.307 57.724 56.400 0.029 0.000 0.822 1053 E CB -1.082 28.637 29.700 0.032 0.000 0.779 1053 E HN 0.478 nan 8.360 nan 0.000 0.458 1054 G N 1.886 110.708 108.800 0.038 0.000 2.661 1054 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.224 1054 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.224 1054 G C 1.715 176.646 174.900 0.053 0.000 1.114 1054 G CA 1.405 46.533 45.100 0.047 0.000 0.751 1054 G HN 0.201 nan 8.290 nan 0.000 0.609 1055 I N 0.429 121.026 120.570 0.044 0.000 2.235 1055 I HA -0.116 4.054 4.170 -0.000 0.000 0.241 1055 I C 2.963 179.116 176.117 0.060 0.000 1.085 1055 I CA 1.194 62.524 61.300 0.049 0.000 1.378 1055 I CB -0.366 37.653 38.000 0.032 0.000 1.076 1055 I HN 0.112 nan 8.210 nan 0.000 0.415 1056 S N 0.760 116.494 115.700 0.056 0.000 2.400 1056 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 1056 S C 1.906 176.555 174.600 0.081 0.000 1.025 1056 S CA 1.315 59.559 58.200 0.073 0.000 0.993 1056 S CB -0.246 62.998 63.200 0.073 0.000 0.808 1056 S HN 0.365 nan 8.310 nan 0.000 0.478 1057 K N 0.815 121.257 120.400 0.071 0.000 2.057 1057 K HA 0.064 4.384 4.320 -0.000 0.000 0.206 1057 K C 1.986 178.639 176.600 0.088 0.000 1.050 1057 K CA 0.871 57.200 56.287 0.070 0.000 0.935 1057 K CB -0.267 32.267 32.500 0.057 0.000 0.715 1057 K HN 0.314 nan 8.250 nan 0.000 0.439 1058 L N 0.567 121.850 121.223 0.101 0.000 2.056 1058 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 1058 L C 2.433 179.438 176.870 0.226 0.000 1.078 1058 L CA 0.620 55.549 54.840 0.147 0.000 0.749 1058 L CB -0.479 41.661 42.059 0.135 0.000 0.901 1058 L HN 0.190 nan 8.230 nan 0.000 0.433 1059 L N 0.398 121.723 121.223 0.170 0.000 2.131 1059 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 1059 L C 2.665 179.683 176.870 0.247 0.000 1.092 1059 L CA 1.568 56.525 54.840 0.195 0.000 0.759 1059 L CB -0.571 41.552 42.059 0.108 0.000 0.903 1059 L HN 0.102 nan 8.230 nan 0.000 0.435 1060 R N 0.477 121.080 120.500 0.172 0.000 2.066 1060 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 1060 R C 2.066 178.430 176.300 0.107 0.000 1.131 1060 R CA 1.850 58.032 56.100 0.137 0.000 0.955 1060 R CB -0.686 29.669 30.300 0.092 0.000 0.851 1060 R HN 0.533 nan 8.270 nan 0.000 0.432 1061 E N -0.530 119.721 120.200 0.085 0.000 2.333 1061 E HA -0.202 4.148 4.350 -0.000 0.000 0.200 1061 E C 0.789 177.347 176.600 -0.071 0.000 1.010 1061 E CA 0.908 57.307 56.400 -0.001 0.000 0.841 1061 E CB -0.145 29.543 29.700 -0.020 0.000 0.757 1061 E HN 0.521 nan 8.360 nan 0.000 0.508 1062 H N -0.807 118.301 119.070 0.063 0.000 2.519 1062 H HA 0.129 4.685 4.556 -0.000 0.000 0.289 1062 H C 1.091 176.421 175.328 0.004 0.000 1.040 1062 H CA 0.615 56.710 56.048 0.079 0.000 1.165 1062 H CB 0.616 30.480 29.762 0.170 0.000 1.462 1062 H HN 0.294 nan 8.280 nan 0.000 0.555 1063 G N 0.789 109.602 108.800 0.022 0.000 2.179 1063 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 1063 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 1063 G C -0.355 174.406 174.900 -0.230 0.000 1.010 1063 G CA 0.279 45.303 45.100 -0.126 0.000 0.736 1063 G HN 0.438 nan 8.290 nan 0.000 0.513 1064 Y N -1.019 119.327 120.300 0.076 0.000 2.485 1064 Y HA 0.539 5.089 4.550 -0.000 0.000 0.345 1064 Y C 0.522 176.460 175.900 0.064 0.000 0.998 1064 Y CA -1.028 57.108 58.100 0.061 0.000 1.059 1064 Y CB 1.391 39.884 38.460 0.055 0.000 1.234 1064 Y HN 0.236 nan 8.280 nan 0.000 0.461 1065 Q N 1.223 121.179 119.800 0.260 0.000 2.269 1065 Q HA -0.021 4.319 4.340 -0.000 0.000 0.300 1065 Q C 0.734 176.845 176.000 0.185 0.000 1.070 1065 Q CA 0.666 56.581 55.803 0.186 0.000 0.957 1065 Q CB 0.973 29.827 28.738 0.193 0.000 1.131 1065 Q HN 0.704 nan 8.270 nan 0.000 0.377 1066 S N 3.664 119.455 115.700 0.151 0.000 2.711 1066 S HA -0.056 4.414 4.470 -0.000 0.000 0.237 1066 S C 0.574 175.268 174.600 0.156 0.000 0.971 1066 S CA 0.445 58.727 58.200 0.137 0.000 0.964 1066 S CB -0.057 63.207 63.200 0.107 0.000 0.775 1066 S HN 0.698 nan 8.310 nan 0.000 0.540 1067 R N -0.722 119.909 120.500 0.220 0.000 2.513 1067 R HA 0.351 4.691 4.340 -0.000 0.000 0.245 1067 R C 1.580 177.999 176.300 0.198 0.000 0.908 1067 R CA 0.687 56.955 56.100 0.280 0.000 1.023 1067 R CB -0.043 30.535 30.300 0.464 0.000 1.338 1067 R HN 0.549 nan 8.270 nan 0.000 0.575 1068 G N 0.526 109.358 108.800 0.053 0.000 2.260 1068 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.179 1068 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.179 1068 G C -0.079 174.661 174.900 -0.267 0.000 1.002 1068 G CA -0.588 44.301 45.100 -0.351 0.000 0.677 1068 G HN 0.096 nan 8.290 nan 0.000 0.486 1069 F N 1.595 121.567 119.950 0.037 0.000 2.410 1069 F HA 0.633 5.160 4.527 -0.000 0.000 0.334 1069 F C 0.913 176.732 175.800 0.032 0.000 1.134 1069 F CA 0.153 58.193 58.000 0.068 0.000 1.227 1069 F CB 0.804 39.857 39.000 0.088 0.000 1.194 1069 F HN 0.045 nan 8.300 nan 0.000 0.571 1070 E N 0.618 120.941 120.200 0.206 0.000 2.343 1070 E HA 0.233 4.583 4.350 -0.000 0.000 0.288 1070 E C -1.432 175.182 176.600 0.023 0.000 0.907 1070 E CA -0.718 55.738 56.400 0.094 0.000 0.792 1070 E CB 2.184 31.879 29.700 -0.008 0.000 1.275 1070 E HN 0.200 nan 8.360 nan 0.000 0.402 1071 V N 3.946 123.857 119.914 -0.005 0.000 2.752 1071 V HA -0.066 4.054 4.120 -0.000 0.000 0.306 1071 V C 0.329 176.308 176.094 -0.191 0.000 1.099 1071 V CA 1.104 63.332 62.300 -0.120 0.000 1.240 1071 V CB -0.036 31.695 31.823 -0.153 0.000 0.887 1071 V HN 0.679 nan 8.190 nan 0.000 0.499 1072 M N 4.616 124.032 119.600 -0.307 0.000 2.501 1072 M HA 0.485 4.965 4.480 -0.000 0.000 0.293 1072 M C -1.724 174.261 176.300 -0.525 0.000 1.192 1072 M CA -0.581 54.532 55.300 -0.311 0.000 0.886 1072 M CB 2.643 35.124 32.600 -0.199 0.000 1.710 1072 M HN 0.535 nan 8.290 nan 0.000 0.457 1073 Y N 0.762 120.654 120.300 -0.680 0.000 2.360 1073 Y HA 0.313 4.863 4.550 -0.000 0.000 0.337 1073 Y C 0.499 175.889 175.900 -0.850 0.000 1.039 1073 Y CA -1.216 56.371 58.100 -0.854 0.000 1.109 1073 Y CB 0.589 38.351 38.460 -1.163 0.000 1.201 1073 Y HN 0.548 nan 8.280 nan 0.000 0.458 1074 N N 1.852 120.419 118.700 -0.221 0.000 2.434 1074 N HA -0.042 4.698 4.740 -0.000 0.000 0.268 1074 N C 1.196 176.748 175.510 0.069 0.000 1.256 1074 N CA 0.791 53.826 53.050 -0.025 0.000 0.914 1074 N CB 1.278 39.757 38.487 -0.015 0.000 1.088 1074 N HN 1.041 nan 8.380 nan 0.000 0.478 1075 G N 3.765 112.690 108.800 0.208 0.000 2.505 1075 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 1075 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 1075 G C 1.102 176.215 174.900 0.354 0.000 1.145 1075 G CA 1.002 46.326 45.100 0.373 0.000 0.761 1075 G HN 0.731 nan 8.290 nan 0.000 0.571 1076 H N 0.147 119.275 119.070 0.096 0.000 2.267 1076 H HA -0.022 4.534 4.556 -0.000 0.000 0.297 1076 H C 2.915 178.278 175.328 0.060 0.000 1.080 1076 H CA 1.760 57.827 56.048 0.032 0.000 1.278 1076 H CB -1.059 28.682 29.762 -0.035 0.000 1.365 1076 H HN 0.277 nan 8.280 nan 0.000 0.489 1077 T N -1.313 113.366 114.554 0.207 0.000 2.978 1077 T HA 0.148 4.498 4.350 -0.000 0.000 0.262 1077 T C 1.746 176.542 174.700 0.160 0.000 1.063 1077 T CA 1.360 63.545 62.100 0.141 0.000 1.140 1077 T CB -0.327 68.597 68.868 0.092 0.000 0.886 1077 T HN 0.716 nan 8.240 nan 0.000 0.470 1078 G N 1.545 110.477 108.800 0.221 0.000 2.253 1078 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 1078 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 1078 G C 0.323 175.383 174.900 0.265 0.000 0.998 1078 G CA 0.625 45.910 45.100 0.308 0.000 0.621 1078 G HN 0.585 nan 8.290 nan 0.000 0.524 1079 K N 0.916 121.417 120.400 0.169 0.000 2.156 1079 K HA 0.425 4.745 4.320 -0.000 0.000 0.242 1079 K C 0.691 177.359 176.600 0.113 0.000 1.033 1079 K CA -0.086 56.287 56.287 0.144 0.000 0.878 1079 K CB 0.201 32.740 32.500 0.065 0.000 1.057 1079 K HN 0.260 nan 8.250 nan 0.000 0.505 1080 K N 1.154 121.549 120.400 -0.009 0.000 2.098 1080 K HA 0.253 4.573 4.320 -0.000 0.000 0.257 1080 K C -0.453 176.017 176.600 -0.217 0.000 0.999 1080 K CA -0.482 55.616 56.287 -0.316 0.000 0.924 1080 K CB 0.727 33.021 32.500 -0.343 0.000 1.028 1080 K HN 0.376 nan 8.250 nan 0.000 0.466 1081 L N 3.174 124.231 121.223 -0.277 0.000 2.265 1081 L HA 0.118 4.458 4.340 -0.000 0.000 0.288 1081 L C 1.187 177.986 176.870 -0.119 0.000 1.058 1081 L CA -0.418 54.333 54.840 -0.148 0.000 0.809 1081 L CB 1.041 43.027 42.059 -0.123 0.000 1.179 1081 L HN 0.719 nan 8.230 nan 0.000 0.429 1082 M N 3.702 123.258 119.600 -0.073 0.000 2.426 1082 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 1082 M C 0.480 176.753 176.300 -0.045 0.000 1.068 1082 M CA 0.958 56.225 55.300 -0.056 0.000 1.066 1082 M CB -0.279 32.300 32.600 -0.035 0.000 1.399 1082 M HN 0.525 nan 8.290 nan 0.000 0.449 1083 A N 0.256 123.058 122.820 -0.030 0.000 2.311 1083 A HA 0.621 4.941 4.320 -0.000 0.000 0.306 1083 A C -0.531 177.070 177.584 0.029 0.000 1.189 1083 A CA -0.882 51.156 52.037 0.001 0.000 0.791 1083 A CB 0.531 19.546 19.000 0.026 0.000 1.172 1083 A HN 0.370 nan 8.150 nan 0.000 0.481 1084 Q N 0.677 120.505 119.800 0.047 0.000 2.474 1084 Q HA 0.517 4.857 4.340 -0.000 0.000 0.256 1084 Q C -0.459 175.728 176.000 0.311 0.000 1.048 1084 Q CA 0.855 56.735 55.803 0.129 0.000 0.922 1084 Q CB 0.573 29.385 28.738 0.124 0.000 1.288 1084 Q HN 0.670 nan 8.270 nan 0.000 0.484 1085 I N 0.546 121.282 120.570 0.276 0.000 2.646 1085 I HA 0.285 4.455 4.170 -0.000 0.000 0.299 1085 I C -0.762 175.422 176.117 0.113 0.000 1.036 1085 I CA -1.103 60.330 61.300 0.222 0.000 1.074 1085 I CB 1.278 39.365 38.000 0.144 0.000 1.258 1085 I HN 0.480 nan 8.210 nan 0.000 0.430 1086 F N 5.604 125.410 119.950 -0.239 0.000 2.494 1086 F HA 0.264 4.791 4.527 -0.000 0.000 0.369 1086 F C -0.809 174.931 175.800 -0.100 0.000 1.098 1086 F CA 0.077 57.854 58.000 -0.372 0.000 1.154 1086 F CB -0.080 38.669 39.000 -0.419 0.000 1.103 1086 F HN 0.157 nan 8.300 nan 0.000 0.549 1087 F N 4.657 124.296 119.950 -0.518 0.000 2.539 1087 F HA 0.721 5.248 4.527 -0.000 0.000 0.318 1087 F C -0.131 175.384 175.800 -0.475 0.000 1.135 1087 F CA -0.254 57.525 58.000 -0.368 0.000 0.915 1087 F CB 1.519 40.386 39.000 -0.222 0.000 1.176 1087 F HN 0.589 nan 8.300 nan 0.000 0.440 1088 G N 4.849 113.322 108.800 -0.545 0.000 2.441 1088 G HA2 0.444 4.404 3.960 -0.000 0.000 0.294 1088 G HA3 0.444 4.404 3.960 -0.000 0.000 0.294 1088 G C -3.521 171.179 174.900 -0.334 0.000 1.393 1088 G CA -1.007 43.872 45.100 -0.367 0.000 0.796 1088 G HN 0.286 nan 8.290 nan 0.000 0.494 1089 P HA 0.500 nan 4.420 nan 0.000 0.294 1089 P C -0.995 176.275 177.300 -0.049 0.000 1.294 1089 P CA -0.145 62.876 63.100 -0.132 0.000 0.827 1089 P CB 1.851 33.501 31.700 -0.084 0.000 0.992 1090 T N 2.334 116.890 114.554 0.003 0.000 2.991 1090 T HA 0.167 4.517 4.350 -0.000 0.000 0.303 1090 T C -0.878 173.981 174.700 0.265 0.000 1.015 1090 T CA -0.306 61.868 62.100 0.124 0.000 1.007 1090 T CB 0.542 69.498 68.868 0.147 0.000 1.034 1090 T HN 0.203 nan 8.240 nan 0.000 0.446 1091 Y N 3.285 123.659 120.300 0.124 0.000 2.677 1091 Y HA 0.267 4.817 4.550 -0.000 0.000 0.335 1091 Y C -0.896 175.147 175.900 0.239 0.000 1.162 1091 Y CA 0.185 58.377 58.100 0.153 0.000 1.483 1091 Y CB -0.021 38.475 38.460 0.061 0.000 1.209 1091 Y HN 0.554 nan 8.280 nan 0.000 0.528 1092 Y N 3.867 124.070 120.300 -0.161 0.000 2.409 1092 Y HA 0.364 4.914 4.550 -0.000 0.000 0.343 1092 Y C -0.280 175.652 175.900 0.052 0.000 0.973 1092 Y CA -1.118 56.999 58.100 0.029 0.000 1.064 1092 Y CB 1.602 40.153 38.460 0.152 0.000 1.207 1092 Y HN 0.485 nan 8.280 nan 0.000 0.452 1093 Q N 2.843 122.681 119.800 0.064 0.000 2.222 1093 Q HA 0.445 4.785 4.340 -0.000 0.000 0.252 1093 Q C -0.481 175.518 176.000 -0.002 0.000 0.926 1093 Q CA -1.003 54.841 55.803 0.068 0.000 0.899 1093 Q CB 1.924 30.681 28.738 0.032 0.000 1.250 1093 Q HN 0.460 nan 8.270 nan 0.000 0.441 1094 R N 2.960 123.425 120.500 -0.058 0.000 2.278 1094 R HA 0.289 4.629 4.340 -0.000 0.000 0.322 1094 R C -0.817 175.310 176.300 -0.288 0.000 1.058 1094 R CA -0.250 55.660 56.100 -0.317 0.000 0.991 1094 R CB 0.056 30.248 30.300 -0.180 0.000 1.140 1094 R HN 0.580 nan 8.270 nan 0.000 0.518 1095 L N 4.441 125.449 121.223 -0.359 0.000 2.452 1095 L HA 0.283 4.623 4.340 -0.000 0.000 0.267 1095 L C 1.120 177.823 176.870 -0.278 0.000 1.188 1095 L CA -0.332 54.354 54.840 -0.256 0.000 0.821 1095 L CB 0.373 42.306 42.059 -0.211 0.000 1.102 1095 L HN 0.568 nan 8.230 nan 0.000 0.470 1096 R N 0.618 120.969 120.500 -0.248 0.000 2.652 1096 R HA 0.304 4.644 4.340 -0.000 0.000 0.272 1096 R C -0.840 175.316 176.300 -0.241 0.000 1.162 1096 R CA -0.618 55.315 56.100 -0.279 0.000 1.199 1096 R CB 0.351 30.449 30.300 -0.336 0.000 1.166 1096 R HN 0.659 nan 8.270 nan 0.000 0.597 1097 H N -0.611 118.348 119.070 -0.185 0.000 3.685 1097 H HA -0.076 4.480 4.556 -0.000 0.000 0.369 1097 H C -1.298 173.917 175.328 -0.189 0.000 1.080 1097 H CA 0.473 56.419 56.048 -0.171 0.000 1.157 1097 H CB -1.083 28.585 29.762 -0.157 0.000 1.461 1097 H HN 0.618 nan 8.280 nan 0.000 0.387 1098 M N 2.490 122.047 119.600 -0.072 0.000 2.311 1098 M HA 0.267 4.747 4.480 -0.000 0.000 0.325 1098 M C 1.829 178.080 176.300 -0.082 0.000 1.061 1098 M CA -0.838 54.393 55.300 -0.114 0.000 0.957 1098 M CB 2.317 34.823 32.600 -0.157 0.000 1.646 1098 M HN 0.137 nan 8.290 nan 0.000 0.434 1099 V N 1.701 121.572 119.914 -0.071 0.000 2.243 1099 V HA -0.391 3.729 4.120 -0.000 0.000 0.258 1099 V C 1.584 177.650 176.094 -0.046 0.000 1.073 1099 V CA 2.499 64.768 62.300 -0.051 0.000 1.069 1099 V CB -0.530 31.270 31.823 -0.038 0.000 0.681 1099 V HN 0.907 nan 8.190 nan 0.000 0.457 1100 D N -0.363 120.005 120.400 -0.052 0.000 2.203 1100 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 1100 D C 1.687 177.955 176.300 -0.052 0.000 0.997 1100 D CA 1.396 55.368 54.000 -0.047 0.000 0.863 1100 D CB -0.428 40.341 40.800 -0.052 0.000 0.928 1100 D HN 0.544 nan 8.370 nan 0.000 0.458 1101 D N -0.540 119.814 120.400 -0.076 0.000 2.363 1101 D HA -0.009 4.631 4.640 -0.000 0.000 0.226 1101 D C 1.455 177.736 176.300 -0.030 0.000 1.020 1101 D CA 0.510 54.465 54.000 -0.075 0.000 0.892 1101 D CB 0.243 40.976 40.800 -0.112 0.000 0.900 1101 D HN 0.318 nan 8.370 nan 0.000 0.531 1102 K N -0.370 120.017 120.400 -0.022 0.000 2.474 1102 K HA 0.228 4.548 4.320 -0.000 0.000 0.202 1102 K C 1.494 178.109 176.600 0.025 0.000 1.248 1102 K CA -0.081 56.202 56.287 -0.006 0.000 0.946 1102 K CB 0.748 33.229 32.500 -0.032 0.000 1.102 1102 K HN 0.020 nan 8.250 nan 0.000 0.541 1103 I N 2.705 123.283 120.570 0.013 0.000 3.292 1103 I HA -0.222 3.948 4.170 -0.000 0.000 0.309 1103 I C 0.812 176.957 176.117 0.047 0.000 1.258 1103 I CA 0.425 61.735 61.300 0.017 0.000 1.339 1103 I CB -1.912 36.089 38.000 0.001 0.000 1.062 1103 I HN 0.208 nan 8.210 nan 0.000 0.579 1104 H N 2.605 121.664 119.070 -0.017 0.000 3.144 1104 H HA 0.215 4.771 4.556 -0.000 0.000 0.336 1104 H C -0.018 175.306 175.328 -0.007 0.000 1.065 1104 H CA 0.214 56.256 56.048 -0.011 0.000 1.338 1104 H CB 0.464 30.221 29.762 -0.009 0.000 1.251 1104 H HN 0.377 nan 8.280 nan 0.000 0.602 1105 A N 5.348 127.699 122.820 -0.783 0.000 2.495 1105 A HA 0.354 4.674 4.320 -0.000 0.000 0.297 1105 A C -0.548 176.765 177.584 -0.451 0.000 1.036 1105 A CA -0.663 51.016 52.037 -0.597 0.000 0.982 1105 A CB 0.643 19.504 19.000 -0.232 0.000 1.476 1105 A HN 0.824 nan 8.150 nan 0.000 0.393 1106 R N 1.847 122.088 120.500 -0.431 0.000 2.668 1106 R HA 0.833 5.173 4.340 -0.000 0.000 0.279 1106 R C -0.359 175.900 176.300 -0.068 0.000 0.976 1106 R CA 0.043 56.077 56.100 -0.110 0.000 0.978 1106 R CB 1.713 32.049 30.300 0.060 0.000 1.133 1106 R HN 1.303 nan 8.270 nan 0.000 0.484 1107 A N 4.407 127.208 122.820 -0.032 0.000 3.370 1107 A HA 0.255 4.575 4.320 -0.000 0.000 0.295 1107 A C -0.848 176.724 177.584 -0.020 0.000 1.030 1107 A CA -0.496 51.523 52.037 -0.031 0.000 0.883 1107 A CB 0.011 18.991 19.000 -0.034 0.000 1.191 1107 A HN 0.964 nan 8.150 nan 0.000 0.507 1108 R N -0.705 119.787 120.500 -0.015 0.000 2.022 1108 R HA -0.084 4.256 4.340 -0.000 0.000 0.372 1108 R C -0.040 176.258 176.300 -0.003 0.000 1.161 1108 R CA 0.968 57.060 56.100 -0.013 0.000 0.928 1108 R CB -1.608 28.677 30.300 -0.025 0.000 2.817 1108 R HN 1.462 nan 8.270 nan 0.000 0.489 1109 G N 3.334 112.139 108.800 0.008 0.000 3.356 1109 G HA2 0.715 4.675 3.960 -0.000 0.000 0.178 1109 G HA3 0.715 4.675 3.960 -0.000 0.000 0.178 1109 G C -2.378 172.527 174.900 0.007 0.000 1.130 1109 G CA -0.279 44.829 45.100 0.014 0.000 0.800 1109 G HN 0.599 nan 8.290 nan 0.000 0.669 1110 P HA 0.380 nan 4.420 nan 0.000 0.279 1110 P C -0.855 176.443 177.300 -0.003 0.000 1.239 1110 P CA 0.109 63.211 63.100 0.003 0.000 0.789 1110 P CB 1.526 33.231 31.700 0.010 0.000 0.933 1111 M N 1.184 120.774 119.600 -0.017 0.000 2.598 1111 M HA 0.311 4.791 4.480 -0.000 0.000 0.317 1111 M C 0.411 176.696 176.300 -0.025 0.000 1.179 1111 M CA -0.904 54.383 55.300 -0.022 0.000 0.936 1111 M CB 2.111 34.686 32.600 -0.041 0.000 1.713 1111 M HN 0.379 nan 8.290 nan 0.000 0.460 1112 Q N 0.626 120.417 119.800 -0.014 0.000 2.361 1112 Q HA 0.073 4.413 4.340 -0.000 0.000 0.276 1112 Q C 0.901 176.887 176.000 -0.024 0.000 1.022 1112 Q CA -0.224 55.575 55.803 -0.007 0.000 0.898 1112 Q CB 1.222 29.967 28.738 0.012 0.000 1.246 1112 Q HN 0.557 nan 8.270 nan 0.000 0.410 1113 V N 3.482 123.383 119.914 -0.021 0.000 2.548 1113 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 1113 V C 1.698 177.787 176.094 -0.009 0.000 1.055 1113 V CA 1.199 63.475 62.300 -0.040 0.000 1.065 1113 V CB -0.418 31.390 31.823 -0.025 0.000 0.681 1113 V HN 0.679 nan 8.190 nan 0.000 0.462 1114 L N 0.292 121.540 121.223 0.041 0.000 2.109 1114 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 1114 L C 2.083 179.085 176.870 0.220 0.000 1.086 1114 L CA 2.331 57.233 54.840 0.105 0.000 0.760 1114 L CB -0.518 41.580 42.059 0.066 0.000 0.910 1114 L HN 0.359 nan 8.230 nan 0.000 0.437 1115 T N -1.721 112.934 114.554 0.168 0.000 3.010 1115 T HA 0.204 4.554 4.350 -0.000 0.000 0.257 1115 T C 0.639 175.501 174.700 0.271 0.000 1.020 1115 T CA -0.166 62.077 62.100 0.238 0.000 0.938 1115 T CB 0.211 69.139 68.868 0.102 0.000 1.049 1115 T HN 0.249 nan 8.240 nan 0.000 0.522 1116 R N 0.817 121.350 120.500 0.054 0.000 3.770 1116 R HA -0.152 4.188 4.340 -0.000 0.000 0.305 1116 R C -0.313 175.978 176.300 -0.015 0.000 1.184 1116 R CA 0.535 56.580 56.100 -0.091 0.000 0.823 1116 R CB -1.847 28.263 30.300 -0.317 0.000 1.285 1116 R HN 0.504 nan 8.270 nan 0.000 0.499 1117 Q N -0.031 119.781 119.800 0.020 0.000 2.306 1117 Q HA 0.380 4.720 4.340 -0.000 0.000 0.265 1117 Q C -2.406 173.599 176.000 0.008 0.000 1.022 1117 Q CA -2.338 53.476 55.803 0.019 0.000 0.853 1117 Q CB 1.867 30.626 28.738 0.034 0.000 1.327 1117 Q HN -0.168 nan 8.270 nan 0.000 0.449 1118 P HA -0.155 nan 4.420 nan 0.000 0.266 1118 P C -0.750 176.559 177.300 0.016 0.000 1.180 1118 P CA 0.203 63.310 63.100 0.012 0.000 0.765 1118 P CB 0.321 32.034 31.700 0.021 0.000 0.806 1119 V N 0.159 120.081 119.914 0.013 0.000 3.083 1119 V HA 0.339 4.459 4.120 -0.000 0.000 0.306 1119 V C 0.330 176.425 176.094 0.002 0.000 1.077 1119 V CA -0.497 61.806 62.300 0.006 0.000 1.073 1119 V CB 0.765 32.588 31.823 0.000 0.000 1.081 1119 V HN 0.501 nan 8.190 nan 0.000 0.474 1120 E N 1.073 121.268 120.200 -0.007 0.000 2.312 1120 E HA 0.553 4.903 4.350 -0.000 0.000 0.259 1120 E C 0.366 176.934 176.600 -0.053 0.000 1.122 1120 E CA 0.160 56.549 56.400 -0.018 0.000 0.922 1120 E CB 1.139 30.833 29.700 -0.009 0.000 1.109 1120 E HN 1.811 nan 8.360 nan 0.000 0.442 1121 G N 1.305 110.059 108.800 -0.077 0.000 2.825 1121 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.684 1121 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.684 1121 G C 0.271 175.014 174.900 -0.262 0.000 1.528 1121 G CA 0.285 45.311 45.100 -0.124 0.000 0.963 1121 G HN 0.766 nan 8.290 nan 0.000 0.577 1122 R N -0.375 119.925 120.500 -0.335 0.000 2.237 1122 R HA 0.208 4.548 4.340 -0.000 0.000 0.195 1122 R C 2.554 178.718 176.300 -0.227 0.000 0.956 1122 R CA 1.446 57.209 56.100 -0.561 0.000 1.029 1122 R CB -0.308 29.677 30.300 -0.524 0.000 0.972 1122 R HN 0.947 nan 8.270 nan 0.000 0.493 1123 S N 1.172 116.800 115.700 -0.120 0.000 2.442 1123 S HA -0.074 4.396 4.470 -0.000 0.000 0.236 1123 S C 1.653 176.232 174.600 -0.035 0.000 1.007 1123 S CA 0.678 58.852 58.200 -0.043 0.000 0.965 1123 S CB -0.176 63.016 63.200 -0.013 0.000 0.773 1123 S HN 0.469 nan 8.310 nan 0.000 0.504 1124 R N 0.670 121.130 120.500 -0.065 0.000 2.397 1124 R HA 0.201 4.541 4.340 -0.000 0.000 0.241 1124 R C -0.310 175.969 176.300 -0.035 0.000 0.914 1124 R CA 0.469 56.547 56.100 -0.037 0.000 1.071 1124 R CB 0.037 30.318 30.300 -0.032 0.000 1.116 1124 R HN 0.360 nan 8.270 nan 0.000 0.524 1125 D N 0.595 120.951 120.400 -0.073 0.000 2.760 1125 D HA -0.109 4.531 4.640 -0.000 0.000 0.244 1125 D C 0.041 176.366 176.300 0.042 0.000 1.123 1125 D CA 0.958 54.971 54.000 0.022 0.000 0.719 1125 D CB -1.060 39.778 40.800 0.063 0.000 1.045 1125 D HN 0.384 nan 8.370 nan 0.000 0.426 1126 G N -0.552 108.211 108.800 -0.062 0.000 2.574 1126 G HA2 0.743 4.703 3.960 -0.000 0.000 0.248 1126 G HA3 0.743 4.703 3.960 -0.000 0.000 0.248 1126 G C 0.503 175.507 174.900 0.174 0.000 1.422 1126 G CA -0.076 45.037 45.100 0.021 0.000 1.051 1126 G HN 0.594 nan 8.290 nan 0.000 0.560 1127 G N -1.719 107.157 108.800 0.126 0.000 2.537 1127 G HA2 0.557 4.517 3.960 -0.000 0.000 0.308 1127 G HA3 0.557 4.517 3.960 -0.000 0.000 0.308 1127 G C -0.934 174.050 174.900 0.140 0.000 1.237 1127 G CA -0.809 44.378 45.100 0.145 0.000 0.968 1127 G HN 0.507 nan 8.290 nan 0.000 0.481 1128 L N 0.161 121.462 121.223 0.131 0.000 2.375 1128 L HA 0.457 4.797 4.340 -0.000 0.000 0.271 1128 L C 0.775 177.718 176.870 0.120 0.000 1.107 1128 L CA -0.949 53.965 54.840 0.122 0.000 0.806 1128 L CB 1.318 43.445 42.059 0.113 0.000 1.146 1128 L HN 0.454 nan 8.230 nan 0.000 0.447 1129 R N 1.850 122.410 120.500 0.100 0.000 2.351 1129 R HA 0.035 4.375 4.340 -0.000 0.000 0.318 1129 R C -0.624 175.758 176.300 0.136 0.000 1.055 1129 R CA 0.312 56.471 56.100 0.098 0.000 0.968 1129 R CB -0.075 30.255 30.300 0.049 0.000 0.974 1129 R HN 0.398 nan 8.270 nan 0.000 0.439 1130 F N 5.339 125.303 119.950 0.023 0.000 2.899 1130 F HA 0.447 4.974 4.527 -0.000 0.000 0.308 1130 F C 0.738 176.554 175.800 0.027 0.000 1.221 1130 F CA -0.439 57.581 58.000 0.033 0.000 1.265 1130 F CB 0.040 39.059 39.000 0.031 0.000 1.253 1130 F HN 0.709 nan 8.300 nan 0.000 0.534 1131 G N 1.021 109.794 108.800 -0.046 0.000 2.661 1131 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.272 1131 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.272 1131 G C 0.969 175.799 174.900 -0.118 0.000 1.296 1131 G CA -0.212 44.858 45.100 -0.050 0.000 0.998 1131 G HN 0.444 nan 8.290 nan 0.000 0.553 1132 E N -0.839 119.325 120.200 -0.059 0.000 2.082 1132 E HA -0.298 4.052 4.350 -0.000 0.000 0.215 1132 E C 2.527 179.068 176.600 -0.098 0.000 1.048 1132 E CA 1.963 58.331 56.400 -0.054 0.000 0.869 1132 E CB -0.229 29.450 29.700 -0.034 0.000 0.773 1132 E HN 0.517 nan 8.360 nan 0.000 0.466 1133 M N 0.331 119.866 119.600 -0.110 0.000 2.082 1133 M HA -0.241 4.239 4.480 -0.000 0.000 0.258 1133 M C 2.009 178.201 176.300 -0.180 0.000 1.069 1133 M CA 1.732 56.960 55.300 -0.120 0.000 1.102 1133 M CB -0.029 32.511 32.600 -0.100 0.000 1.336 1133 M HN -0.025 nan 8.290 nan 0.000 0.404 1134 E N -0.511 119.499 120.200 -0.316 0.000 2.077 1134 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 1134 E C 1.885 178.228 176.600 -0.429 0.000 0.989 1134 E CA 1.081 57.183 56.400 -0.496 0.000 0.800 1134 E CB -0.415 28.675 29.700 -1.017 0.000 0.746 1134 E HN 0.383 nan 8.360 nan 0.000 0.452 1135 R N 0.868 121.150 120.500 -0.364 0.000 2.082 1135 R HA -0.193 4.146 4.340 -0.000 0.000 0.234 1135 R C 1.363 177.678 176.300 0.025 0.000 1.136 1135 R CA 1.972 58.068 56.100 -0.007 0.000 0.935 1135 R CB -0.342 29.994 30.300 0.061 0.000 0.842 1135 R HN 0.176 nan 8.270 nan 0.000 0.430 1136 D N 0.319 120.701 120.400 -0.031 0.000 2.149 1136 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 1136 D C 2.033 178.310 176.300 -0.039 0.000 1.001 1136 D CA 1.553 55.537 54.000 -0.027 0.000 0.849 1136 D CB -0.612 40.160 40.800 -0.047 0.000 0.939 1136 D HN 0.377 nan 8.370 nan 0.000 0.449 1137 C N 0.743 120.008 119.300 -0.058 0.000 2.432 1137 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 1137 C C 2.772 177.749 174.990 -0.022 0.000 1.249 1137 C CA 0.371 59.337 59.018 -0.087 0.000 1.725 1137 C CB -0.700 27.010 27.740 -0.049 0.000 2.028 1137 C HN 0.340 nan 8.230 nan 0.000 0.477 1138 M N 0.721 120.398 119.600 0.128 0.000 2.117 1138 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 1138 M C 1.985 178.382 176.300 0.161 0.000 1.065 1138 M CA 1.569 57.011 55.300 0.237 0.000 1.114 1138 M CB -1.374 31.474 32.600 0.413 0.000 1.361 1138 M HN 0.377 nan 8.290 nan 0.000 0.408 1139 I N 0.124 120.758 120.570 0.107 0.000 2.208 1139 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 1139 I C 2.510 178.640 176.117 0.022 0.000 1.097 1139 I CA 1.291 62.633 61.300 0.070 0.000 1.363 1139 I CB -0.707 37.321 38.000 0.046 0.000 1.051 1139 I HN 0.227 nan 8.210 nan 0.000 0.413 1140 A N -0.177 122.615 122.820 -0.047 0.000 1.972 1140 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 1140 A C 2.029 179.530 177.584 -0.139 0.000 1.169 1140 A CA 1.490 53.452 52.037 -0.124 0.000 0.635 1140 A CB -0.796 18.072 19.000 -0.220 0.000 0.810 1140 A HN 0.447 nan 8.150 nan 0.000 0.446 1141 H N -1.039 118.028 119.070 -0.004 0.000 2.547 1141 H HA 0.169 4.725 4.556 -0.000 0.000 0.266 1141 H C 1.771 177.095 175.328 -0.006 0.000 0.988 1141 H CA 0.497 56.534 56.048 -0.018 0.000 1.147 1141 H CB -0.208 29.525 29.762 -0.047 0.000 1.365 1141 H HN 0.607 nan 8.280 nan 0.000 0.589 1142 G N 0.800 109.662 108.800 0.104 0.000 2.168 1142 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 1142 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 1142 G C 0.635 175.588 174.900 0.088 0.000 0.997 1142 G CA 0.438 45.585 45.100 0.078 0.000 0.708 1142 G HN 0.631 nan 8.290 nan 0.000 0.520 1143 A N -0.171 122.719 122.820 0.116 0.000 3.078 1143 A HA 0.817 5.137 4.320 -0.000 0.000 0.279 1143 A C 1.745 179.425 177.584 0.161 0.000 1.594 1143 A CA 0.948 53.053 52.037 0.113 0.000 1.301 1143 A CB -0.284 18.754 19.000 0.064 0.000 1.162 1143 A HN 1.712 nan 8.150 nan 0.000 0.585 1144 A N 1.028 123.918 122.820 0.118 0.000 1.859 1144 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 1144 A C 2.504 180.156 177.584 0.112 0.000 1.198 1144 A CA 2.400 54.501 52.037 0.107 0.000 0.629 1144 A CB -0.886 18.157 19.000 0.071 0.000 0.830 1144 A HN 0.595 nan 8.150 nan 0.000 0.446 1145 S N -1.367 114.394 115.700 0.101 0.000 2.359 1145 S HA -0.194 4.276 4.470 -0.000 0.000 0.223 1145 S C 1.665 176.317 174.600 0.088 0.000 1.039 1145 S CA 1.701 59.948 58.200 0.079 0.000 1.042 1145 S CB -0.588 62.654 63.200 0.070 0.000 0.915 1145 S HN 0.620 nan 8.310 nan 0.000 0.439 1146 F N 2.067 122.015 119.950 -0.004 0.000 2.063 1146 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 1146 F C 2.008 177.782 175.800 -0.043 0.000 1.109 1146 F CA 1.511 59.496 58.000 -0.024 0.000 1.212 1146 F CB -0.575 38.423 39.000 -0.003 0.000 0.973 1146 F HN 0.135 nan 8.300 nan 0.000 0.480 1147 L N 0.616 121.943 121.223 0.174 0.000 1.978 1147 L HA -0.357 3.983 4.340 -0.000 0.000 0.218 1147 L C 2.763 179.565 176.870 -0.113 0.000 1.075 1147 L CA 2.393 57.271 54.840 0.064 0.000 0.767 1147 L CB -0.756 41.413 42.059 0.182 0.000 0.890 1147 L HN 0.263 nan 8.230 nan 0.000 0.434 1148 K N -0.047 120.322 120.400 -0.053 0.000 2.044 1148 K HA -0.305 4.015 4.320 -0.000 0.000 0.210 1148 K C 1.987 178.497 176.600 -0.150 0.000 1.049 1148 K CA 2.174 58.421 56.287 -0.068 0.000 0.927 1148 K CB -0.262 32.223 32.500 -0.026 0.000 0.713 1148 K HN 0.352 nan 8.250 nan 0.000 0.443 1149 E N -0.108 119.966 120.200 -0.210 0.000 2.204 1149 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 1149 E C 2.024 178.389 176.600 -0.392 0.000 0.990 1149 E CA 0.750 56.989 56.400 -0.269 0.000 0.821 1149 E CB 0.219 29.756 29.700 -0.272 0.000 0.750 1149 E HN 0.203 nan 8.360 nan 0.000 0.477 1150 R N -0.165 119.991 120.500 -0.574 0.000 2.066 1150 R HA -0.007 4.333 4.340 -0.000 0.000 0.224 1150 R C 1.861 177.910 176.300 -0.418 0.000 1.122 1150 R CA 0.480 56.167 56.100 -0.688 0.000 0.974 1150 R CB -0.294 29.293 30.300 -1.187 0.000 0.871 1150 R HN 0.175 nan 8.270 nan 0.000 0.435 1151 L N 0.011 121.089 121.223 -0.242 0.000 2.627 1151 L HA 0.143 4.483 4.340 -0.000 0.000 0.233 1151 L C 1.476 178.300 176.870 -0.077 0.000 1.144 1151 L CA 0.889 55.666 54.840 -0.103 0.000 0.892 1151 L CB -0.290 41.755 42.059 -0.024 0.000 1.039 1151 L HN 0.112 nan 8.230 nan 0.000 0.442 1152 M N -1.954 117.581 119.600 -0.109 0.000 2.144 1152 M HA 0.097 4.577 4.480 -0.000 0.000 0.178 1152 M C 1.503 177.754 176.300 -0.082 0.000 1.932 1152 M CA 0.286 55.545 55.300 -0.069 0.000 1.017 1152 M CB -0.015 32.554 32.600 -0.052 0.000 1.497 1152 M HN -0.014 nan 8.290 nan 0.000 0.614 1153 E N 1.440 121.576 120.200 -0.107 0.000 2.284 1153 E HA -0.052 4.298 4.350 -0.000 0.000 0.200 1153 E C 0.303 176.839 176.600 -0.108 0.000 1.008 1153 E CA 0.859 57.195 56.400 -0.107 0.000 0.829 1153 E CB -0.057 29.572 29.700 -0.118 0.000 0.744 1153 E HN 0.352 nan 8.360 nan 0.000 0.491 1154 A N 0.945 123.687 122.820 -0.131 0.000 2.311 1154 A HA 0.558 4.878 4.320 -0.000 0.000 0.306 1154 A C 0.115 177.640 177.584 -0.097 0.000 1.189 1154 A CA 0.056 52.020 52.037 -0.122 0.000 0.791 1154 A CB 0.757 19.653 19.000 -0.174 0.000 1.172 1154 A HN 0.219 nan 8.150 nan 0.000 0.481 1155 S N 2.256 117.920 115.700 -0.060 0.000 3.864 1155 S HA -0.172 4.298 4.470 -0.000 0.000 0.633 1155 S C -0.532 174.058 174.600 -0.018 0.000 2.048 1155 S CA 0.349 58.529 58.200 -0.033 0.000 2.651 1155 S CB -1.765 61.419 63.200 -0.028 0.000 0.315 1155 S HN 1.044 nan 8.310 nan 0.000 1.413 1156 D N 2.928 123.335 120.400 0.011 0.000 2.752 1156 D HA 0.443 5.083 4.640 -0.000 0.000 0.225 1156 D C 0.284 176.615 176.300 0.051 0.000 1.104 1156 D CA 1.959 55.992 54.000 0.054 0.000 0.832 1156 D CB 0.104 40.949 40.800 0.075 0.000 1.161 1156 D HN 1.468 nan 8.370 nan 0.000 0.505 1157 A N 2.525 125.399 122.820 0.090 0.000 2.500 1157 A HA 0.513 4.833 4.320 -0.000 0.000 0.291 1157 A C -1.574 176.139 177.584 0.214 0.000 1.048 1157 A CA -0.774 51.316 52.037 0.087 0.000 0.791 1157 A CB 1.120 20.123 19.000 0.005 0.000 1.309 1157 A HN 0.267 nan 8.150 nan 0.000 0.397 1158 F N 2.340 122.309 119.950 0.031 0.000 2.650 1158 F HA 0.650 5.177 4.527 -0.000 0.000 0.310 1158 F C -1.060 174.796 175.800 0.094 0.000 1.112 1158 F CA -0.900 57.136 58.000 0.060 0.000 0.986 1158 F CB 1.491 40.578 39.000 0.145 0.000 1.285 1158 F HN 0.649 nan 8.300 nan 0.000 0.440 1159 R N 4.933 125.367 120.500 -0.109 0.000 2.338 1159 R HA 0.747 5.087 4.340 -0.000 0.000 0.317 1159 R C -2.036 173.777 176.300 -0.811 0.000 0.968 1159 R CA -0.311 55.619 56.100 -0.282 0.000 0.849 1159 R CB 1.406 31.691 30.300 -0.026 0.000 1.128 1159 R HN 0.562 nan 8.270 nan 0.000 0.448 1160 V N 4.371 123.863 119.914 -0.703 0.000 2.769 1160 V HA 0.400 4.520 4.120 -0.000 0.000 0.312 1160 V C -0.391 175.388 176.094 -0.524 0.000 1.061 1160 V CA -0.895 61.022 62.300 -0.638 0.000 0.931 1160 V CB 2.174 33.716 31.823 -0.469 0.000 1.010 1160 V HN 0.728 nan 8.190 nan 0.000 0.433 1161 H N 3.899 122.874 119.070 -0.157 0.000 2.459 1161 H HA 0.643 5.199 4.556 -0.000 0.000 0.332 1161 H C -0.705 174.546 175.328 -0.128 0.000 1.094 1161 H CA -0.202 55.751 56.048 -0.157 0.000 1.224 1161 H CB 1.833 31.496 29.762 -0.166 0.000 1.449 1161 H HN 0.439 nan 8.280 nan 0.000 0.484 1162 I N 1.209 121.772 120.570 -0.011 0.000 2.740 1162 I HA 0.133 4.303 4.170 -0.000 0.000 0.303 1162 I C 0.293 176.389 176.117 -0.036 0.000 1.044 1162 I CA -0.944 60.330 61.300 -0.044 0.000 1.064 1162 I CB 2.362 40.308 38.000 -0.091 0.000 1.249 1162 I HN 0.464 nan 8.210 nan 0.000 0.433 1163 C N 3.920 123.184 119.300 -0.061 0.000 2.555 1163 C HA 0.328 4.788 4.460 -0.000 0.000 0.385 1163 C C 1.751 176.721 174.990 -0.033 0.000 1.296 1163 C CA -0.298 58.691 59.018 -0.048 0.000 1.757 1163 C CB -0.783 26.929 27.740 -0.048 0.000 2.445 1163 C HN 1.038 nan 8.230 nan 0.000 0.571 1164 G N 4.892 113.726 108.800 0.057 0.000 2.843 1164 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.205 1164 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.205 1164 G C 0.919 175.885 174.900 0.110 0.000 1.160 1164 G CA 0.665 45.867 45.100 0.172 0.000 0.819 1164 G HN 0.874 nan 8.290 nan 0.000 0.516 1165 I N -0.817 119.778 120.570 0.042 0.000 4.033 1165 I HA 0.112 4.282 4.170 -0.000 0.000 0.296 1165 I C 0.380 176.546 176.117 0.083 0.000 1.210 1165 I CA 0.137 61.497 61.300 0.100 0.000 1.341 1165 I CB 0.851 38.892 38.000 0.069 0.000 1.369 1165 I HN 0.210 nan 8.210 nan 0.000 0.453 1166 C N 1.440 120.719 119.300 -0.035 0.000 2.409 1166 C HA 0.647 5.107 4.460 -0.000 0.000 0.297 1166 C C 1.288 176.147 174.990 -0.219 0.000 1.083 1166 C CA -1.172 57.807 59.018 -0.065 0.000 1.515 1166 C CB -0.658 27.070 27.740 -0.020 0.000 1.869 1166 C HN 0.531 nan 8.230 nan 0.000 0.413 1167 G N 3.483 111.980 108.800 -0.505 0.000 2.801 1167 G HA2 0.145 4.105 3.960 -0.000 0.000 0.246 1167 G HA3 0.145 4.105 3.960 -0.000 0.000 0.246 1167 G C 0.056 174.767 174.900 -0.315 0.000 0.760 1167 G CA 0.347 45.119 45.100 -0.546 0.000 1.934 1167 G HN 0.849 nan 8.290 nan 0.000 0.568 1168 L N -0.424 120.680 121.223 -0.198 0.000 2.334 1168 L HA 0.390 4.730 4.340 -0.000 0.000 0.273 1168 L C 0.996 177.817 176.870 -0.082 0.000 1.013 1168 L CA -0.974 53.787 54.840 -0.131 0.000 0.816 1168 L CB 1.949 43.959 42.059 -0.082 0.000 1.278 1168 L HN 0.129 nan 8.230 nan 0.000 0.431 1169 M N 1.884 121.457 119.600 -0.044 0.000 3.700 1169 M HA 0.059 4.538 4.480 -0.000 0.000 0.190 1169 M C 0.039 176.355 176.300 0.026 0.000 1.422 1169 M CA 0.241 55.540 55.300 -0.002 0.000 1.646 1169 M CB -0.904 31.716 32.600 0.034 0.000 1.154 1169 M HN 0.526 nan 8.290 nan 0.000 0.506 1170 T N -0.476 114.084 114.554 0.010 0.000 3.243 1170 T HA 0.225 4.575 4.350 -0.000 0.000 0.264 1170 T C 0.305 175.025 174.700 0.034 0.000 1.000 1170 T CA -0.058 62.057 62.100 0.025 0.000 0.901 1170 T CB 0.097 68.971 68.868 0.010 0.000 1.083 1170 T HN 0.150 nan 8.240 nan 0.000 0.559 1171 V N 2.572 122.513 119.914 0.044 0.000 2.333 1171 V HA 0.362 4.482 4.120 -0.000 0.000 0.274 1171 V C 0.383 176.535 176.094 0.098 0.000 1.028 1171 V CA -1.001 61.330 62.300 0.050 0.000 0.851 1171 V CB 0.910 32.733 31.823 0.001 0.000 1.000 1171 V HN 0.506 nan 8.190 nan 0.000 0.456 1172 I N 4.790 125.422 120.570 0.104 0.000 2.671 1172 I HA 0.111 4.281 4.170 -0.000 0.000 0.285 1172 I C 1.026 177.243 176.117 0.165 0.000 1.148 1172 I CA 0.380 61.751 61.300 0.118 0.000 1.386 1172 I CB 0.656 38.708 38.000 0.086 0.000 1.406 1172 I HN 0.699 nan 8.210 nan 0.000 0.540 1173 A N 8.247 131.168 122.820 0.168 0.000 2.343 1173 A HA 0.316 4.636 4.320 -0.000 0.000 0.305 1173 A C 0.126 177.752 177.584 0.070 0.000 1.308 1173 A CA -0.480 51.660 52.037 0.171 0.000 0.949 1173 A CB -0.125 19.018 19.000 0.239 0.000 1.148 1173 A HN 0.701 nan 8.150 nan 0.000 0.545 1174 K N 3.893 124.253 120.400 -0.067 0.000 2.499 1174 K HA 0.316 4.636 4.320 -0.000 0.000 0.215 1174 K C -1.130 175.311 176.600 -0.265 0.000 1.041 1174 K CA -0.118 56.102 56.287 -0.112 0.000 1.031 1174 K CB 0.990 33.455 32.500 -0.059 0.000 1.479 1174 K HN 0.662 nan 8.250 nan 0.000 0.518 1175 L N 3.238 124.358 121.223 -0.172 0.000 2.404 1175 L HA 0.158 4.498 4.340 -0.000 0.000 0.277 1175 L C 0.585 177.308 176.870 -0.245 0.000 1.184 1175 L CA -0.028 54.706 54.840 -0.177 0.000 1.013 1175 L CB -0.494 41.550 42.059 -0.025 0.000 1.318 1175 L HN 0.691 nan 8.230 nan 0.000 0.435 1176 N N -0.784 117.701 118.700 -0.359 0.000 2.482 1176 N HA -0.101 4.639 4.740 -0.000 0.000 0.317 1176 N C 0.838 176.088 175.510 -0.433 0.000 1.084 1176 N CA 0.076 52.864 53.050 -0.437 0.000 1.911 1176 N CB 0.147 38.240 38.487 -0.656 0.000 2.221 1176 N HN 0.478 nan 8.380 nan 0.000 1.173 1177 H N 1.632 120.615 119.070 -0.146 0.000 2.542 1177 H HA 0.363 4.919 4.556 -0.000 0.000 0.283 1177 H C 0.124 175.320 175.328 -0.220 0.000 1.059 1177 H CA -0.188 55.773 56.048 -0.146 0.000 1.162 1177 H CB 0.049 29.736 29.762 -0.124 0.000 1.539 1177 H HN 0.183 nan 8.280 nan 0.000 0.543 1178 N N 1.464 120.004 118.700 -0.266 0.000 2.650 1178 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 1178 N C -0.244 174.897 175.510 -0.615 0.000 1.155 1178 N CA 0.770 53.558 53.050 -0.436 0.000 0.747 1178 N CB -0.798 37.567 38.487 -0.204 0.000 1.132 1178 N HN 0.624 nan 8.380 nan 0.000 0.564 1179 Q N -0.858 118.657 119.800 -0.475 0.000 2.286 1179 Q HA 0.351 4.691 4.340 -0.000 0.000 0.257 1179 Q C 0.537 176.227 176.000 -0.516 0.000 0.941 1179 Q CA 0.147 55.746 55.803 -0.340 0.000 0.912 1179 Q CB 0.606 29.276 28.738 -0.113 0.000 1.192 1179 Q HN 0.243 nan 8.270 nan 0.000 0.410 1180 F N 0.587 120.505 119.950 -0.052 0.000 2.129 1180 F HA 0.180 4.707 4.527 -0.000 0.000 0.234 1180 F C -0.054 175.716 175.800 -0.049 0.000 1.092 1180 F CA -0.503 57.448 58.000 -0.082 0.000 1.242 1180 F CB 0.649 39.575 39.000 -0.122 0.000 1.604 1180 F HN 0.520 nan 8.300 nan 0.000 0.527 1181 E N -1.088 119.224 120.200 0.187 0.000 8.699 1181 E HA -0.256 4.094 4.350 -0.000 0.000 0.471 1181 E C -0.745 175.896 176.600 0.068 0.000 1.169 1181 E CA 0.325 56.779 56.400 0.090 0.000 2.050 1181 E CB -0.862 28.874 29.700 0.060 0.000 1.006 1181 E HN 0.540 nan 8.360 nan 0.000 0.262 1182 C N 1.227 120.551 119.300 0.040 0.000 4.111 1182 C HA 0.201 4.661 4.460 -0.000 0.000 0.443 1182 C C -0.984 174.019 174.990 0.023 0.000 1.586 1182 C CA 0.958 59.992 59.018 0.026 0.000 2.085 1182 C CB -0.552 27.194 27.740 0.010 0.000 3.126 1182 C HN 0.852 nan 8.230 nan 0.000 0.684 1183 K N 0.609 121.023 120.400 0.023 0.000 6.706 1183 K HA 0.126 4.446 4.320 -0.000 0.000 0.669 1183 K C 0.798 177.407 176.600 0.016 0.000 2.465 1183 K CA 1.286 57.585 56.287 0.020 0.000 1.801 1183 K CB -1.772 30.741 32.500 0.021 0.000 1.883 1183 K HN 1.764 nan 8.250 nan 0.000 0.285 1184 G N 0.735 109.544 108.800 0.014 0.000 2.358 1184 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.224 1184 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.224 1184 G C 1.346 176.254 174.900 0.013 0.000 1.073 1184 G CA 0.188 45.296 45.100 0.013 0.000 0.635 1184 G HN 0.991 nan 8.290 nan 0.000 0.509 1185 C N 0.423 119.731 119.300 0.013 0.000 2.558 1185 C HA 0.397 4.857 4.460 -0.000 0.000 0.288 1185 C C 1.136 176.135 174.990 0.015 0.000 1.338 1185 C CA 1.125 60.151 59.018 0.014 0.000 1.760 1185 C CB -0.606 27.141 27.740 0.011 0.000 2.159 1185 C HN 0.662 nan 8.230 nan 0.000 0.518 1186 D N 1.608 122.017 120.400 0.014 0.000 2.739 1186 D HA -0.118 4.522 4.640 -0.000 0.000 0.240 1186 D C -0.706 175.602 176.300 0.014 0.000 1.114 1186 D CA 0.532 54.541 54.000 0.014 0.000 0.695 1186 D CB -1.478 39.330 40.800 0.013 0.000 1.078 1186 D HN 0.528 nan 8.370 nan 0.000 0.434 1187 N N 0.620 119.328 118.700 0.014 0.000 2.444 1187 N HA 0.209 4.949 4.740 -0.000 0.000 0.262 1187 N C 0.872 176.394 175.510 0.020 0.000 0.974 1187 N CA -0.095 52.960 53.050 0.009 0.000 0.933 1187 N CB 1.192 39.677 38.487 -0.003 0.000 1.137 1187 N HN 0.147 nan 8.380 nan 0.000 0.498 1188 K N 2.282 122.695 120.400 0.022 0.000 2.477 1188 K HA 0.373 4.693 4.320 -0.000 0.000 0.208 1188 K C 0.751 177.379 176.600 0.046 0.000 1.117 1188 K CA 0.137 56.453 56.287 0.049 0.000 1.039 1188 K CB 1.159 33.681 32.500 0.036 0.000 0.937 1188 K HN 0.432 nan 8.250 nan 0.000 0.570 1189 I N -0.763 119.809 120.570 0.002 0.000 4.399 1189 I HA 0.044 4.214 4.170 -0.000 0.000 0.301 1189 I C -0.063 175.993 176.117 -0.103 0.000 1.198 1189 I CA -0.067 61.218 61.300 -0.026 0.000 1.315 1189 I CB 0.704 38.693 38.000 -0.019 0.000 1.452 1189 I HN -0.092 nan 8.210 nan 0.000 0.457 1190 D N 2.862 123.205 120.400 -0.095 0.000 2.483 1190 D HA 0.459 5.099 4.640 -0.000 0.000 0.220 1190 D C -0.610 175.570 176.300 -0.201 0.000 1.173 1190 D CA 0.459 54.371 54.000 -0.148 0.000 0.964 1190 D CB 0.097 40.877 40.800 -0.034 0.000 1.046 1190 D HN 0.094 nan 8.370 nan 0.000 0.517 1191 I N 2.609 122.936 120.570 -0.404 0.000 2.722 1191 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 1191 I C -1.046 174.701 176.117 -0.616 0.000 1.161 1191 I CA -0.965 60.099 61.300 -0.393 0.000 1.032 1191 I CB 1.751 39.500 38.000 -0.418 0.000 1.244 1191 I HN 0.144 nan 8.210 nan 0.000 0.421 1192 Y N 2.639 122.829 120.300 -0.184 0.000 2.602 1192 Y HA 0.505 5.055 4.550 -0.000 0.000 0.342 1192 Y C -0.306 175.511 175.900 -0.140 0.000 1.029 1192 Y CA -0.679 57.327 58.100 -0.157 0.000 1.080 1192 Y CB 1.868 40.246 38.460 -0.136 0.000 1.284 1192 Y HN 0.389 nan 8.280 nan 0.000 0.485 1193 Q N 3.639 123.459 119.800 0.033 0.000 2.330 1193 Q HA 0.687 5.027 4.340 -0.000 0.000 0.269 1193 Q C -1.478 174.380 176.000 -0.237 0.000 1.022 1193 Q CA -0.661 55.066 55.803 -0.125 0.000 0.796 1193 Q CB 1.784 30.472 28.738 -0.084 0.000 1.271 1193 Q HN 0.794 nan 8.270 nan 0.000 0.450 1194 I N -0.613 119.768 120.570 -0.315 0.000 3.206 1194 I HA 0.585 4.755 4.170 -0.000 0.000 0.313 1194 I C -1.199 174.697 176.117 -0.370 0.000 1.103 1194 I CA -1.123 59.969 61.300 -0.346 0.000 0.985 1194 I CB 2.416 40.307 38.000 -0.182 0.000 1.240 1194 I HN 0.552 nan 8.210 nan 0.000 0.464 1195 H N 3.677 122.700 119.070 -0.078 0.000 2.708 1195 H HA 0.711 5.267 4.556 -0.000 0.000 0.320 1195 H C -0.750 174.559 175.328 -0.033 0.000 0.991 1195 H CA -0.540 55.471 56.048 -0.062 0.000 1.243 1195 H CB 1.497 31.238 29.762 -0.035 0.000 1.446 1195 H HN 0.739 nan 8.280 nan 0.000 0.502 1196 I N 0.087 120.719 120.570 0.104 0.000 3.006 1196 I HA 0.566 4.736 4.170 -0.000 0.000 0.306 1196 I C -2.922 173.260 176.117 0.110 0.000 1.250 1196 I CA -2.741 58.603 61.300 0.073 0.000 0.996 1196 I CB 3.326 41.353 38.000 0.044 0.000 1.261 1196 I HN 0.113 nan 8.210 nan 0.000 0.442 1197 P HA -0.046 nan 4.420 nan 0.000 0.267 1197 P C -0.006 177.378 177.300 0.140 0.000 1.209 1197 P CA 0.288 63.441 63.100 0.088 0.000 0.763 1197 P CB 0.486 32.193 31.700 0.013 0.000 0.816 1198 Y N 5.567 125.941 120.300 0.123 0.000 2.102 1198 Y HA -0.335 4.215 4.550 -0.000 0.000 0.280 1198 Y C 2.459 178.383 175.900 0.040 0.000 1.178 1198 Y CA 2.614 60.802 58.100 0.146 0.000 1.146 1198 Y CB -1.184 37.254 38.460 -0.037 0.000 0.968 1198 Y HN 0.490 nan 8.280 nan 0.000 0.504 1199 A N 0.244 123.020 122.820 -0.073 0.000 1.986 1199 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 1199 A C 2.456 179.877 177.584 -0.272 0.000 1.171 1199 A CA 2.298 54.223 52.037 -0.187 0.000 0.640 1199 A CB -1.525 17.433 19.000 -0.069 0.000 0.811 1199 A HN 0.669 nan 8.150 nan 0.000 0.451 1200 A N -0.112 122.551 122.820 -0.263 0.000 1.841 1200 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 1200 A C 2.149 179.405 177.584 -0.546 0.000 1.195 1200 A CA 1.917 53.667 52.037 -0.479 0.000 0.611 1200 A CB -0.550 18.184 19.000 -0.443 0.000 0.835 1200 A HN 0.416 nan 8.150 nan 0.000 0.443 1201 K N 0.055 120.297 120.400 -0.264 0.000 2.144 1201 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 1201 K C 1.872 178.392 176.600 -0.134 0.000 1.047 1201 K CA 1.900 58.152 56.287 -0.057 0.000 0.927 1201 K CB -0.532 32.080 32.500 0.188 0.000 0.716 1201 K HN 0.518 nan 8.250 nan 0.000 0.454 1202 L N 0.566 121.575 121.223 -0.356 0.000 2.072 1202 L HA -0.188 4.151 4.340 -0.000 0.000 0.205 1202 L C 2.638 179.418 176.870 -0.150 0.000 1.079 1202 L CA 0.645 55.303 54.840 -0.303 0.000 0.752 1202 L CB -0.356 41.443 42.059 -0.434 0.000 0.906 1202 L HN 0.208 nan 8.230 nan 0.000 0.436 1203 L N -0.347 120.755 121.223 -0.202 0.000 1.970 1203 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 1203 L C 2.276 179.178 176.870 0.054 0.000 1.071 1203 L CA 1.926 56.694 54.840 -0.119 0.000 0.751 1203 L CB -0.826 41.093 42.059 -0.233 0.000 0.889 1203 L HN 0.068 nan 8.230 nan 0.000 0.432 1204 F N -0.175 119.748 119.950 -0.045 0.000 2.015 1204 F HA -0.377 4.150 4.527 -0.000 0.000 0.297 1204 F C 2.695 178.479 175.800 -0.027 0.000 1.141 1204 F CA 1.559 59.539 58.000 -0.033 0.000 1.192 1204 F CB -0.670 38.309 39.000 -0.036 0.000 0.957 1204 F HN 0.226 nan 8.300 nan 0.000 0.491 1205 Q N 0.251 120.164 119.800 0.188 0.000 2.096 1205 Q HA -0.284 4.056 4.340 -0.000 0.000 0.208 1205 Q C 1.942 177.983 176.000 0.067 0.000 0.993 1205 Q CA 2.061 57.923 55.803 0.097 0.000 0.862 1205 Q CB -0.502 28.279 28.738 0.071 0.000 0.915 1205 Q HN 0.561 nan 8.270 nan 0.000 0.416 1206 E N 0.593 120.823 120.200 0.049 0.000 2.085 1206 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 1206 E C 2.089 178.717 176.600 0.046 0.000 0.994 1206 E CA 0.828 57.248 56.400 0.033 0.000 0.801 1206 E CB -0.068 29.638 29.700 0.010 0.000 0.743 1206 E HN 0.296 nan 8.360 nan 0.000 0.453 1207 L N 0.056 121.323 121.223 0.073 0.000 1.970 1207 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 1207 L C 2.594 179.492 176.870 0.046 0.000 1.071 1207 L CA 1.361 56.242 54.840 0.068 0.000 0.751 1207 L CB -0.402 41.719 42.059 0.104 0.000 0.889 1207 L HN 0.282 nan 8.230 nan 0.000 0.432 1208 M N -0.526 119.102 119.600 0.046 0.000 2.108 1208 M HA -0.253 4.227 4.480 -0.000 0.000 0.257 1208 M C 2.304 178.620 176.300 0.027 0.000 1.071 1208 M CA 2.086 57.403 55.300 0.028 0.000 1.093 1208 M CB -0.614 32.002 32.600 0.027 0.000 1.345 1208 M HN 0.329 nan 8.290 nan 0.000 0.403 1209 A N -0.555 122.284 122.820 0.032 0.000 2.186 1209 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 1209 A C 1.871 179.469 177.584 0.024 0.000 1.159 1209 A CA 1.241 53.295 52.037 0.028 0.000 0.680 1209 A CB -0.628 18.390 19.000 0.029 0.000 0.787 1209 A HN 0.550 nan 8.150 nan 0.000 0.467 1210 M N -1.251 118.363 119.600 0.024 0.000 2.484 1210 M HA 0.135 4.615 4.480 -0.000 0.000 0.307 1210 M C 0.813 177.124 176.300 0.018 0.000 1.149 1210 M CA 0.003 55.315 55.300 0.021 0.000 0.972 1210 M CB 0.112 32.726 32.600 0.023 0.000 1.400 1210 M HN 0.623 nan 8.290 nan 0.000 0.508 1211 N N 1.031 119.741 118.700 0.018 0.000 2.967 1211 N HA -0.176 4.564 4.740 -0.000 0.000 0.218 1211 N C -0.222 175.295 175.510 0.011 0.000 0.870 1211 N CA 0.710 53.768 53.050 0.014 0.000 1.030 1211 N CB -0.833 37.661 38.487 0.013 0.000 1.027 1211 N HN 0.390 nan 8.380 nan 0.000 0.603 1212 I N 2.002 122.580 120.570 0.013 0.000 2.696 1212 I HA 0.041 4.211 4.170 -0.000 0.000 0.284 1212 I C 1.003 177.119 176.117 -0.002 0.000 1.129 1212 I CA 0.527 61.832 61.300 0.009 0.000 1.410 1212 I CB 0.979 38.989 38.000 0.017 0.000 1.399 1212 I HN 0.183 nan 8.210 nan 0.000 0.579 1213 T N 2.942 117.488 114.554 -0.014 0.000 2.801 1213 T HA 0.413 4.763 4.350 -0.000 0.000 0.306 1213 T C -2.114 172.540 174.700 -0.077 0.000 1.020 1213 T CA -1.711 60.366 62.100 -0.038 0.000 0.948 1213 T CB 1.036 69.889 68.868 -0.025 0.000 0.962 1213 T HN 0.424 nan 8.240 nan 0.000 0.465 1214 P HA 0.266 nan 4.420 nan 0.000 0.226 1214 P C -0.397 176.687 177.300 -0.360 0.000 1.832 1214 P CA -0.676 62.239 63.100 -0.309 0.000 1.092 1214 P CB 0.259 31.659 31.700 -0.501 0.000 1.873 1215 R N 2.996 123.377 120.500 -0.198 0.000 2.343 1215 R HA 0.293 4.633 4.340 -0.000 0.000 0.326 1215 R C 0.268 176.428 176.300 -0.232 0.000 1.055 1215 R CA -0.292 55.702 56.100 -0.176 0.000 0.961 1215 R CB 0.309 30.672 30.300 0.105 0.000 0.978 1215 R HN 0.475 nan 8.270 nan 0.000 0.443 1216 L N 4.612 125.578 121.223 -0.427 0.000 2.282 1216 L HA 0.436 4.776 4.340 -0.000 0.000 0.288 1216 L C -0.513 176.039 176.870 -0.530 0.000 1.033 1216 L CA -0.755 53.877 54.840 -0.346 0.000 0.807 1216 L CB 0.481 42.360 42.059 -0.301 0.000 1.209 1216 L HN 0.400 nan 8.230 nan 0.000 0.423 1217 Y N -0.273 119.935 120.300 -0.152 0.000 2.446 1217 Y HA 0.233 4.783 4.550 -0.000 0.000 0.345 1217 Y C 1.119 176.892 175.900 -0.212 0.000 0.984 1217 Y CA -0.873 57.124 58.100 -0.172 0.000 1.058 1217 Y CB 2.176 40.551 38.460 -0.142 0.000 1.220 1217 Y HN 0.583 nan 8.280 nan 0.000 0.455 1218 T N -2.695 111.742 114.554 -0.195 0.000 3.235 1218 T HA 0.189 4.539 4.350 -0.000 0.000 0.251 1218 T C -0.785 173.811 174.700 -0.174 0.000 1.060 1218 T CA -0.259 61.675 62.100 -0.278 0.000 0.949 1218 T CB -1.017 67.484 68.868 -0.611 0.000 1.020 1218 T HN 0.576 nan 8.240 nan 0.000 0.564 1219 D N -0.363 119.988 120.400 -0.083 0.000 2.602 1219 D HA 0.315 4.955 4.640 -0.000 0.000 0.245 1219 D C 0.918 177.185 176.300 -0.055 0.000 1.325 1219 D CA -1.012 52.950 54.000 -0.063 0.000 0.952 1219 D CB 1.193 41.962 40.800 -0.051 0.000 1.317 1219 D HN -0.160 nan 8.370 nan 0.000 0.577 1220 R N 0.885 121.356 120.500 -0.049 0.000 2.200 1220 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 1220 R C 0.539 176.803 176.300 -0.060 0.000 1.127 1220 R CA 0.848 56.918 56.100 -0.050 0.000 0.989 1220 R CB -0.435 29.845 30.300 -0.034 0.000 0.869 1220 R HN 0.577 nan 8.270 nan 0.000 0.459 1221 S N 2.070 117.739 115.700 -0.050 0.000 3.829 1221 S HA 0.088 4.558 4.470 -0.000 0.000 0.250 1221 S C 0.420 174.976 174.600 -0.074 0.000 1.263 1221 S CA -0.511 57.663 58.200 -0.043 0.000 0.955 1221 S CB -0.008 63.179 63.200 -0.022 0.000 1.611 1221 S HN 0.180 nan 8.310 nan 0.000 0.483 1222 R N 1.465 121.892 120.500 -0.122 0.000 2.740 1222 R HA -0.051 4.289 4.340 -0.000 0.000 0.263 1222 R C 0.360 176.575 176.300 -0.141 0.000 0.997 1222 R CA 0.300 56.271 56.100 -0.215 0.000 1.108 1222 R CB 0.178 30.268 30.300 -0.351 0.000 0.969 1222 R HN 0.521 nan 8.270 nan 0.000 0.431 1223 D N 2.875 123.178 120.400 -0.161 0.000 2.354 1223 D HA -0.170 4.470 4.640 -0.000 0.000 0.216 1223 D C 0.540 176.918 176.300 0.131 0.000 0.970 1223 D CA 0.933 54.914 54.000 -0.031 0.000 0.905 1223 D CB -0.076 40.697 40.800 -0.044 0.000 0.903 1223 D HN 0.366 nan 8.370 nan 0.000 0.508 1224 F N 0.000 119.920 119.950 -0.049 0.000 2.286 1224 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1224 F CA 0.000 57.978 58.000 -0.037 0.000 1.383 1224 F CB 0.000 38.978 39.000 -0.036 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574