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 1i6h_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGXX DATA SEQUENCE XXXXXXXAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.280 176.300 -0.034 0.000 2.045 20 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 20 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 21 E N -0.266 119.902 120.200 -0.054 0.000 2.511 21 E HA 0.006 4.360 4.350 0.005 0.000 0.196 21 E C 0.496 177.038 176.600 -0.097 0.000 1.066 21 E CA 0.471 56.819 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 0.710 116.374 115.700 -0.060 0.000 2.470 22 S HA 0.223 4.697 4.470 0.005 0.000 0.222 22 S C 1.100 175.688 174.600 -0.021 0.000 1.024 22 S CA 0.136 58.309 58.200 -0.045 0.000 0.931 22 S CB 0.211 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 3.623 126.435 122.820 -0.014 0.000 2.609 23 A HA 0.203 4.526 4.320 0.005 0.000 0.235 23 A C -1.677 175.913 177.584 0.011 0.000 1.092 23 A CA -0.407 51.632 52.037 0.003 0.000 0.780 23 A CB -0.475 18.528 19.000 0.004 0.000 1.031 23 A HN 0.219 nan 8.150 nan 0.000 0.515 24 P HA 0.474 nan 4.420 nan 0.000 0.297 24 P C -0.439 176.860 177.300 -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 0.473 4.646 4.170 0.005 0.000 0.311 25 I C 0.752 176.848 176.117 -0.036 0.000 1.072 25 I CA -0.720 60.555 61.300 -0.041 0.000 1.015 25 I CB 1.787 39.719 38.000 -0.113 0.000 1.233 25 I HN 0.358 nan 8.210 nan 0.000 0.473 26 T N -1.323 113.226 114.554 -0.008 0.000 2.926 26 T HA 0.646 4.999 4.350 0.005 0.000 0.289 26 T C 0.673 175.394 174.700 0.034 0.000 1.054 26 T CA -0.225 61.883 62.100 0.014 0.000 1.015 26 T CB 1.719 70.614 68.868 0.046 0.000 1.167 26 T HN 0.644 nan 8.240 nan 0.000 0.526 27 A N 0.933 123.788 122.820 0.060 0.000 1.848 27 A HA -0.167 4.156 4.320 0.005 0.000 0.217 27 A C 2.142 179.856 177.584 0.216 0.000 1.220 27 A CA 2.528 54.632 52.037 0.112 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 0.249 120.608 120.200 0.265 0.000 2.236 28 E HA -0.262 4.091 4.350 0.005 0.000 0.205 28 E C 1.306 178.110 176.600 0.340 0.000 1.028 28 E CA 2.005 58.615 56.400 0.350 0.000 0.827 28 E CB -0.479 29.360 29.700 0.233 0.000 0.735 28 E HN 0.577 nan 8.360 nan 0.000 0.470 29 D N -1.093 119.438 120.400 0.219 0.000 2.348 29 D HA -0.052 4.591 4.640 0.005 0.000 0.216 29 D C 1.723 178.152 176.300 0.215 0.000 0.970 29 D CA 1.067 55.184 54.000 0.194 0.000 0.889 29 D CB -0.095 40.772 40.800 0.112 0.000 0.912 29 D HN 0.373 nan 8.370 nan 0.000 0.524 30 S N -0.835 114.985 115.700 0.199 0.000 2.406 30 S HA -0.158 4.315 4.470 0.005 0.000 0.228 30 S C 1.933 176.607 174.600 0.123 0.000 1.020 30 S CA 0.193 58.515 58.200 0.202 0.000 0.965 30 S CB -0.918 62.385 63.200 0.171 0.000 0.798 30 S HN 0.338 nan 8.310 nan 0.000 0.488 31 W N 2.388 123.845 121.300 0.262 0.000 2.341 31 W HA 0.005 4.668 4.660 0.005 0.000 0.283 31 W C 2.857 179.528 176.519 0.253 0.000 1.215 31 W CA 0.833 58.314 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 -0.268 122.802 122.820 0.416 0.000 1.873 32 A HA -0.158 4.165 4.320 0.005 0.000 0.215 32 A C 1.998 179.783 177.584 0.335 0.000 1.186 32 A CA 1.941 54.195 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 0.435 120.549 119.914 0.332 0.000 2.469 33 V HA -0.292 3.831 4.120 0.005 0.000 0.251 33 V C 2.370 178.624 176.094 0.266 0.000 1.064 33 V CA 2.034 64.552 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 -0.514 120.134 120.570 0.130 0.000 2.193 34 I HA -0.175 3.998 4.170 0.005 0.000 0.240 34 I C 2.585 178.732 176.117 0.050 0.000 1.084 34 I CA 1.431 62.699 61.300 -0.053 0.000 1.365 34 I CB -0.497 37.428 38.000 -0.124 0.000 1.064 34 I HN 0.248 nan 8.210 nan 0.000 0.410 35 S N 1.149 116.990 115.700 0.235 0.000 2.359 35 S HA -0.257 4.216 4.470 0.005 0.000 0.223 35 S C 2.337 177.112 174.600 0.292 0.000 1.039 35 S CA 1.516 59.954 58.200 0.397 0.000 1.042 35 S CB -0.623 62.892 63.200 0.524 0.000 0.915 35 S HN 0.546 nan 8.310 nan 0.000 0.439 36 A N 1.145 124.137 122.820 0.286 0.000 1.954 36 A HA -0.247 4.076 4.320 0.005 0.000 0.222 36 A C 1.900 179.598 177.584 0.190 0.000 1.199 36 A CA 2.181 54.388 52.037 0.283 0.000 0.657 36 A CB -1.102 18.121 19.000 0.371 0.000 0.823 36 A HN 0.505 nan 8.150 nan 0.000 0.463 37 F N -0.667 119.150 119.950 -0.221 0.000 2.051 37 F HA -0.142 4.388 4.527 0.005 0.000 0.296 37 F C 2.031 177.417 175.800 -0.690 0.000 1.122 37 F CA 2.140 59.568 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 0.436 120.318 119.950 -0.114 0.000 2.171 38 F HA -0.105 4.426 4.527 0.005 0.000 0.300 38 F C 2.476 178.233 175.800 -0.072 0.000 1.090 38 F CA 1.308 59.246 58.000 -0.103 0.000 1.293 38 F CB -0.697 38.328 39.000 0.042 0.000 1.013 38 F HN -0.183 nan 8.300 nan 0.000 0.486 39 R N 0.125 120.726 120.500 0.168 0.000 2.211 39 R HA -0.217 4.126 4.340 0.005 0.000 0.240 39 R C 1.933 178.250 176.300 0.028 0.000 1.144 39 R CA 1.670 57.846 56.100 0.126 0.000 0.992 39 R CB -0.336 30.053 30.300 0.150 0.000 0.869 39 R HN 0.466 nan 8.270 nan 0.000 0.462 40 E N 0.040 120.189 120.200 -0.084 0.000 2.372 40 E HA -0.014 4.339 4.350 0.005 0.000 0.201 40 E C 1.219 177.685 176.600 -0.223 0.000 0.938 40 E CA 0.102 56.431 56.400 -0.119 0.000 0.944 40 E CB 0.502 30.162 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 4.571 4.320 0.005 0.000 0.199 41 K C 0.807 177.291 176.600 -0.193 0.000 1.061 41 K CA 0.595 56.618 56.287 -0.441 0.000 0.976 41 K CB 1.012 32.944 32.500 -0.947 0.000 0.898 41 K HN 0.184 nan 8.250 nan 0.000 0.492 42 G N 1.815 110.588 108.800 -0.044 0.000 2.829 42 G HA2 -0.246 3.717 3.960 0.005 0.000 0.628 42 G HA3 -0.246 3.717 3.960 0.005 0.000 0.628 42 G C 0.113 175.142 174.900 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 -0.128 121.228 121.223 0.223 0.000 2.672 43 L HA 0.323 4.666 4.340 0.005 0.000 0.236 43 L C 1.690 178.613 176.870 0.089 0.000 1.186 43 L CA 0.637 55.602 54.840 0.208 0.000 0.977 43 L CB -0.458 41.684 42.059 0.138 0.000 1.203 43 L HN 1.027 nan 8.230 nan 0.000 0.448 44 V N -5.996 113.944 119.914 0.043 0.000 3.537 44 V HA 0.107 4.230 4.120 0.005 0.000 0.315 44 V C 1.785 177.859 176.094 -0.033 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 2.202 117.870 115.700 -0.052 0.000 2.400 45 S HA -0.437 4.036 4.470 0.005 0.000 0.234 45 S C 1.921 176.481 174.600 -0.066 0.000 1.049 45 S CA 2.406 60.558 58.200 -0.079 0.000 1.039 45 S CB -0.864 62.248 63.200 -0.147 0.000 0.856 45 S HN 0.963 nan 8.310 nan 0.000 0.465 46 Q N 0.991 120.746 119.800 -0.075 0.000 2.096 46 Q HA -0.260 4.083 4.340 0.005 0.000 0.208 46 Q C 2.236 178.210 176.000 -0.044 0.000 0.993 46 Q CA 1.705 57.465 55.803 -0.072 0.000 0.862 46 Q CB -0.528 28.163 28.738 -0.078 0.000 0.915 46 Q HN 0.498 nan 8.270 nan 0.000 0.416 47 Q N 0.913 120.685 119.800 -0.047 0.000 1.916 47 Q HA -0.055 4.288 4.340 0.005 0.000 0.203 47 Q C 2.496 178.490 176.000 -0.009 0.000 0.983 47 Q CA 1.587 57.359 55.803 -0.050 0.000 0.846 47 Q CB -0.547 28.134 28.738 -0.095 0.000 0.909 47 Q HN 0.466 nan 8.270 nan 0.000 0.427 48 L N 1.072 122.286 121.223 -0.016 0.000 1.976 48 L HA -0.291 4.052 4.340 0.005 0.000 0.223 48 L C 2.142 179.060 176.870 0.081 0.000 1.081 48 L CA 1.796 56.661 54.840 0.041 0.000 0.784 48 L CB -1.117 40.947 42.059 0.008 0.000 0.896 48 L HN 0.184 nan 8.230 nan 0.000 0.438 49 D N -0.328 120.089 120.400 0.027 0.000 2.170 49 D HA -0.227 4.416 4.640 0.005 0.000 0.193 49 D C 2.349 178.676 176.300 0.045 0.000 1.004 49 D CA 1.779 55.790 54.000 0.018 0.000 0.860 49 D CB -0.246 40.547 40.800 -0.012 0.000 0.931 49 D HN 0.251 nan 8.370 nan 0.000 0.448 50 S N -1.140 114.598 115.700 0.064 0.000 2.343 50 S HA -0.174 4.299 4.470 0.005 0.000 0.219 50 S C 1.824 176.538 174.600 0.191 0.000 1.033 50 S CA 0.734 58.991 58.200 0.095 0.000 1.014 50 S CB -0.583 62.665 63.200 0.081 0.000 0.915 50 S HN 0.207 nan 8.310 nan 0.000 0.435 51 F N 3.675 123.657 119.950 0.053 0.000 2.027 51 F HA -0.174 4.356 4.527 0.005 0.000 0.297 51 F C 2.235 178.122 175.800 0.146 0.000 1.129 51 F CA 2.186 60.258 58.000 0.120 0.000 1.195 51 F CB -1.177 37.878 39.000 0.092 0.000 0.960 51 F HN 0.294 nan 8.300 nan 0.000 0.485 52 N N 0.259 119.005 118.700 0.077 0.000 2.096 52 N HA -0.291 4.452 4.740 0.005 0.000 0.195 52 N C 1.833 177.307 175.510 -0.060 0.000 1.017 52 N CA 1.758 54.770 53.050 -0.064 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 0.573 120.365 119.800 -0.012 0.000 2.124 53 Q HA -0.088 4.255 4.340 0.005 0.000 0.202 53 Q C 1.777 177.789 176.000 0.020 0.000 0.977 53 Q CA 1.097 56.873 55.803 -0.046 0.000 0.850 53 Q CB -0.585 28.126 28.738 -0.045 0.000 0.901 53 Q HN 0.359 nan 8.270 nan 0.000 0.429 54 F N -0.336 119.542 119.950 -0.121 0.000 1.990 54 F HA -0.189 4.341 4.527 0.005 0.000 0.294 54 F C 2.025 177.674 175.800 -0.251 0.000 1.177 54 F CA 1.672 59.581 58.000 -0.152 0.000 1.167 54 F CB -1.020 37.915 39.000 -0.109 0.000 0.971 54 F HN -0.051 nan 8.300 nan 0.000 0.483 55 V N 1.341 121.013 119.914 -0.404 0.000 2.232 55 V HA -0.471 3.652 4.120 0.005 0.000 0.254 55 V C 2.299 178.163 176.094 -0.384 0.000 1.058 55 V CA 2.484 64.466 62.300 -0.531 0.000 1.048 55 V CB -0.944 30.566 31.823 -0.521 0.000 0.668 55 V HN 0.430 nan 8.190 nan 0.000 0.462 56 D N -1.667 118.624 120.400 -0.180 0.000 2.127 56 D HA -0.190 4.454 4.640 0.005 0.000 0.190 56 D C 1.831 178.086 176.300 -0.073 0.000 1.000 56 D CA 2.366 56.341 54.000 -0.041 0.000 0.839 56 D CB -0.256 40.703 40.800 0.265 0.000 0.955 56 D HN 0.651 nan 8.370 nan 0.000 0.446 57 Y N -0.309 119.845 120.300 -0.243 0.000 2.624 57 Y HA 0.133 4.686 4.550 0.005 0.000 0.260 57 Y C 2.634 178.368 175.900 -0.276 0.000 1.090 57 Y CA 0.460 58.431 58.100 -0.216 0.000 1.347 57 Y CB -0.976 37.403 38.460 -0.135 0.000 1.349 57 Y HN -0.176 nan 8.280 nan 0.000 0.502 58 T N 2.020 116.540 114.554 -0.057 0.000 2.684 58 T HA -0.267 4.086 4.350 0.005 0.000 0.267 58 T C 1.911 176.337 174.700 -0.457 0.000 1.032 58 T CA 2.096 64.094 62.100 -0.169 0.000 1.155 58 T CB -0.701 68.152 68.868 -0.026 0.000 0.857 58 T HN 0.121 nan 8.240 nan 0.000 0.457 59 L N 0.874 121.621 121.223 -0.794 0.000 2.056 59 L HA -0.001 4.342 4.340 0.005 0.000 0.207 59 L C 2.542 179.018 176.870 -0.657 0.000 1.078 59 L CA 1.803 56.013 54.840 -1.050 0.000 0.749 59 L CB -0.922 40.429 42.059 -1.180 0.000 0.901 59 L HN 0.132 nan 8.230 nan 0.000 0.433 60 Q N -0.137 119.388 119.800 -0.459 0.000 2.084 60 Q HA -0.214 4.129 4.340 0.005 0.000 0.202 60 Q C 1.688 177.543 176.000 -0.242 0.000 0.978 60 Q CA 2.259 57.861 55.803 -0.336 0.000 0.844 60 Q CB -0.323 28.234 28.738 -0.303 0.000 0.898 60 Q HN 0.585 nan 8.270 nan 0.000 0.426 61 D N -0.411 119.870 120.400 -0.199 0.000 2.219 61 D HA -0.088 4.555 4.640 0.005 0.000 0.205 61 D C 1.542 177.793 176.300 -0.082 0.000 0.970 61 D CA 1.010 54.945 54.000 -0.109 0.000 0.851 61 D CB -0.040 40.720 40.800 -0.067 0.000 0.943 61 D HN 0.378 nan 8.370 nan 0.000 0.488 62 I N -0.090 120.394 120.570 -0.143 0.000 2.500 62 I HA -0.148 4.025 4.170 0.005 0.000 0.252 62 I C 1.715 177.829 176.117 -0.005 0.000 1.142 62 I CA 0.333 61.613 61.300 -0.035 0.000 1.451 62 I CB 0.050 38.030 38.000 -0.033 0.000 1.093 62 I HN -0.040 nan 8.210 nan 0.000 0.430 63 I N 0.505 120.954 120.570 -0.203 0.000 2.394 63 I HA -0.177 3.996 4.170 0.005 0.000 0.251 63 I C 0.912 177.099 176.117 0.117 0.000 1.136 63 I CA 0.762 61.918 61.300 -0.239 0.000 1.425 63 I CB -0.309 37.493 38.000 -0.331 0.000 1.079 63 I HN 0.216 nan 8.210 nan 0.000 0.425 64 C N 2.121 121.453 119.300 0.052 0.000 2.239 64 C HA 0.522 4.985 4.460 0.005 0.000 0.325 64 C C 0.910 175.947 174.990 0.080 0.000 1.231 64 C CA -0.396 58.672 59.018 0.083 0.000 1.652 64 C CB -1.157 26.602 27.740 0.031 0.000 2.284 64 C HN 0.634 nan 8.230 nan 0.000 0.499 65 E N 1.843 122.101 120.200 0.097 0.000 3.661 65 E HA -0.003 4.350 4.350 0.005 0.000 0.209 65 E C -0.668 175.960 176.600 0.048 0.000 1.288 65 E CA -0.304 56.132 56.400 0.061 0.000 1.349 65 E CB -0.446 29.295 29.700 0.068 0.000 2.591 65 E HN 0.471 nan 8.360 nan 0.000 0.980 66 D N 2.176 122.594 120.400 0.029 0.000 2.587 66 D HA 0.084 4.727 4.640 0.005 0.000 0.233 66 D C 1.063 177.365 176.300 0.002 0.000 1.213 66 D CA 0.570 54.570 54.000 0.000 0.000 0.827 66 D CB 0.754 41.534 40.800 -0.034 0.000 1.006 66 D HN 0.267 nan 8.370 nan 0.000 0.490 67 S N 0.010 115.754 115.700 0.074 0.000 2.355 67 S HA -0.113 4.360 4.470 0.005 0.000 0.222 67 S C 1.192 175.955 174.600 0.272 0.000 1.031 67 S CA 0.562 58.867 58.200 0.174 0.000 0.993 67 S CB -1.018 62.385 63.200 0.339 0.000 0.859 67 S HN 0.221 nan 8.310 nan 0.000 0.453 68 T N 3.062 117.725 114.554 0.183 0.000 2.932 68 T HA 0.445 4.798 4.350 0.005 0.000 0.312 68 T C -0.167 174.580 174.700 0.078 0.000 1.071 68 T CA 0.186 62.358 62.100 0.120 0.000 1.128 68 T CB 0.230 69.145 68.868 0.078 0.000 0.984 68 T HN 0.263 nan 8.240 nan 0.000 0.549 69 L N 2.068 123.339 121.223 0.080 0.000 2.301 69 L HA 0.655 4.998 4.340 0.005 0.000 0.264 69 L C 0.009 176.959 176.870 0.132 0.000 1.016 69 L CA -1.140 53.760 54.840 0.100 0.000 0.821 69 L CB 1.584 43.766 42.059 0.205 0.000 1.346 69 L HN 0.505 nan 8.230 nan 0.000 0.429 91 S N 4.486 120.053 115.700 -0.222 0.000 2.521 91 S HA 0.809 5.282 4.470 0.005 0.000 0.295 91 S C -0.857 173.640 174.600 -0.173 0.000 1.098 91 S CA -0.652 57.483 58.200 -0.107 0.000 0.999 91 S CB 1.643 64.848 63.200 0.008 0.000 1.034 91 S HN 0.253 nan 8.310 nan 0.000 0.483 92 F N 1.799 121.806 119.950 0.095 0.000 2.385 92 F HA 0.722 5.252 4.527 0.005 0.000 0.336 92 F C 1.265 177.107 175.800 0.070 0.000 1.100 92 F CA -0.088 57.976 58.000 0.106 0.000 1.116 92 F CB 1.149 40.252 39.000 0.172 0.000 1.166 92 F HN 0.939 nan 8.300 nan 0.000 0.511 93 G N 1.260 110.198 108.800 0.229 0.000 3.134 93 G HA2 0.260 4.223 3.960 0.005 0.000 0.158 93 G HA3 0.260 4.223 3.960 0.005 0.000 0.158 93 G C -0.736 174.203 174.900 0.065 0.000 1.334 93 G CA -0.807 44.367 45.100 0.123 0.000 1.001 93 G HN 0.514 nan 8.290 nan 0.000 0.600 94 K N -0.242 120.160 120.400 0.002 0.000 2.440 94 K HA 0.250 4.573 4.320 0.005 0.000 0.270 94 K C -0.802 175.664 176.600 -0.223 0.000 0.980 94 K CA 0.040 56.214 56.287 -0.188 0.000 0.953 94 K CB 0.433 32.742 32.500 -0.318 0.000 0.925 94 K HN 0.305 nan 8.250 nan 0.000 0.497 95 I N 3.719 124.045 120.570 -0.405 0.000 2.465 95 I HA 0.288 4.461 4.170 0.005 0.000 0.291 95 I C -1.457 174.405 176.117 -0.425 0.000 1.014 95 I CA -0.874 60.277 61.300 -0.249 0.000 1.093 95 I CB 0.744 38.624 38.000 -0.200 0.000 1.267 95 I HN 0.571 nan 8.210 nan 0.000 0.431 96 Y N 5.351 125.668 120.300 0.028 0.000 2.567 96 Y HA 0.704 5.257 4.550 0.005 0.000 0.333 96 Y C -0.369 175.569 175.900 0.064 0.000 1.106 96 Y CA -1.044 57.072 58.100 0.026 0.000 1.157 96 Y CB 1.695 40.179 38.460 0.041 0.000 1.277 96 Y HN 0.148 nan 8.280 nan 0.000 0.490 97 V N 1.434 121.454 119.914 0.177 0.000 2.524 97 V HA 0.347 4.470 4.120 0.005 0.000 0.297 97 V C -0.258 175.898 176.094 0.103 0.000 1.035 97 V CA -1.050 61.319 62.300 0.115 0.000 0.867 97 V CB 1.227 33.041 31.823 -0.015 0.000 1.004 97 V HN 0.958 nan 8.190 nan 0.000 0.426 98 T N 2.223 116.873 114.554 0.160 0.000 2.771 98 T HA 0.453 4.807 4.350 0.005 0.000 0.290 98 T C 0.032 174.720 174.700 -0.020 0.000 1.005 98 T CA -0.758 61.393 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 0.796 121.140 120.400 -0.093 0.000 2.090 99 K HA 0.334 4.657 4.320 0.005 0.000 0.249 99 K C -2.696 173.823 176.600 -0.134 0.000 0.995 99 K CA -2.120 53.988 56.287 -0.298 0.000 0.914 99 K CB 0.250 32.382 32.500 -0.612 0.000 1.057 99 K HN 0.303 nan 8.250 nan 0.000 0.462 100 P HA -0.103 nan 4.420 nan 0.000 0.257 100 P C -0.593 176.729 177.300 0.037 0.000 1.162 100 P CA 1.146 64.158 63.100 -0.146 0.000 0.762 100 P CB 0.312 31.723 31.700 -0.482 0.000 0.753 101 M N 2.055 121.679 119.600 0.039 0.000 2.849 101 M HA 0.563 5.047 4.480 0.005 0.000 0.299 101 M C -0.494 175.849 176.300 0.071 0.000 1.223 101 M CA -1.047 54.294 55.300 0.069 0.000 0.856 101 M CB 1.675 34.337 32.600 0.103 0.000 1.680 101 M HN -0.140 nan 8.290 nan 0.000 0.506 102 V N 1.525 121.492 119.914 0.089 0.000 2.568 102 V HA 0.201 4.324 4.120 0.005 0.000 0.276 102 V C -1.075 175.071 176.094 0.086 0.000 1.002 102 V CA -0.802 61.558 62.300 0.100 0.000 0.879 102 V CB 1.114 33.024 31.823 0.144 0.000 1.040 102 V HN 0.854 nan 8.190 nan 0.000 0.457 103 N N 4.118 122.849 118.700 0.052 0.000 2.406 103 N HA 0.363 5.106 4.740 0.005 0.000 0.251 103 N C -0.223 175.303 175.510 0.028 0.000 1.069 103 N CA -0.200 52.864 53.050 0.023 0.000 0.947 103 N CB 0.717 39.194 38.487 -0.017 0.000 1.111 103 N HN 0.853 nan 8.380 nan 0.000 0.497 104 E N 1.126 121.343 120.200 0.029 0.000 2.293 104 E HA 0.394 4.747 4.350 0.005 0.000 0.270 104 E C -0.932 175.678 176.600 0.017 0.000 0.879 104 E CA -1.130 55.285 56.400 0.025 0.000 0.756 104 E CB 0.975 30.693 29.700 0.030 0.000 1.208 104 E HN 0.480 nan 8.360 nan 0.000 0.428 105 S N 2.255 117.966 115.700 0.018 0.000 2.560 105 S HA 0.071 4.544 4.470 0.005 0.000 0.284 105 S C 0.008 174.617 174.600 0.015 0.000 1.327 105 S CA -0.309 57.901 58.200 0.018 0.000 1.055 105 S CB 0.071 63.286 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 4.612 4.640 0.005 0.000 0.248 106 D C 0.262 176.564 176.300 0.003 0.000 1.104 106 D CA 1.771 55.776 54.000 0.008 0.000 0.784 106 D CB -1.530 39.277 40.800 0.011 0.000 1.036 106 D HN 1.303 nan 8.370 nan 0.000 0.426 107 G N -2.377 106.425 108.800 0.002 0.000 2.337 107 G HA2 0.343 4.306 3.960 0.005 0.000 0.298 107 G HA3 0.343 4.306 3.960 0.005 0.000 0.298 107 G C -0.163 174.739 174.900 0.005 0.000 1.335 107 G CA -0.327 44.772 45.100 -0.002 0.000 0.875 107 G HN 0.275 nan 8.290 nan 0.000 0.579 108 V N -0.560 119.357 119.914 0.005 0.000 3.766 108 V HA 0.529 4.652 4.120 0.005 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 33.047 31.823 0.027 0.000 1.210 108 V HN 0.837 nan 8.190 nan 0.000 0.457 109 T N 0.087 114.680 114.554 0.064 0.000 2.795 109 T HA 0.429 4.782 4.350 0.005 0.000 0.282 109 T C -0.777 174.019 174.700 0.160 0.000 0.980 109 T CA 0.021 62.174 62.100 0.087 0.000 1.012 109 T CB 0.247 69.150 68.868 0.058 0.000 0.936 109 T HN 0.753 nan 8.240 nan 0.000 0.457 110 H N 1.626 120.722 119.070 0.043 0.000 2.573 110 H HA 0.681 5.242 4.556 0.009 0.000 0.351 110 H C -0.342 175.028 175.328 0.069 0.000 1.163 110 H CA -0.836 55.244 56.048 0.054 0.000 1.205 110 H CB 1.203 30.997 29.762 0.052 0.000 1.605 110 H HN 0.700 nan 8.280 nan 0.000 0.525 111 A N 4.282 126.825 122.820 -0.463 0.000 2.395 111 A HA 0.333 4.656 4.320 0.005 0.000 0.286 111 A C -0.722 176.592 177.584 -0.450 0.000 1.193 111 A CA -0.345 51.476 52.037 -0.360 0.000 0.852 111 A CB -0.756 18.080 19.000 -0.274 0.000 1.118 111 A HN 0.539 nan 8.150 nan 0.000 0.524 112 L N 3.853 124.945 121.223 -0.219 0.000 2.292 112 L HA 0.592 4.935 4.340 0.005 0.000 0.284 112 L C -0.960 175.871 176.870 -0.066 0.000 1.065 112 L CA -0.023 54.793 54.840 -0.040 0.000 0.806 112 L CB 0.361 42.478 42.059 0.096 0.000 1.175 112 L HN 0.614 nan 8.230 nan 0.000 0.431 113 Y N 5.558 125.879 120.300 0.036 0.000 2.528 113 Y HA 0.464 5.017 4.550 0.005 0.000 0.335 113 Y C -1.479 174.472 175.900 0.084 0.000 1.093 113 Y CA -1.786 56.365 58.100 0.085 0.000 1.134 113 Y CB 0.787 39.201 38.460 -0.076 0.000 1.253 113 Y HN 0.530 nan 8.280 nan 0.000 0.478 114 P HA -0.238 nan 4.420 nan 0.000 0.215 114 P C 1.081 178.359 177.300 -0.038 0.000 1.153 114 P CA 1.640 64.583 63.100 -0.261 0.000 0.853 114 P CB 0.568 32.053 31.700 -0.358 0.000 0.788 115 Q N 0.813 120.634 119.800 0.034 0.000 1.967 115 Q HA -0.188 4.155 4.340 0.005 0.000 0.202 115 Q C 2.418 178.449 176.000 0.052 0.000 0.985 115 Q CA 2.008 57.830 55.803 0.032 0.000 0.839 115 Q CB -1.200 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 -0.851 119.396 120.200 0.078 0.000 2.086 116 E HA -0.291 4.062 4.350 0.005 0.000 0.200 116 E C 1.753 178.405 176.600 0.085 0.000 1.012 116 E CA 1.387 57.839 56.400 0.087 0.000 0.812 116 E CB -0.323 29.452 29.700 0.124 0.000 0.743 116 E HN 0.420 nan 8.360 nan 0.000 0.453 117 A N 1.108 123.994 122.820 0.109 0.000 1.873 117 A HA -0.271 4.052 4.320 0.005 0.000 0.218 117 A C 2.186 179.809 177.584 0.065 0.000 1.193 117 A CA 2.013 54.113 52.037 0.106 0.000 0.629 117 A CB -0.653 18.439 19.000 0.154 0.000 0.826 117 A HN 0.232 nan 8.150 nan 0.000 0.447 118 R N -0.914 119.618 120.500 0.054 0.000 2.081 118 R HA -0.008 4.336 4.340 0.005 0.000 0.235 118 R C 2.155 178.495 176.300 0.066 0.000 1.131 118 R CA 1.381 57.515 56.100 0.057 0.000 0.960 118 R CB -0.437 29.893 30.300 0.050 0.000 0.856 118 R HN 0.536 nan 8.270 nan 0.000 0.436 119 L N 0.060 121.323 121.223 0.065 0.000 2.072 119 L HA -0.124 4.219 4.340 0.005 0.000 0.205 119 L C 1.896 178.835 176.870 0.114 0.000 1.079 119 L CA 1.355 56.249 54.840 0.090 0.000 0.752 119 L CB -0.144 41.958 42.059 0.072 0.000 0.906 119 L HN 0.123 nan 8.230 nan 0.000 0.436 120 R N 0.149 120.667 120.500 0.030 0.000 2.334 120 R HA 0.117 4.461 4.340 0.005 0.000 0.220 120 R C -0.088 176.027 176.300 -0.308 0.000 0.917 120 R CA -0.039 55.991 56.100 -0.116 0.000 1.073 120 R CB -0.192 30.068 30.300 -0.067 0.000 1.056 120 R HN 0.385 nan 8.270 nan 0.000 0.506 121 N N 1.158 119.774 118.700 -0.139 0.000 2.740 121 N HA -0.183 4.560 4.740 0.005 0.000 0.248 121 N C -0.629 174.822 175.510 -0.098 0.000 1.062 121 N CA 0.248 53.224 53.050 -0.123 0.000 0.704 121 N CB -1.098 37.244 38.487 -0.243 0.000 0.968 121 N HN 0.243 nan 8.380 nan 0.000 0.547 122 L N 0.013 121.218 121.223 -0.030 0.000 2.431 122 L HA 0.414 4.757 4.340 0.005 0.000 0.260 122 L C 0.951 177.865 176.870 0.075 0.000 1.098 122 L CA -0.409 54.442 54.840 0.017 0.000 0.800 122 L CB 1.063 43.154 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 4.502 4.350 0.005 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 68.619 68.868 0.087 0.000 0.994 123 T HN 0.241 nan 8.240 nan 0.000 0.479 124 Y N 4.984 125.334 120.300 0.085 0.000 2.735 124 Y HA 0.141 4.693 4.550 0.004 0.000 0.367 124 Y C 0.772 176.740 175.900 0.113 0.000 1.333 124 Y CA -0.159 58.000 58.100 0.098 0.000 1.861 124 Y CB -0.847 37.669 38.460 0.094 0.000 1.457 124 Y HN 0.603 nan 8.280 nan 0.000 0.457 125 S N 1.952 117.667 115.700 0.024 0.000 2.671 125 S HA 0.914 5.388 4.470 0.005 0.000 0.299 125 S C -0.451 174.120 174.600 -0.047 0.000 1.116 125 S CA -0.513 57.692 58.200 0.009 0.000 0.912 125 S CB 1.790 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 -0.247 115.454 115.700 0.002 0.000 2.671 126 S HA 0.827 5.300 4.470 0.005 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 0.021 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 4.393 3.960 0.005 0.000 0.256 127 G HA3 0.430 4.393 3.960 0.005 0.000 0.256 127 G C -0.862 174.137 174.900 0.165 0.000 1.259 127 G CA -0.210 45.064 45.100 0.291 0.000 0.943 127 G HN 0.543 nan 8.290 nan 0.000 0.479 128 L N 4.061 125.182 121.223 -0.170 0.000 2.371 128 L HA 0.508 4.851 4.340 0.005 0.000 0.262 128 L C -0.924 175.739 176.870 -0.345 0.000 1.054 128 L CA -1.026 53.704 54.840 -0.184 0.000 0.924 128 L CB -0.086 41.850 42.059 -0.205 0.000 1.295 128 L HN 0.350 nan 8.230 nan 0.000 0.441 129 F N 2.684 122.684 119.950 0.084 0.000 2.404 129 F HA 0.593 5.123 4.527 0.004 0.000 0.339 129 F C 0.522 176.441 175.800 0.198 0.000 1.105 129 F CA -0.573 57.514 58.000 0.146 0.000 1.087 129 F CB 1.261 40.364 39.000 0.172 0.000 1.143 129 F HN 0.006 nan 8.300 nan 0.000 0.491 130 V N 1.244 121.355 119.914 0.328 0.000 3.093 130 V HA 0.335 4.458 4.120 0.005 0.000 0.320 130 V C -0.632 175.668 176.094 0.342 0.000 1.093 130 V CA -0.875 61.606 62.300 0.301 0.000 1.016 130 V CB 2.041 34.044 31.823 0.301 0.000 1.096 130 V HN 0.636 nan 8.190 nan 0.000 0.452 131 D N 1.275 121.857 120.400 0.304 0.000 2.432 131 D HA 0.360 5.003 4.640 0.005 0.000 0.265 131 D C -0.960 175.441 176.300 0.169 0.000 1.160 131 D CA -0.010 54.137 54.000 0.244 0.000 0.911 131 D CB 1.562 42.515 40.800 0.254 0.000 1.052 131 D HN 0.238 nan 8.370 nan 0.000 0.508 132 V N 3.187 123.167 119.914 0.111 0.000 2.607 132 V HA 0.300 4.424 4.120 0.005 0.000 0.289 132 V C 0.447 176.514 176.094 -0.044 0.000 1.053 132 V CA -0.372 61.903 62.300 -0.040 0.000 0.996 132 V CB 1.583 33.334 31.823 -0.121 0.000 0.995 132 V HN 0.251 nan 8.190 nan 0.000 0.476 133 K N 4.496 124.841 120.400 -0.092 0.000 2.221 133 K HA 0.623 4.946 4.320 0.005 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 1.993 34.477 32.500 -0.027 0.000 1.113 133 K HN 0.775 nan 8.250 nan 0.000 0.431 165 V N 3.377 123.468 119.914 0.295 0.000 2.427 165 V HA 0.391 4.514 4.120 0.005 0.000 0.286 165 V C -0.246 176.033 176.094 0.308 0.000 1.034 165 V CA -0.648 61.827 62.300 0.290 0.000 0.893 165 V CB 0.997 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 5.814 125.800 119.950 0.060 0.000 2.399 166 F HA 0.625 5.156 4.527 0.007 0.000 0.342 166 F C -0.029 175.679 175.800 -0.154 0.000 1.106 166 F CA -0.519 57.326 58.000 -0.259 0.000 1.196 166 F CB 0.496 39.348 39.000 -0.246 0.000 1.163 166 F HN 0.319 nan 8.300 nan 0.000 0.547 167 I N 5.992 125.848 120.570 -1.189 0.000 2.563 167 I HA 0.300 4.473 4.170 0.005 0.000 0.281 167 I C 0.322 175.813 176.117 -1.043 0.000 1.110 167 I CA -0.478 60.337 61.300 -0.807 0.000 1.073 167 I CB 0.983 38.781 38.000 -0.337 0.000 1.215 167 I HN 0.951 nan 8.210 nan 0.000 0.460 168 G N 6.281 114.508 108.800 -0.955 0.000 2.649 168 G HA2 -0.254 3.709 3.960 0.005 0.000 0.413 168 G HA3 -0.254 3.709 3.960 0.005 0.000 0.413 168 G C -0.277 174.372 174.900 -0.418 0.000 1.335 168 G CA -0.218 44.577 45.100 -0.509 0.000 0.917 168 G HN 0.672 nan 8.290 nan 0.000 0.552 169 R N -1.352 119.091 120.500 -0.096 0.000 2.621 169 R HA 0.540 4.883 4.340 0.005 0.000 0.292 169 R C -0.860 175.462 176.300 0.037 0.000 0.969 169 R CA -1.001 55.104 56.100 0.008 0.000 0.887 169 R CB 1.925 32.282 30.300 0.095 0.000 1.180 169 R HN 0.521 nan 8.270 nan 0.000 0.450 170 L N 4.809 126.078 121.223 0.077 0.000 2.264 170 L HA 0.425 4.768 4.340 0.005 0.000 0.287 170 L C -2.359 174.604 176.870 0.155 0.000 1.039 170 L CA -2.104 52.823 54.840 0.145 0.000 0.829 170 L CB 0.916 43.095 42.059 0.201 0.000 1.211 170 L HN 0.429 nan 8.230 nan 0.000 0.427 171 P HA 0.005 nan 4.420 nan 0.000 0.261 171 P C -0.338 177.132 177.300 0.282 0.000 1.183 171 P CA 0.505 63.670 63.100 0.108 0.000 0.761 171 P CB 0.416 32.077 31.700 -0.064 0.000 0.785 172 I N 4.276 125.052 120.570 0.344 0.000 2.395 172 I HA 0.221 4.394 4.170 0.005 0.000 0.289 172 I C 1.338 177.607 176.117 0.253 0.000 1.023 172 I CA -0.790 60.758 61.300 0.414 0.000 1.350 172 I CB 0.961 39.093 38.000 0.220 0.000 1.409 172 I HN 0.279 nan 8.210 nan 0.000 0.507 173 M N 6.877 126.249 119.600 -0.380 0.000 2.227 173 M HA 0.102 4.585 4.480 0.005 0.000 0.349 173 M C -0.397 175.695 176.300 -0.347 0.000 1.443 173 M CA -0.645 54.122 55.300 -0.887 0.000 1.110 173 M CB 0.458 32.242 32.600 -1.361 0.000 1.773 173 M HN 0.385 nan 8.290 nan 0.000 0.463 174 L N 6.267 127.218 121.223 -0.454 0.000 2.717 174 L HA -0.036 4.307 4.340 0.005 0.000 0.281 174 L C 0.537 177.254 176.870 -0.255 0.000 1.329 174 L CA 1.314 55.931 54.840 -0.372 0.000 1.202 174 L CB -1.315 40.282 42.059 -0.771 0.000 1.425 174 L HN 0.970 nan 8.230 nan 0.000 0.438 175 R N -0.883 119.566 120.500 -0.085 0.000 1.754 175 R HA -0.081 4.262 4.340 0.005 0.000 0.418 175 R C 0.180 176.487 176.300 0.011 0.000 0.302 175 R CA 0.742 56.818 56.100 -0.040 0.000 1.361 175 R CB -1.243 29.013 30.300 -0.072 0.000 1.923 175 R HN 0.586 nan 8.270 nan 0.000 0.271 176 S N -0.280 115.460 115.700 0.067 0.000 2.634 176 S HA 0.272 4.745 4.470 0.005 0.000 0.261 176 S C 1.082 175.733 174.600 0.085 0.000 1.271 176 S CA -0.588 57.703 58.200 0.152 0.000 0.985 176 S CB 1.196 64.656 63.200 0.434 0.000 0.968 176 S HN 0.248 nan 8.310 nan 0.000 0.568 177 K N 0.653 121.086 120.400 0.056 0.000 2.228 177 K HA -0.204 4.119 4.320 0.005 0.000 0.205 177 K C 1.492 178.074 176.600 -0.030 0.000 1.045 177 K CA 1.915 58.204 56.287 0.003 0.000 0.931 177 K CB -0.448 32.042 32.500 -0.016 0.000 0.727 177 K HN 0.515 nan 8.250 nan 0.000 0.458 178 N N 0.421 119.110 118.700 -0.019 0.000 2.197 178 N HA -0.068 4.675 4.740 0.005 0.000 0.184 178 N C 0.501 175.890 175.510 -0.201 0.000 1.030 178 N CA 0.418 53.404 53.050 -0.106 0.000 0.851 178 N CB -0.310 38.142 38.487 -0.057 0.000 1.003 178 N HN 0.141 nan 8.380 nan 0.000 0.430 179 C N 1.773 121.046 119.300 -0.044 0.000 2.334 179 C HA -0.132 4.331 4.460 0.005 0.000 0.395 179 C C 1.392 176.373 174.990 -0.015 0.000 1.507 179 C CA -0.411 58.638 59.018 0.053 0.000 1.494 179 C CB -1.367 26.489 27.740 0.192 0.000 2.509 179 C HN 0.485 nan 8.230 nan 0.000 0.599 180 Y N 3.729 124.045 120.300 0.026 0.000 2.384 180 Y HA -0.092 4.462 4.550 0.007 0.000 0.289 180 Y C 2.009 177.931 175.900 0.038 0.000 1.152 180 Y CA 1.268 59.360 58.100 -0.014 0.000 1.258 180 Y CB -0.629 37.749 38.460 -0.136 0.000 0.979 180 Y HN 0.657 nan 8.280 nan 0.000 0.549 181 L N -0.393 120.954 121.223 0.207 0.000 2.141 181 L HA -0.213 4.130 4.340 0.005 0.000 0.209 181 L C 2.584 179.495 176.870 0.068 0.000 1.094 181 L CA 1.303 56.215 54.840 0.121 0.000 0.763 181 L CB -0.853 41.248 42.059 0.071 0.000 0.908 181 L HN 0.331 nan 8.230 nan 0.000 0.437 182 S N 0.257 115.988 115.700 0.052 0.000 2.400 182 S HA -0.288 4.185 4.470 0.005 0.000 0.234 182 S C 1.623 176.239 174.600 0.028 0.000 1.049 182 S CA 1.977 60.194 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 0.597 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 0.489 4.842 4.350 0.005 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 29.656 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 4.364 4.320 0.005 0.000 0.232 184 A C 0.803 178.408 177.584 0.036 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 -0.422 114.153 114.554 0.035 0.000 2.852 185 T HA 0.360 4.713 4.350 0.005 0.000 0.281 185 T C 1.009 175.716 174.700 0.010 0.000 0.993 185 T CA 0.460 62.572 62.100 0.020 0.000 0.933 185 T CB 0.843 69.727 68.868 0.027 0.000 1.187 185 T HN 0.709 nan 8.240 nan 0.000 0.559 186 E N 0.139 120.346 120.200 0.011 0.000 2.007 186 E HA -0.163 4.190 4.350 0.005 0.000 0.194 186 E C 2.393 179.069 176.600 0.127 0.000 0.999 186 E CA 1.748 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 0.800 116.586 115.700 0.144 0.000 2.407 187 S HA -0.248 4.225 4.470 0.005 0.000 0.235 187 S C 1.571 176.251 174.600 0.132 0.000 1.036 187 S CA 1.724 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 1.552 122.000 120.400 0.081 0.000 2.123 188 D HA 0.069 4.712 4.640 0.005 0.000 0.200 188 D C 2.050 178.377 176.300 0.046 0.000 0.976 188 D CA 0.943 54.979 54.000 0.059 0.000 0.831 188 D CB -0.284 40.550 40.800 0.057 0.000 0.974 188 D HN 0.394 nan 8.370 nan 0.000 0.469 189 L N -0.097 121.130 121.223 0.006 0.000 1.976 189 L HA -0.223 4.120 4.340 0.005 0.000 0.209 189 L C 2.524 179.351 176.870 -0.072 0.000 1.071 189 L CA 1.243 56.041 54.840 -0.070 0.000 0.746 189 L CB -0.814 41.128 42.059 -0.196 0.000 0.890 189 L HN 0.078 nan 8.230 nan 0.000 0.432 190 Y N 0.656 120.941 120.300 -0.025 0.000 2.030 190 Y HA -0.366 4.187 4.550 0.004 0.000 0.272 190 Y C 2.722 178.594 175.900 -0.046 0.000 1.185 190 Y CA 1.737 59.816 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 0.074 nan 8.280 nan 0.000 0.495 191 K N 0.031 120.506 120.400 0.125 0.000 2.228 191 K HA -0.200 4.123 4.320 0.005 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 4.392 4.340 0.005 0.000 0.228 192 L C 0.146 176.985 176.870 -0.052 0.000 1.133 192 L CA 0.153 54.943 54.840 -0.082 0.000 0.880 192 L CB -0.137 41.919 42.059 -0.004 0.000 1.033 192 L HN 0.142 nan 8.230 nan 0.000 0.450 193 K N 0.149 120.531 120.400 -0.030 0.000 3.192 193 K HA -0.151 4.172 4.320 0.005 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 -1.189 31.289 32.500 -0.038 0.000 1.256 193 K HN 0.196 nan 8.250 nan 0.000 0.497 194 E N 1.027 121.194 120.200 -0.055 0.000 2.155 194 E HA 0.132 4.485 4.350 0.005 0.000 0.264 194 E C -0.476 176.044 176.600 -0.133 0.000 0.886 194 E CA -0.556 55.809 56.400 -0.059 0.000 0.752 194 E CB 1.538 31.221 29.700 -0.027 0.000 1.133 194 E HN 0.303 nan 8.360 nan 0.000 0.414 195 C N 6.681 125.915 119.300 -0.109 0.000 2.538 195 C HA 0.078 4.541 4.460 0.005 0.000 0.408 195 C C -0.775 174.112 174.990 -0.172 0.000 1.421 195 C CA -1.047 57.883 59.018 -0.146 0.000 1.642 195 C CB 0.047 27.764 27.740 -0.038 0.000 2.553 195 C HN 0.567 nan 8.230 nan 0.000 0.604 196 P HA -0.020 nan 4.420 nan 0.000 0.242 196 P C 0.851 177.955 177.300 -0.326 0.000 1.197 196 P CA 1.323 64.205 63.100 -0.364 0.000 0.765 196 P CB -0.062 31.315 31.700 -0.537 0.000 0.936 197 F N 0.119 119.979 119.950 -0.151 0.000 2.656 197 F HA 0.147 4.677 4.527 0.005 0.000 0.291 197 F C 1.154 176.997 175.800 0.071 0.000 1.122 197 F CA -0.205 57.725 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 4.577 4.640 0.005 0.000 0.235 198 D C 1.314 177.736 176.300 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 2.024 121.758 119.600 0.223 0.000 2.461 199 M HA 0.264 4.747 4.480 0.005 0.000 0.255 199 M C 0.802 177.165 176.300 0.104 0.000 1.137 199 M CA 0.366 55.755 55.300 0.147 0.000 1.086 199 M CB -1.155 31.521 32.600 0.127 0.000 1.356 199 M HN 0.333 nan 8.290 nan 0.000 0.487 200 G N 1.485 110.411 108.800 0.209 0.000 2.704 200 G HA2 0.002 3.965 3.960 0.005 0.000 0.338 200 G HA3 0.002 3.965 3.960 0.005 0.000 0.338 200 G C 0.498 175.332 174.900 -0.110 0.000 0.073 200 G CA 0.383 45.552 45.100 0.116 0.000 1.219 200 G HN 1.046 nan 8.290 nan 0.000 0.578 201 G N 2.187 110.954 108.800 -0.055 0.000 4.765 201 G HA2 0.570 4.533 3.960 0.005 0.000 0.276 201 G HA3 0.570 4.533 3.960 0.005 0.000 0.276 201 G C 0.083 174.783 174.900 -0.333 0.000 0.986 201 G CA 0.361 45.337 45.100 -0.207 0.000 0.755 201 G HN 1.254 nan 8.290 nan 0.000 0.391 202 Y N -1.415 118.630 120.300 -0.426 0.000 2.675 202 Y HA 0.865 5.418 4.550 0.005 0.000 0.328 202 Y C -0.550 174.960 175.900 -0.650 0.000 1.092 202 Y CA -2.217 55.590 58.100 -0.489 0.000 1.190 202 Y CB 1.056 39.379 38.460 -0.229 0.000 1.350 202 Y HN -0.132 nan 8.280 nan 0.000 0.525 203 F N 0.035 119.986 119.950 0.003 0.000 2.572 203 F HA 0.622 5.152 4.527 0.005 0.000 0.342 203 F C -0.273 175.573 175.800 0.076 0.000 1.064 203 F CA -1.133 56.840 58.000 -0.046 0.000 1.008 203 F CB 1.601 40.584 39.000 -0.028 0.000 1.303 203 F HN 0.257 nan 8.300 nan 0.000 0.492 204 I N 2.991 123.731 120.570 0.283 0.000 2.595 204 I HA 0.269 4.442 4.170 0.005 0.000 0.275 204 I C -1.342 174.889 176.117 0.191 0.000 1.092 204 I CA -0.274 61.146 61.300 0.201 0.000 1.145 204 I CB 0.706 38.767 38.000 0.101 0.000 1.276 204 I HN 0.268 nan 8.210 nan 0.000 0.497 205 I N 5.866 126.530 120.570 0.158 0.000 2.321 205 I HA 0.314 4.487 4.170 0.005 0.000 0.291 205 I C 0.716 176.880 176.117 0.078 0.000 0.998 205 I CA -0.024 61.339 61.300 0.105 0.000 1.227 205 I CB 0.577 38.621 38.000 0.073 0.000 1.368 205 I HN 0.418 nan 8.210 nan 0.000 0.466 206 N N 5.177 123.913 118.700 0.061 0.000 2.714 206 N HA -0.222 4.521 4.740 0.005 0.000 0.250 206 N C 1.115 176.651 175.510 0.043 0.000 1.117 206 N CA 1.238 54.310 53.050 0.036 0.000 0.719 206 N CB -1.199 37.312 38.487 0.039 0.000 1.081 206 N HN 1.141 nan 8.380 nan 0.000 0.557 207 G N -1.450 107.385 108.800 0.059 0.000 2.234 207 G HA2 -0.325 3.638 3.960 0.005 0.000 0.260 207 G HA3 -0.325 3.638 3.960 0.005 0.000 0.260 207 G C 0.053 174.999 174.900 0.076 0.000 0.987 207 G CA 0.911 46.051 45.100 0.066 0.000 0.625 207 G HN 1.434 nan 8.290 nan 0.000 0.532 208 S N 0.393 116.140 115.700 0.078 0.000 2.438 208 S HA 0.594 5.067 4.470 0.005 0.000 0.293 208 S C -0.049 174.609 174.600 0.096 0.000 1.141 208 S CA -0.312 57.928 58.200 0.068 0.000 1.080 208 S CB 1.478 64.712 63.200 0.056 0.000 0.978 208 S HN 0.377 nan 8.310 nan 0.000 0.479 209 E N 3.615 123.863 120.200 0.080 0.000 2.238 209 E HA 0.110 4.463 4.350 0.005 0.000 0.264 209 E C -0.138 176.520 176.600 0.096 0.000 1.136 209 E CA -0.051 56.429 56.400 0.133 0.000 0.929 209 E CB 0.389 30.052 29.700 -0.063 0.000 1.010 209 E HN 0.471 nan 8.360 nan 0.000 0.440 210 K N 2.299 122.814 120.400 0.191 0.000 2.182 210 K HA 0.438 4.761 4.320 0.005 0.000 0.262 210 K C -0.444 176.262 176.600 0.177 0.000 0.957 210 K CA -0.846 55.533 56.287 0.154 0.000 0.842 210 K CB 2.046 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 3.317 123.251 119.914 0.035 0.000 2.581 211 V HA 0.364 4.487 4.120 0.005 0.000 0.303 211 V C 0.102 176.169 176.094 -0.046 0.000 1.041 211 V CA -0.994 61.267 62.300 -0.066 0.000 0.907 211 V CB 1.734 33.343 31.823 -0.357 0.000 0.994 211 V HN 0.552 nan 8.190 nan 0.000 0.442 212 L N 5.267 126.481 121.223 -0.015 0.000 2.259 212 L HA 0.395 4.738 4.340 0.005 0.000 0.288 212 L C -0.298 176.500 176.870 -0.120 0.000 1.051 212 L CA -0.528 54.291 54.840 -0.034 0.000 0.824 212 L CB 0.829 42.929 42.059 0.067 0.000 1.206 212 L HN 0.442 nan 8.230 nan 0.000 0.429 213 I N 3.650 124.133 120.570 -0.145 0.000 2.578 213 I HA 0.025 4.198 4.170 0.005 0.000 0.286 213 I C 1.136 177.177 176.117 -0.128 0.000 1.126 213 I CA 0.092 61.319 61.300 -0.123 0.000 1.380 213 I CB 0.532 38.483 38.000 -0.082 0.000 1.408 213 I HN 0.579 nan 8.210 nan 0.000 0.532 214 A N 8.516 131.278 122.820 -0.097 0.000 2.584 214 A HA 0.010 4.334 4.320 0.005 0.000 0.239 214 A C 0.450 177.981 177.584 -0.089 0.000 1.043 214 A CA 0.005 51.989 52.037 -0.088 0.000 0.756 214 A CB -0.049 18.916 19.000 -0.058 0.000 0.963 214 A HN 0.667 nan 8.150 nan 0.000 0.511 215 Q N 1.651 121.388 119.800 -0.106 0.000 2.347 215 Q HA 0.257 4.600 4.340 0.005 0.000 0.262 215 Q C -0.379 175.581 176.000 -0.066 0.000 0.980 215 Q CA -0.150 55.596 55.803 -0.096 0.000 0.867 215 Q CB 1.714 30.368 28.738 -0.140 0.000 1.242 215 Q HN 0.866 nan 8.270 nan 0.000 0.453 216 E N 3.379 123.557 120.200 -0.037 0.000 2.200 216 E HA 0.354 4.707 4.350 0.005 0.000 0.283 216 E C -0.606 175.980 176.600 -0.023 0.000 1.015 216 E CA -0.285 56.101 56.400 -0.023 0.000 0.819 216 E CB 0.769 30.493 29.700 0.040 0.000 1.081 216 E HN 0.525 nan 8.360 nan 0.000 0.397 217 R N 1.233 121.708 120.500 -0.042 0.000 2.781 217 R HA 0.435 4.778 4.340 0.005 0.000 0.269 217 R C -0.967 175.308 176.300 -0.042 0.000 1.025 217 R CA -0.960 55.123 56.100 -0.030 0.000 0.914 217 R CB 1.198 31.480 30.300 -0.030 0.000 1.236 217 R HN 0.319 nan 8.270 nan 0.000 0.465 218 S N 0.383 116.070 115.700 -0.022 0.000 2.565 218 S HA 0.533 5.007 4.470 0.005 0.000 0.276 218 S C 0.240 174.812 174.600 -0.046 0.000 1.326 218 S CA -0.131 58.053 58.200 -0.026 0.000 1.045 218 S CB 0.637 63.843 63.200 0.010 0.000 0.918 218 S HN 0.742 nan 8.310 nan 0.000 0.505 219 A N 3.541 126.315 122.820 -0.078 0.000 2.406 219 A HA 0.602 4.925 4.320 0.005 0.000 0.243 219 A C 0.815 178.369 177.584 -0.051 0.000 1.082 219 A CA 0.058 52.040 52.037 -0.092 0.000 0.786 219 A CB -0.416 18.486 19.000 -0.164 0.000 1.029 219 A HN 1.115 nan 8.150 nan 0.000 0.495 220 G N -0.705 108.069 108.800 -0.043 0.000 2.521 220 G HA2 0.459 4.422 3.960 0.005 0.000 0.323 220 G HA3 0.459 4.422 3.960 0.005 0.000 0.323 220 G C -0.181 174.688 174.900 -0.052 0.000 1.211 220 G CA -0.363 44.717 45.100 -0.034 0.000 0.979 220 G HN 0.994 nan 8.290 nan 0.000 0.490 221 N N -1.413 117.225 118.700 -0.103 0.000 2.756 221 N HA -0.149 4.594 4.740 0.005 0.000 0.248 221 N C -0.624 174.873 175.510 -0.021 0.000 1.062 221 N CA 0.886 53.806 53.050 -0.215 0.000 0.696 221 N CB -1.258 37.004 38.487 -0.374 0.000 0.946 221 N HN 0.543 nan 8.380 nan 0.000 0.548 222 I N -0.187 120.399 120.570 0.026 0.000 2.499 222 I HA 0.273 4.446 4.170 0.005 0.000 0.288 222 I C 0.381 176.526 176.117 0.046 0.000 1.048 222 I CA -1.101 60.235 61.300 0.060 0.000 1.062 222 I CB 2.163 40.177 38.000 0.023 0.000 1.238 222 I HN -0.285 nan 8.210 nan 0.000 0.426 223 V N 6.286 126.239 119.914 0.065 0.000 2.521 223 V HA 0.135 4.258 4.120 0.005 0.000 0.286 223 V C 0.057 176.065 176.094 -0.143 0.000 1.034 223 V CA 0.011 62.308 62.300 -0.005 0.000 1.045 223 V CB 0.558 32.370 31.823 -0.018 0.000 0.974 223 V HN 0.724 nan 8.190 nan 0.000 0.480 224 Q N 3.540 123.181 119.800 -0.266 0.000 2.295 224 Q HA 0.442 4.785 4.340 0.005 0.000 0.259 224 Q C -1.267 174.264 176.000 -0.782 0.000 0.966 224 Q CA -0.574 54.901 55.803 -0.547 0.000 0.763 224 Q CB 2.511 30.820 28.738 -0.715 0.000 1.283 224 Q HN 0.593 nan 8.270 nan 0.000 0.445 225 V N 3.374 122.958 119.914 -0.549 0.000 2.583 225 V HA 0.417 4.540 4.120 0.005 0.000 0.287 225 V C -0.415 175.476 176.094 -0.339 0.000 1.051 225 V CA 0.206 62.297 62.300 -0.348 0.000 1.010 225 V CB 0.358 32.095 31.823 -0.144 0.000 0.988 225 V HN 0.611 nan 8.190 nan 0.000 0.478 226 F N 3.140 123.116 119.950 0.044 0.000 2.612 226 F HA 0.412 4.942 4.527 0.005 0.000 0.332 226 F C 0.495 176.286 175.800 -0.015 0.000 1.167 226 F CA -1.090 56.920 58.000 0.017 0.000 0.970 226 F CB 1.555 40.557 39.000 0.003 0.000 1.234 226 F HN 0.365 nan 8.300 nan 0.000 0.453 227 K N 3.082 123.567 120.400 0.142 0.000 2.469 227 K HA 0.138 4.461 4.320 0.005 0.000 0.274 227 K C -0.319 176.227 176.600 -0.092 0.000 0.983 227 K CA 0.170 56.377 56.287 -0.133 0.000 0.974 227 K CB 0.914 33.325 32.500 -0.150 0.000 0.913 227 K HN 0.541 nan 8.250 nan 0.000 0.493 228 K N 0.959 121.260 120.400 -0.165 0.000 2.316 228 K HA 0.341 4.664 4.320 0.005 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 1.694 34.148 32.500 -0.076 0.000 1.171 228 K HN 0.735 nan 8.250 nan 0.000 0.426 229 A N 2.078 124.851 122.820 -0.078 0.000 2.672 229 A HA -0.037 4.286 4.320 0.005 0.000 0.232 229 A C 1.130 178.678 177.584 -0.059 0.000 1.121 229 A CA 1.278 53.277 52.037 -0.063 0.000 0.829 229 A CB -0.208 18.762 19.000 -0.051 0.000 1.027 229 A HN 0.964 nan 8.150 nan 0.000 0.515 230 A N 1.268 124.062 122.820 -0.044 0.000 1.872 230 A HA 0.100 4.423 4.320 0.005 0.000 0.214 230 A C -0.309 177.258 177.584 -0.027 0.000 1.187 230 A CA 1.396 53.413 52.037 -0.034 0.000 0.614 230 A CB -1.283 17.703 19.000 -0.024 0.000 0.826 230 A HN 0.744 nan 8.150 nan 0.000 0.442 231 P HA 0.091 nan 4.420 nan 0.000 0.261 231 P C -0.165 177.121 177.300 -0.023 0.000 1.650 231 P CA 0.700 63.789 63.100 -0.019 0.000 0.846 231 P CB -0.439 31.252 31.700 -0.016 0.000 1.758 232 S N 0.788 116.470 115.700 -0.031 0.000 2.632 232 S HA 0.625 5.098 4.470 0.005 0.000 0.289 232 S C -2.007 172.567 174.600 -0.043 0.000 1.115 232 S CA -1.548 56.627 58.200 -0.042 0.000 0.889 232 S CB 2.048 65.213 63.200 -0.058 0.000 1.116 232 S HN -0.125 nan 8.310 nan 0.000 0.486 233 P HA 0.228 nan 4.420 nan 0.000 0.224 233 P C 0.004 177.234 177.300 -0.116 0.000 1.159 233 P CA 0.366 63.431 63.100 -0.058 0.000 0.824 233 P CB -0.271 31.401 31.700 -0.046 0.000 0.833 234 I N 0.085 120.534 120.570 -0.202 0.000 2.440 234 I HA 0.251 4.424 4.170 0.005 0.000 0.294 234 I C 1.567 177.623 176.117 -0.103 0.000 0.995 234 I CA -0.549 60.612 61.300 -0.232 0.000 1.306 234 I CB 0.625 38.422 38.000 -0.338 0.000 1.407 234 I HN -0.182 nan 8.210 nan 0.000 0.501 235 S N 2.585 118.270 115.700 -0.026 0.000 2.475 235 S HA 0.247 4.720 4.470 0.005 0.000 0.224 235 S C 0.542 175.014 174.600 -0.213 0.000 1.042 235 S CA 0.296 58.468 58.200 -0.046 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 -0.803 118.267 119.070 0.000 0.000 2.985 236 H HA 0.733 5.292 4.556 0.005 0.000 0.360 236 H C -1.703 173.640 175.328 0.025 0.000 1.221 236 H CA -0.748 55.313 56.048 0.022 0.000 1.121 236 H CB 2.210 31.982 29.762 0.017 0.000 1.854 236 H HN 0.075 nan 8.280 nan 0.000 0.551 237 V N 0.593 120.609 119.914 0.169 0.000 2.891 237 V HA 0.488 4.611 4.120 0.005 0.000 0.304 237 V C -0.754 175.384 176.094 0.074 0.000 1.171 237 V CA -0.862 61.508 62.300 0.117 0.000 0.943 237 V CB 1.890 33.780 31.823 0.110 0.000 1.037 237 V HN 0.927 nan 8.190 nan 0.000 0.427 238 A N 3.544 126.393 122.820 0.048 0.000 2.303 238 A HA 0.873 5.196 4.320 0.005 0.000 0.320 238 A C -0.417 177.178 177.584 0.020 0.000 1.192 238 A CA -0.459 51.568 52.037 -0.016 0.000 0.821 238 A CB 0.771 19.765 19.000 -0.009 0.000 1.188 238 A HN 0.847 nan 8.150 nan 0.000 0.492 239 E N 0.786 120.968 120.200 -0.029 0.000 2.281 239 E HA 0.715 5.068 4.350 0.005 0.000 0.262 239 E C -1.333 175.292 176.600 0.041 0.000 0.933 239 E CA -0.721 55.702 56.400 0.039 0.000 0.809 239 E CB 2.774 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 1.282 121.902 120.570 0.082 0.000 2.622 240 I HA 0.172 4.345 4.170 0.005 0.000 0.283 240 I C -1.201 174.954 176.117 0.064 0.000 1.202 240 I CA -0.423 60.932 61.300 0.091 0.000 1.075 240 I CB 0.900 39.007 38.000 0.178 0.000 1.274 240 I HN 0.410 nan 8.210 nan 0.000 0.450 241 R N 5.673 126.197 120.500 0.040 0.000 2.387 241 R HA 0.275 4.619 4.340 0.005 0.000 0.321 241 R C -0.435 175.857 176.300 -0.014 0.000 1.174 241 R CA 0.053 56.169 56.100 0.027 0.000 1.002 241 R CB 0.295 30.613 30.300 0.028 0.000 1.028 241 R HN 0.672 nan 8.270 nan 0.000 0.482 242 S N 2.416 118.115 115.700 -0.002 0.000 2.525 242 S HA 0.781 5.254 4.470 0.005 0.000 0.278 242 S C -0.309 174.303 174.600 0.020 0.000 1.234 242 S CA -0.633 57.544 58.200 -0.038 0.000 1.058 242 S CB 2.087 65.310 63.200 0.039 0.000 0.983 242 S HN 0.671 nan 8.310 nan 0.000 0.495 243 A N 2.252 125.071 122.820 -0.002 0.000 2.533 243 A HA 0.796 5.120 4.320 0.005 0.000 0.293 243 A C -1.629 175.981 177.584 0.044 0.000 1.228 243 A CA -1.028 51.039 52.037 0.051 0.000 0.689 243 A CB 0.860 19.885 19.000 0.041 0.000 1.303 243 A HN 0.796 nan 8.150 nan 0.000 0.444 244 L N 0.968 122.214 121.223 0.038 0.000 2.342 244 L HA 0.374 4.717 4.340 0.005 0.000 0.276 244 L C 1.018 177.898 176.870 0.016 0.000 0.997 244 L CA -0.359 54.489 54.840 0.013 0.000 0.838 244 L CB 1.595 43.626 42.059 -0.046 0.000 1.224 244 L HN 1.004 nan 8.230 nan 0.000 0.416 245 E N 2.043 122.260 120.200 0.028 0.000 2.108 245 E HA -0.212 4.141 4.350 0.005 0.000 0.203 245 E C -0.099 176.516 176.600 0.025 0.000 1.022 245 E CA 1.612 58.031 56.400 0.032 0.000 0.823 245 E CB 0.101 29.826 29.700 0.043 0.000 0.744 245 E HN 0.488 nan 8.360 nan 0.000 0.456 246 K N -1.202 119.204 120.400 0.011 0.000 2.469 246 K HA 0.467 4.790 4.320 0.005 0.000 0.254 246 K C -0.676 175.912 176.600 -0.021 0.000 0.939 246 K CA -0.148 56.142 56.287 0.005 0.000 0.812 246 K CB 2.373 34.877 32.500 0.007 0.000 1.301 246 K HN 0.155 nan 8.250 nan 0.000 0.433 247 G N 1.465 110.256 108.800 -0.015 0.000 3.038 247 G HA2 -0.181 3.782 3.960 0.005 0.000 0.241 247 G HA3 -0.181 3.782 3.960 0.005 0.000 0.241 247 G C 0.257 175.099 174.900 -0.097 0.000 0.968 247 G CA 0.649 45.722 45.100 -0.044 0.000 0.949 247 G HN 0.781 nan 8.290 nan 0.000 0.394 248 S N 1.709 117.375 115.700 -0.057 0.000 4.035 248 S HA -0.341 4.132 4.470 0.005 0.000 0.251 248 S C 1.256 175.863 174.600 0.012 0.000 1.813 248 S CA 2.026 60.183 58.200 -0.072 0.000 4.119 248 S CB -1.409 61.572 63.200 -0.365 0.000 0.327 248 S HN 2.523 nan 8.310 nan 0.000 0.457 249 R N 0.100 120.574 120.500 -0.044 0.000 3.155 249 R HA -0.050 4.293 4.340 0.005 0.000 0.267 249 R C -0.087 176.338 176.300 0.208 0.000 1.078 249 R CA 0.727 56.863 56.100 0.060 0.000 0.712 249 R CB -2.616 27.731 30.300 0.077 0.000 1.287 249 R HN 0.534 nan 8.270 nan 0.000 0.395 250 F N 0.923 120.899 119.950 0.044 0.000 2.589 250 F HA 0.072 4.603 4.527 0.005 0.000 0.352 250 F C 1.533 177.359 175.800 0.044 0.000 1.168 250 F CA -0.034 57.996 58.000 0.051 0.000 1.353 250 F CB 0.494 39.530 39.000 0.059 0.000 1.116 250 F HN 0.100 nan 8.300 nan 0.000 0.608 251 I N 2.632 123.326 120.570 0.208 0.000 2.641 251 I HA 0.084 4.257 4.170 0.005 0.000 0.275 251 I C -0.947 175.211 176.117 0.069 0.000 1.129 251 I CA -0.231 61.138 61.300 0.114 0.000 1.094 251 I CB 1.109 39.157 38.000 0.080 0.000 1.232 251 I HN 0.371 nan 8.210 nan 0.000 0.503 252 S N 1.969 117.723 115.700 0.089 0.000 2.622 252 S HA 0.428 4.901 4.470 0.005 0.000 0.283 252 S C -0.089 174.559 174.600 0.079 0.000 1.197 252 S CA -0.646 57.598 58.200 0.073 0.000 1.146 252 S CB 0.886 64.153 63.200 0.112 0.000 1.007 252 S HN 0.373 nan 8.310 nan 0.000 0.478 253 T N 4.758 119.351 114.554 0.066 0.000 2.814 253 T HA 0.343 4.696 4.350 0.005 0.000 0.297 253 T C 0.120 174.878 174.700 0.097 0.000 0.956 253 T CA -0.400 61.745 62.100 0.075 0.000 1.123 253 T CB 0.350 69.259 68.868 0.069 0.000 0.902 253 T HN 0.689 nan 8.240 nan 0.000 0.528 254 L N 3.413 124.704 121.223 0.112 0.000 2.375 254 L HA 0.459 4.802 4.340 0.005 0.000 0.271 254 L C -0.364 176.593 176.870 0.144 0.000 1.107 254 L CA 0.052 54.983 54.840 0.152 0.000 0.806 254 L CB 0.877 43.038 42.059 0.169 0.000 1.146 254 L HN 0.609 nan 8.230 nan 0.000 0.447 255 Q N 4.104 123.996 119.800 0.153 0.000 2.337 255 Q HA 0.407 4.750 4.340 0.005 0.000 0.260 255 Q C -1.443 174.648 176.000 0.152 0.000 0.982 255 Q CA -0.728 55.158 55.803 0.137 0.000 0.734 255 Q CB 2.260 31.071 28.738 0.120 0.000 1.272 255 Q HN 0.565 nan 8.270 nan 0.000 0.461 256 V N 3.552 123.552 119.914 0.143 0.000 2.339 256 V HA 0.191 4.315 4.120 0.005 0.000 0.261 256 V C -0.004 176.175 176.094 0.142 0.000 1.058 256 V CA -0.298 62.092 62.300 0.150 0.000 0.897 256 V CB 0.026 31.931 31.823 0.136 0.000 1.052 256 V HN 0.545 nan 8.190 nan 0.000 0.480 257 K N 4.025 124.533 120.400 0.179 0.000 2.118 257 K HA 0.601 4.924 4.320 0.005 0.000 0.267 257 K C -0.589 176.150 176.600 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 34.350 32.500 0.157 0.000 1.041 257 K HN 0.437 nan 8.250 nan 0.000 0.455 258 L N 3.467 124.795 121.223 0.174 0.000 2.387 258 L HA 0.295 4.638 4.340 0.005 0.000 0.259 258 L C -1.390 175.604 176.870 0.206 0.000 1.050 258 L CA -0.460 54.502 54.840 0.203 0.000 0.922 258 L CB -0.205 41.939 42.059 0.142 0.000 1.280 258 L HN 0.401 nan 8.230 nan 0.000 0.449 259 Y N 2.997 123.342 120.300 0.076 0.000 2.683 259 Y HA 0.437 4.990 4.550 0.005 0.000 0.340 259 Y C 1.383 177.322 175.900 0.065 0.000 1.245 259 Y CA 0.729 58.869 58.100 0.067 0.000 1.485 259 Y CB 0.453 38.949 38.460 0.061 0.000 1.328 259 Y HN 0.822 nan 8.280 nan 0.000 0.603 260 G N 2.895 111.796 108.800 0.169 0.000 3.421 260 G HA2 -0.135 3.828 3.960 0.005 0.000 0.686 260 G HA3 -0.135 3.828 3.960 0.005 0.000 0.686 260 G C -0.580 174.376 174.900 0.093 0.000 1.056 260 G CA -1.101 44.071 45.100 0.121 0.000 0.891 260 G HN 0.593 nan 8.290 nan 0.000 0.514 261 R N 1.300 121.840 120.500 0.068 0.000 2.580 261 R HA 0.315 4.658 4.340 0.005 0.000 0.267 261 R C 0.585 176.924 176.300 0.065 0.000 1.125 261 R CA -0.697 55.439 56.100 0.060 0.000 1.188 261 R CB 0.813 31.133 30.300 0.033 0.000 1.155 261 R HN 0.671 nan 8.270 nan 0.000 0.586 262 E N 0.483 120.722 120.200 0.065 0.000 2.603 262 E HA -0.053 4.300 4.350 0.005 0.000 0.242 262 E C 0.563 177.189 176.600 0.044 0.000 1.083 262 E CA 1.035 57.470 56.400 0.058 0.000 0.950 262 E CB 0.068 29.801 29.700 0.055 0.000 0.952 262 E HN 0.863 nan 8.360 nan 0.000 0.498 263 G N 2.927 111.753 108.800 0.043 0.000 2.195 263 G HA2 -0.317 3.646 3.960 0.005 0.000 0.224 263 G HA3 -0.317 3.646 3.960 0.005 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 0.038 0.000 0.639 263 G HN 0.682 nan 8.290 nan 0.000 0.514 264 S N 0.370 116.098 115.700 0.046 0.000 2.580 264 S HA 0.478 4.951 4.470 0.005 0.000 0.261 264 S C 0.785 175.414 174.600 0.048 0.000 1.366 264 S CA 0.725 58.955 58.200 0.049 0.000 0.996 264 S CB 1.152 64.389 63.200 0.061 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 0.048 0.000 2.400 265 S HA 0.556 5.029 4.470 0.005 0.000 0.295 265 S C 0.375 175.004 174.600 0.049 0.000 1.113 265 S CA -0.363 57.863 58.200 0.044 0.000 1.064 265 S CB -0.498 62.726 63.200 0.039 0.000 0.990 265 S HN 2.281 nan 8.310 nan 0.000 0.502 266 A N 2.831 125.678 122.820 0.046 0.000 2.089 266 A HA -0.142 4.181 4.320 0.005 0.000 0.260 266 A C 0.270 177.891 177.584 0.062 0.000 1.378 266 A CA -0.127 51.938 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 1.175 121.713 120.500 0.064 0.000 2.291 267 R HA 0.322 4.666 4.340 0.005 0.000 0.333 267 R C 0.682 177.031 176.300 0.082 0.000 1.082 267 R CA 0.791 56.941 56.100 0.084 0.000 0.948 267 R CB 0.632 30.975 30.300 0.072 0.000 1.009 267 R HN 0.767 nan 8.270 nan 0.000 0.460 268 T N 2.793 117.409 114.554 0.104 0.000 2.943 268 T HA 0.534 4.887 4.350 0.005 0.000 0.284 268 T C 0.049 174.827 174.700 0.131 0.000 1.015 268 T CA -0.644 61.507 62.100 0.085 0.000 1.042 268 T CB 0.812 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 3.431 124.066 120.570 0.109 0.000 2.389 269 I HA 0.463 4.636 4.170 0.005 0.000 0.288 269 I C 0.118 176.315 176.117 0.134 0.000 0.999 269 I CA -0.793 60.594 61.300 0.144 0.000 1.129 269 I CB 1.681 39.753 38.000 0.120 0.000 1.288 269 I HN 0.565 nan 8.210 nan 0.000 0.444 270 K N 4.306 124.815 120.400 0.182 0.000 2.352 270 K HA 0.922 5.245 4.320 0.005 0.000 0.240 270 K C -0.894 175.816 176.600 0.182 0.000 1.017 270 K CA -0.818 55.555 56.287 0.144 0.000 0.851 270 K CB 2.612 35.141 32.500 0.048 0.000 1.261 270 K HN 0.616 nan 8.250 nan 0.000 0.451 271 A N 0.353 123.263 122.820 0.149 0.000 2.435 271 A HA 0.740 5.063 4.320 0.005 0.000 0.296 271 A C -1.113 176.555 177.584 0.139 0.000 1.147 271 A CA -0.602 51.527 52.037 0.154 0.000 0.775 271 A CB 1.841 20.925 19.000 0.140 0.000 1.340 271 A HN 0.491 nan 8.150 nan 0.000 0.427 272 T N 1.433 116.076 114.554 0.148 0.000 2.847 272 T HA 0.539 4.892 4.350 0.005 0.000 0.291 272 T C -0.701 174.083 174.700 0.141 0.000 0.998 272 T CA -0.070 62.106 62.100 0.127 0.000 0.967 272 T CB 0.269 69.212 68.868 0.124 0.000 0.954 272 T HN 0.447 nan 8.240 nan 0.000 0.441 273 L N 5.440 126.726 121.223 0.104 0.000 2.344 273 L HA 0.568 4.912 4.340 0.005 0.000 0.272 273 L C -1.756 175.184 176.870 0.115 0.000 1.035 273 L CA -2.460 52.455 54.840 0.124 0.000 0.807 273 L CB 1.379 43.455 42.059 0.028 0.000 1.237 273 L HN 0.360 nan 8.230 nan 0.000 0.442 274 P HA -0.030 nan 4.420 nan 0.000 0.271 274 P C -0.462 176.989 177.300 0.252 0.000 1.233 274 P CA -0.011 63.200 63.100 0.184 0.000 0.789 274 P CB 0.262 32.139 31.700 0.294 0.000 0.951 275 Y N -2.717 117.574 120.300 -0.016 0.000 4.548 275 Y HA -0.220 4.333 4.550 0.005 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 -0.002 0.000 1.809 275 Y CB -2.296 36.149 38.460 -0.024 0.000 1.601 275 Y HN 0.249 nan 8.280 nan 0.000 0.605 276 I N 0.739 121.377 120.570 0.113 0.000 2.382 276 I HA 0.139 4.313 4.170 0.005 0.000 0.286 276 I C 0.686 176.832 176.117 0.049 0.000 1.002 276 I CA -0.905 60.436 61.300 0.067 0.000 1.135 276 I CB 1.456 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 5.986 126.416 120.400 0.050 0.000 2.914 277 K HA 0.072 4.396 4.320 0.005 0.000 0.246 277 K C -0.052 176.558 176.600 0.016 0.000 0.949 277 K CA 0.279 56.585 56.287 0.032 0.000 1.136 277 K CB -0.129 32.390 32.500 0.032 0.000 0.976 277 K HN 0.580 nan 8.250 nan 0.000 0.473 278 Q N -0.479 119.329 119.800 0.013 0.000 2.943 278 Q HA 0.112 4.455 4.340 0.005 0.000 0.305 278 Q C -1.866 174.150 176.000 0.027 0.000 0.873 278 Q CA -0.793 55.017 55.803 0.013 0.000 0.773 278 Q CB 1.779 30.500 28.738 -0.028 0.000 1.501 278 Q HN 0.086 nan 8.270 nan 0.000 0.442 279 D N 1.104 121.532 120.400 0.046 0.000 2.193 279 D HA 0.535 5.178 4.640 0.005 0.000 0.249 279 D C -0.745 175.589 176.300 0.056 0.000 1.034 279 D CA -0.007 54.035 54.000 0.071 0.000 0.902 279 D CB 1.169 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 3.101 123.719 120.570 0.079 0.000 2.439 280 I HA 0.166 4.339 4.170 0.005 0.000 0.283 280 I C -2.269 173.924 176.117 0.127 0.000 1.023 280 I CA -2.248 59.133 61.300 0.135 0.000 1.100 280 I CB 2.434 40.498 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 1.213 178.578 177.300 0.107 0.000 1.165 281 P CA 0.430 63.579 63.100 0.082 0.000 0.759 281 P CB 0.473 32.195 31.700 0.036 0.000 0.772 282 I N 2.030 122.678 120.570 0.131 0.000 2.113 282 I HA -0.314 3.860 4.170 0.005 0.000 0.242 282 I C 1.758 178.045 176.117 0.283 0.000 1.057 282 I CA 1.740 63.155 61.300 0.191 0.000 1.314 282 I CB -1.451 36.707 38.000 0.263 0.000 1.022 282 I HN 0.035 nan 8.210 nan 0.000 0.408 283 V N 2.027 122.088 119.914 0.246 0.000 2.250 283 V HA -0.325 3.798 4.120 0.005 0.000 0.250 283 V C 2.676 178.888 176.094 0.197 0.000 1.060 283 V CA 2.660 65.100 62.300 0.233 0.000 1.030 283 V CB -0.912 30.970 31.823 0.097 0.000 0.643 283 V HN 0.481 nan 8.190 nan 0.000 0.445 284 I N -0.210 120.423 120.570 0.105 0.000 2.113 284 I HA -0.322 3.851 4.170 0.005 0.000 0.242 284 I C 2.408 178.571 176.117 0.076 0.000 1.064 284 I CA 2.172 63.519 61.300 0.078 0.000 1.320 284 I CB -0.515 37.540 38.000 0.092 0.000 1.028 284 I HN 0.259 nan 8.210 nan 0.000 0.406 285 I N -0.086 120.509 120.570 0.041 0.000 2.264 285 I HA -0.319 3.854 4.170 0.005 0.000 0.248 285 I C 2.484 178.531 176.117 -0.117 0.000 1.111 285 I CA 1.696 62.936 61.300 -0.100 0.000 1.382 285 I CB -0.401 37.483 38.000 -0.193 0.000 1.060 285 I HN 0.087 nan 8.210 nan 0.000 0.418 286 F N 1.046 120.975 119.950 -0.035 0.000 2.051 286 F HA -0.212 4.318 4.527 0.005 0.000 0.296 286 F C 2.827 178.591 175.800 -0.060 0.000 1.122 286 F CA 1.578 59.548 58.000 -0.050 0.000 1.201 286 F CB -0.282 38.696 39.000 -0.037 0.000 0.978 286 F HN -0.159 nan 8.300 nan 0.000 0.472 287 R N -0.084 120.522 120.500 0.177 0.000 2.105 287 R HA -0.172 4.171 4.340 0.005 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 29.564 30.300 0.057 0.000 0.861 287 R HN 0.305 nan 8.270 nan 0.000 0.442 288 A N 0.848 123.681 122.820 0.021 0.000 1.978 288 A HA -0.125 4.199 4.320 0.005 0.000 0.220 288 A C 1.987 179.553 177.584 -0.031 0.000 1.170 288 A CA 1.170 53.201 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 -1.976 119.223 121.223 -0.039 0.000 2.554 289 L HA 0.191 4.534 4.340 0.005 0.000 0.226 289 L C 1.781 178.647 176.870 -0.008 0.000 1.137 289 L CA 0.642 55.458 54.840 -0.040 0.000 0.863 289 L CB 0.136 42.145 42.059 -0.083 0.000 0.985 289 L HN 0.608 nan 8.230 nan 0.000 0.451 290 G N -0.008 108.797 108.800 0.008 0.000 2.316 290 G HA2 -0.207 3.757 3.960 0.005 0.000 0.203 290 G HA3 -0.207 3.757 3.960 0.005 0.000 0.203 290 G C 0.281 175.190 174.900 0.015 0.000 0.999 290 G CA -0.495 44.610 45.100 0.009 0.000 0.649 290 G HN 0.148 nan 8.290 nan 0.000 0.489 291 I N 2.173 122.763 120.570 0.033 0.000 2.301 291 I HA 0.407 4.580 4.170 0.005 0.000 0.292 291 I C 1.397 177.537 176.117 0.039 0.000 1.046 291 I CA -0.376 60.939 61.300 0.025 0.000 1.282 291 I CB 0.877 38.875 38.000 -0.003 0.000 1.409 291 I HN 0.092 nan 8.210 nan 0.000 0.484 292 I N 6.508 127.088 120.570 0.016 0.000 2.899 292 I HA 0.108 4.282 4.170 0.005 0.000 0.257 292 I C -1.489 174.629 176.117 0.001 0.000 1.115 292 I CA -0.210 61.098 61.300 0.015 0.000 1.451 292 I CB -0.451 37.557 38.000 0.013 0.000 1.251 292 I HN 0.390 nan 8.210 nan 0.000 0.456 293 P HA -0.017 nan 4.420 nan 0.000 0.263 293 P C -1.031 176.247 177.300 -0.036 0.000 1.195 293 P CA 0.307 63.400 63.100 -0.012 0.000 0.762 293 P CB 0.199 31.891 31.700 -0.014 0.000 0.799 294 D N 2.354 122.740 120.400 -0.023 0.000 2.406 294 D HA 0.128 4.772 4.640 0.005 0.000 0.234 294 D C 1.809 178.071 176.300 -0.063 0.000 1.196 294 D CA 1.486 55.459 54.000 -0.044 0.000 0.881 294 D CB -0.174 40.609 40.800 -0.029 0.000 1.205 294 D HN 0.680 nan 8.370 nan 0.000 0.453 295 G N 1.311 110.063 108.800 -0.080 0.000 2.435 295 G HA2 -0.438 3.525 3.960 0.005 0.000 0.245 295 G HA3 -0.438 3.525 3.960 0.005 0.000 0.245 295 G C 1.017 175.867 174.900 -0.084 0.000 1.073 295 G CA 0.731 45.784 45.100 -0.078 0.000 0.638 295 G HN 0.589 nan 8.290 nan 0.000 0.521 296 E N 0.078 120.233 120.200 -0.075 0.000 2.299 296 E HA 0.255 4.608 4.350 0.005 0.000 0.193 296 E C 2.518 179.103 176.600 -0.026 0.000 0.998 296 E CA 0.527 56.900 56.400 -0.045 0.000 0.851 296 E CB -0.066 29.622 29.700 -0.020 0.000 0.795 296 E HN 0.675 nan 8.360 nan 0.000 0.492 297 I N 0.684 121.164 120.570 -0.151 0.000 2.339 297 I HA -0.199 3.974 4.170 0.005 0.000 0.245 297 I C 1.992 177.922 176.117 -0.311 0.000 1.096 297 I CA 0.568 61.621 61.300 -0.411 0.000 1.408 297 I CB -0.011 37.673 38.000 -0.526 0.000 1.092 297 I HN 0.181 nan 8.210 nan 0.000 0.423 298 L N 0.268 121.386 121.223 -0.174 0.000 2.353 298 L HA -0.173 4.170 4.340 0.005 0.000 0.220 298 L C 2.261 179.107 176.870 -0.041 0.000 1.133 298 L CA 1.165 55.945 54.840 -0.101 0.000 0.798 298 L CB -0.801 41.216 42.059 -0.070 0.000 0.922 298 L HN 0.353 nan 8.230 nan 0.000 0.445 299 E N -0.367 119.819 120.200 -0.024 0.000 2.047 299 E HA -0.181 4.173 4.350 0.005 0.000 0.191 299 E C 2.028 178.724 176.600 0.161 0.000 0.987 299 E CA 0.862 57.281 56.400 0.031 0.000 0.799 299 E CB -0.062 29.610 29.700 -0.046 0.000 0.752 299 E HN 0.606 nan 8.360 nan 0.000 0.449 300 H N -0.027 119.130 119.070 0.144 0.000 2.518 300 H HA -0.038 4.521 4.556 0.005 0.000 0.289 300 H C 1.950 177.525 175.328 0.413 0.000 1.051 300 H CA 0.788 57.074 56.048 0.396 0.000 1.280 300 H CB 0.314 30.178 29.762 0.169 0.000 1.380 300 H HN 0.209 nan 8.280 nan 0.000 0.566 301 I N -0.396 120.289 120.570 0.191 0.000 3.313 301 I HA -0.076 4.097 4.170 0.005 0.000 0.233 301 I C 1.232 177.118 176.117 -0.384 0.000 1.050 301 I CA 0.024 61.323 61.300 -0.002 0.000 1.499 301 I CB 0.076 38.084 38.000 0.013 0.000 1.373 301 I HN 0.083 nan 8.210 nan 0.000 0.458 302 C N 1.824 120.979 119.300 -0.242 0.000 2.585 302 C HA 0.159 4.622 4.460 0.005 0.000 0.406 302 C C 0.228 175.109 174.990 -0.181 0.000 1.312 302 C CA -0.310 58.556 59.018 -0.253 0.000 1.924 302 C CB -1.168 26.513 27.740 -0.099 0.000 2.578 302 C HN 0.393 nan 8.230 nan 0.000 0.580 303 Y N 4.489 124.862 120.300 0.122 0.000 2.783 303 Y HA 0.394 4.947 4.550 0.005 0.000 0.382 303 Y C 0.412 176.370 175.900 0.098 0.000 1.076 303 Y CA -0.489 57.694 58.100 0.138 0.000 1.530 303 Y CB -0.008 38.565 38.460 0.190 0.000 1.546 303 Y HN 0.771 nan 8.280 nan 0.000 0.537 304 D N -0.723 119.788 120.400 0.184 0.000 2.575 304 D HA 0.014 4.657 4.640 0.005 0.000 0.214 304 D C -0.269 176.085 176.300 0.090 0.000 1.100 304 D CA -0.278 53.800 54.000 0.129 0.000 0.790 304 D CB 1.289 42.151 40.800 0.104 0.000 2.767 304 D HN 0.010 nan 8.370 nan 0.000 0.474 305 V N 2.845 122.811 119.914 0.086 0.000 3.541 305 V HA 0.077 4.200 4.120 0.005 0.000 0.267 305 V C 1.501 177.646 176.094 0.086 0.000 1.213 305 V CA 0.521 62.862 62.300 0.067 0.000 1.149 305 V CB -0.427 31.425 31.823 0.050 0.000 0.822 305 V HN 0.506 nan 8.190 nan 0.000 0.462 306 N N 0.583 119.340 118.700 0.095 0.000 2.314 306 N HA 0.013 4.757 4.740 0.005 0.000 0.200 306 N C 0.511 176.106 175.510 0.142 0.000 1.135 306 N CA 0.257 53.383 53.050 0.127 0.000 0.835 306 N CB 0.272 38.822 38.487 0.106 0.000 0.989 306 N HN 0.380 nan 8.380 nan 0.000 0.478 307 D N 1.193 121.640 120.400 0.078 0.000 3.179 307 D HA -0.000 4.643 4.640 0.005 0.000 0.267 307 D C 1.605 177.860 176.300 -0.075 0.000 1.348 307 D CA -0.750 53.225 54.000 -0.041 0.000 0.897 307 D CB -0.235 40.529 40.800 -0.061 0.000 1.062 307 D HN 0.227 nan 8.370 nan 0.000 0.494 308 W N 0.886 122.184 121.300 -0.004 0.000 2.290 308 W HA -0.285 4.378 4.660 0.005 0.000 0.311 308 W C 1.251 177.762 176.519 -0.013 0.000 1.238 308 W CA 0.531 57.870 57.345 -0.010 0.000 1.255 308 W CB -0.976 28.479 29.460 -0.009 0.000 1.145 308 W HN 0.194 nan 8.180 nan 0.000 0.506 309 Q N 0.524 119.652 119.800 -1.119 0.000 2.082 309 Q HA -0.304 4.039 4.340 0.005 0.000 0.211 309 Q C 2.438 178.203 176.000 -0.392 0.000 1.002 309 Q CA 3.018 58.197 55.803 -1.041 0.000 0.868 309 Q CB -0.643 27.455 28.738 -1.067 0.000 0.931 309 Q HN 0.508 nan 8.270 nan 0.000 0.414 310 M N 0.096 119.524 119.600 -0.286 0.000 2.081 310 M HA -0.165 4.318 4.480 0.005 0.000 0.261 310 M C 2.202 178.451 176.300 -0.086 0.000 1.075 310 M CA 1.140 56.343 55.300 -0.162 0.000 1.133 310 M CB -0.110 32.404 32.600 -0.142 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 4.020 4.340 0.005 0.000 0.220 311 L C 2.430 179.313 176.870 0.022 0.000 1.081 311 L CA 2.061 56.901 54.840 0.000 0.000 0.780 311 L CB -0.907 41.178 42.059 0.044 0.000 0.893 311 L HN 0.422 nan 8.230 nan 0.000 0.438 312 E N 0.202 120.437 120.200 0.060 0.000 2.033 312 E HA -0.283 4.070 4.350 0.005 0.000 0.199 312 E C 2.215 178.834 176.600 0.032 0.000 1.011 312 E CA 1.843 58.291 56.400 0.082 0.000 0.815 312 E CB -0.266 29.530 29.700 0.160 0.000 0.755 312 E HN 0.252 nan 8.360 nan 0.000 0.451 313 M N -0.280 119.320 119.600 -0.000 0.000 2.192 313 M HA -0.231 4.253 4.480 0.005 0.000 0.256 313 M C 2.234 178.535 176.300 0.001 0.000 1.076 313 M CA 1.406 56.700 55.300 -0.009 0.000 1.075 313 M CB -0.492 32.082 32.600 -0.044 0.000 1.368 313 M HN 0.259 nan 8.290 nan 0.000 0.406 314 L N -1.028 120.193 121.223 -0.003 0.000 2.313 314 L HA -0.142 4.201 4.340 0.005 0.000 0.214 314 L C 2.337 179.211 176.870 0.006 0.000 1.119 314 L CA 0.429 55.271 54.840 0.003 0.000 0.809 314 L CB -0.460 41.594 42.059 -0.009 0.000 0.933 314 L HN 0.270 nan 8.230 nan 0.000 0.449 315 K N 0.839 121.243 120.400 0.006 0.000 2.013 315 K HA -0.222 4.101 4.320 0.005 0.000 0.225 315 K C -0.521 176.080 176.600 0.002 0.000 1.056 315 K CA 2.256 58.543 56.287 -0.000 0.000 0.971 315 K CB -1.454 31.049 32.500 0.005 0.000 0.731 315 K HN 0.246 nan 8.250 nan 0.000 0.450 316 P HA -0.172 nan 4.420 nan 0.000 0.227 316 P C 1.015 178.328 177.300 0.021 0.000 1.145 316 P CA 1.262 64.372 63.100 0.016 0.000 0.769 316 P CB -0.127 31.588 31.700 0.025 0.000 0.769 317 C N -0.908 118.406 119.300 0.023 0.000 2.492 317 C HA -0.018 4.445 4.460 0.005 0.000 0.279 317 C C 2.880 177.888 174.990 0.029 0.000 1.335 317 C CA 0.349 59.386 59.018 0.033 0.000 1.734 317 C CB -1.265 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 0.946 120.871 119.914 0.017 0.000 2.515 318 V HA -0.140 3.983 4.120 0.005 0.000 0.250 318 V C 2.409 178.532 176.094 0.048 0.000 1.058 318 V CA 1.624 63.937 62.300 0.021 0.000 1.064 318 V CB -0.682 31.134 31.823 -0.012 0.000 0.675 318 V HN 0.506 nan 8.190 nan 0.000 0.461 319 E N 0.405 120.623 120.200 0.029 0.000 2.007 319 E HA -0.284 4.070 4.350 0.005 0.000 0.203 319 E C 2.006 178.648 176.600 0.069 0.000 1.020 319 E CA 1.797 58.229 56.400 0.052 0.000 0.845 319 E CB -0.770 28.947 29.700 0.027 0.000 0.779 319 E HN 0.512 nan 8.360 nan 0.000 0.466 320 D N -0.274 120.140 120.400 0.024 0.000 2.242 320 D HA -0.181 4.462 4.640 0.005 0.000 0.190 320 D C 1.724 177.995 176.300 -0.049 0.000 1.012 320 D CA 1.941 55.931 54.000 -0.017 0.000 0.875 320 D CB -0.578 40.209 40.800 -0.022 0.000 0.922 320 D HN 0.365 nan 8.370 nan 0.000 0.448 321 G N -1.541 107.253 108.800 -0.011 0.000 3.088 321 G HA2 -0.105 3.858 3.960 0.005 0.000 0.217 321 G HA3 -0.105 3.858 3.960 0.005 0.000 0.217 321 G C 0.914 175.826 174.900 0.019 0.000 1.159 321 G CA -0.330 44.748 45.100 -0.037 0.000 0.760 321 G HN 0.234 nan 8.290 nan 0.000 0.550 322 F N 1.516 121.423 119.950 -0.071 0.000 2.664 322 F HA 0.067 4.597 4.527 0.005 0.000 0.297 322 F C 1.626 177.388 175.800 -0.063 0.000 1.164 322 F CA 0.262 58.228 58.000 -0.056 0.000 1.472 322 F CB 0.335 39.309 39.000 -0.044 0.000 1.108 322 F HN 0.014 nan 8.300 nan 0.000 0.596 323 V N 0.338 120.097 119.914 -0.259 0.000 3.307 323 V HA 0.085 4.208 4.120 0.005 0.000 0.253 323 V C 0.959 176.896 176.094 -0.261 0.000 1.149 323 V CA 0.395 62.498 62.300 -0.329 0.000 1.112 323 V CB -0.043 31.640 31.823 -0.233 0.000 0.777 323 V HN 0.004 nan 8.190 nan 0.000 0.464 324 I N 0.620 121.069 120.570 -0.202 0.000 2.354 324 I HA 0.370 4.543 4.170 0.005 0.000 0.292 324 I C 0.407 176.466 176.117 -0.096 0.000 0.989 324 I CA -0.043 61.172 61.300 -0.141 0.000 1.188 324 I CB 1.760 39.681 38.000 -0.131 0.000 1.342 324 I HN 0.055 nan 8.210 nan 0.000 0.457 325 Q N 4.321 124.073 119.800 -0.080 0.000 2.118 325 Q HA 0.145 4.488 4.340 0.005 0.000 0.219 325 Q C -1.182 174.805 176.000 -0.022 0.000 0.794 325 Q CA -0.113 55.662 55.803 -0.047 0.000 1.035 325 Q CB 0.589 29.288 28.738 -0.065 0.000 1.177 325 Q HN 0.741 nan 8.270 nan 0.000 0.478 326 D N -2.274 118.116 120.400 -0.017 0.000 2.753 326 D HA 0.132 4.775 4.640 0.005 0.000 0.224 326 D C 0.081 176.384 176.300 0.005 0.000 1.213 326 D CA -0.645 53.352 54.000 -0.005 0.000 0.833 326 D CB 0.883 41.678 40.800 -0.008 0.000 1.607 326 D HN 0.009 nan 8.370 nan 0.000 0.463 327 R N 0.960 121.465 120.500 0.008 0.000 2.133 327 R HA -0.216 4.127 4.340 0.005 0.000 0.247 327 R C 1.366 177.673 176.300 0.013 0.000 1.151 327 R CA 1.976 58.083 56.100 0.011 0.000 0.971 327 R CB 0.103 30.408 30.300 0.008 0.000 0.866 327 R HN 0.570 nan 8.270 nan 0.000 0.447 328 E N -0.937 119.270 120.200 0.011 0.000 2.017 328 E HA -0.148 4.205 4.350 0.005 0.000 0.193 328 E C 1.959 178.574 176.600 0.025 0.000 0.997 328 E CA 1.964 58.373 56.400 0.015 0.000 0.804 328 E CB -0.129 29.578 29.700 0.011 0.000 0.757 328 E HN 0.412 nan 8.360 nan 0.000 0.448 329 T N 1.393 115.960 114.554 0.022 0.000 2.720 329 T HA -0.201 4.152 4.350 0.005 0.000 0.268 329 T C 2.019 176.761 174.700 0.070 0.000 1.037 329 T CA 1.324 63.445 62.100 0.036 0.000 1.144 329 T CB -0.355 68.519 68.868 0.009 0.000 0.864 329 T HN 0.254 nan 8.240 nan 0.000 0.444 330 A N 1.667 124.518 122.820 0.052 0.000 1.851 330 A HA -0.070 4.253 4.320 0.005 0.000 0.216 330 A C 2.187 179.820 177.584 0.081 0.000 1.195 330 A CA 1.400 53.483 52.037 0.076 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 0.011 121.258 121.223 0.040 0.000 2.263 331 L HA -0.179 4.164 4.340 0.005 0.000 0.216 331 L C 1.902 178.795 176.870 0.039 0.000 1.111 331 L CA 2.326 57.179 54.840 0.022 0.000 0.773 331 L CB -0.927 41.140 42.059 0.013 0.000 0.906 331 L HN 0.611 nan 8.230 nan 0.000 0.439 332 D N -1.796 118.644 120.400 0.066 0.000 2.201 332 D HA -0.203 4.440 4.640 0.005 0.000 0.209 332 D C 1.977 178.338 176.300 0.101 0.000 0.961 332 D CA 0.269 54.312 54.000 0.072 0.000 0.861 332 D CB -0.092 40.749 40.800 0.068 0.000 0.997 332 D HN 0.176 nan 8.370 nan 0.000 0.486 333 F N 1.151 121.097 119.950 -0.006 0.000 2.481 333 F HA 0.024 4.554 4.527 0.005 0.000 0.297 333 F C 0.423 176.223 175.800 0.001 0.000 1.095 333 F CA 0.746 58.743 58.000 -0.006 0.000 1.465 333 F CB -0.223 38.769 39.000 -0.013 0.000 1.098 333 F HN -0.003 nan 8.300 nan 0.000 0.585 334 I N 1.028 121.531 120.570 -0.112 0.000 2.234 334 I HA 0.359 4.532 4.170 0.005 0.000 0.287 334 I C 0.686 176.757 176.117 -0.077 0.000 1.131 334 I CA -0.044 61.159 61.300 -0.162 0.000 1.335 334 I CB -0.710 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 0.976 121.183 120.200 0.011 0.000 4.000 346 E HA -0.441 3.912 4.350 0.005 0.000 0.226 346 E C 1.210 177.819 176.600 0.015 0.000 1.270 346 E CA 2.564 58.971 56.400 0.012 0.000 2.118 346 E CB -1.004 28.699 29.700 0.006 0.000 1.850 346 E HN 0.454 nan 8.360 nan 0.000 0.280 347 K N 0.775 121.177 120.400 0.003 0.000 2.030 347 K HA -0.322 4.001 4.320 0.005 0.000 0.222 347 K C 2.221 178.832 176.600 0.019 0.000 1.056 347 K CA 2.616 58.901 56.287 -0.004 0.000 0.957 347 K CB -0.521 31.959 32.500 -0.034 0.000 0.727 347 K HN 0.362 nan 8.250 nan 0.000 0.452 348 R N 1.097 121.607 120.500 0.018 0.000 2.097 348 R HA -0.155 4.189 4.340 0.005 0.000 0.236 348 R C 2.429 178.796 176.300 0.111 0.000 1.135 348 R CA 2.028 58.170 56.100 0.071 0.000 0.934 348 R CB -1.176 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 1.251 121.858 120.570 0.063 0.000 2.143 349 I HA -0.352 3.821 4.170 0.005 0.000 0.245 349 I C 2.906 179.057 176.117 0.057 0.000 1.068 349 I CA 1.867 63.197 61.300 0.051 0.000 1.326 349 I CB -0.369 37.651 38.000 0.033 0.000 1.028 349 I HN 0.291 nan 8.210 nan 0.000 0.412 350 Q N 0.202 120.041 119.800 0.065 0.000 2.050 350 Q HA -0.268 4.075 4.340 0.005 0.000 0.202 350 Q C 2.080 178.140 176.000 0.101 0.000 0.980 350 Q CA 1.822 57.664 55.803 0.064 0.000 0.840 350 Q CB -0.633 28.139 28.738 0.057 0.000 0.898 350 Q HN 0.514 nan 8.270 nan 0.000 0.424 351 Y N 0.288 120.572 120.300 -0.025 0.000 2.102 351 Y HA -0.307 4.246 4.550 0.005 0.000 0.280 351 Y C 1.968 177.846 175.900 -0.037 0.000 1.178 351 Y CA 1.733 59.811 58.100 -0.036 0.000 1.146 351 Y CB -0.983 37.458 38.460 -0.031 0.000 0.968 351 Y HN 0.195 nan 8.280 nan 0.000 0.504 352 A N 0.278 123.116 122.820 0.030 0.000 1.834 352 A HA -0.239 4.084 4.320 0.005 0.000 0.216 352 A C 2.309 179.848 177.584 -0.075 0.000 1.203 352 A CA 2.201 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 -0.488 119.897 120.400 -0.026 0.000 2.077 353 K HA -0.233 4.090 4.320 0.005 0.000 0.213 353 K C 1.749 178.336 176.600 -0.022 0.000 1.051 353 K CA 1.802 58.078 56.287 -0.018 0.000 0.929 353 K CB -0.408 32.096 32.500 0.005 0.000 0.715 353 K HN 0.523 nan 8.250 nan 0.000 0.451 354 D N 0.718 121.101 120.400 -0.029 0.000 2.117 354 D HA -0.123 4.520 4.640 0.005 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 -0.037 0.000 0.829 354 D CB -0.085 40.695 40.800 -0.034 0.000 0.961 354 D HN 0.194 nan 8.370 nan 0.000 0.460 355 I N 1.093 121.578 120.570 -0.143 0.000 2.163 355 I HA -0.263 3.910 4.170 0.005 0.000 0.243 355 I C 2.171 178.285 176.117 -0.004 0.000 1.085 355 I CA 0.899 62.114 61.300 -0.142 0.000 1.347 355 I CB -0.192 37.662 38.000 -0.244 0.000 1.044 355 I HN -0.006 nan 8.210 nan 0.000 0.408 356 L N -0.166 121.039 121.223 -0.030 0.000 2.622 356 L HA -0.098 4.245 4.340 0.005 0.000 0.233 356 L C 2.153 179.113 176.870 0.151 0.000 1.156 356 L CA 0.521 55.386 54.840 0.041 0.000 0.866 356 L CB -0.480 41.519 42.059 -0.100 0.000 0.980 356 L HN 0.391 nan 8.230 nan 0.000 0.448 357 Q N -0.069 119.781 119.800 0.083 0.000 2.389 357 Q HA 0.043 4.386 4.340 0.005 0.000 0.201 357 Q C 1.439 177.474 176.000 0.059 0.000 0.956 357 Q CA 0.538 56.383 55.803 0.070 0.000 0.871 357 Q CB 0.473 29.234 28.738 0.038 0.000 0.990 357 Q HN 0.352 nan 8.270 nan 0.000 0.554 358 K N -0.285 120.145 120.400 0.049 0.000 2.374 358 K HA 0.105 4.428 4.320 0.005 0.000 0.202 358 K C 0.695 177.360 176.600 0.109 0.000 1.040 358 K CA 0.204 56.528 56.287 0.060 0.000 1.085 358 K CB 0.923 33.455 32.500 0.053 0.000 0.873 358 K HN 0.017 nan 8.250 nan 0.000 0.539 359 E N -0.149 120.113 120.200 0.103 0.000 2.485 359 E HA 0.073 4.426 4.350 0.005 0.000 0.213 359 E C -0.470 176.250 176.600 0.199 0.000 0.923 359 E CA -0.054 56.433 56.400 0.144 0.000 1.054 359 E CB 0.443 30.177 29.700 0.058 0.000 1.077 359 E HN 0.090 nan 8.360 nan 0.000 0.509 360 F N 1.814 121.784 119.950 0.032 0.000 2.388 360 F HA 0.357 4.887 4.527 0.005 0.000 0.358 360 F C 0.291 176.104 175.800 0.022 0.000 1.122 360 F CA -1.039 56.981 58.000 0.033 0.000 1.056 360 F CB 0.600 39.603 39.000 0.006 0.000 1.155 360 F HN -0.164 nan 8.300 nan 0.000 0.461 361 L N 7.630 128.511 121.223 -0.570 0.000 3.608 361 L HA -0.209 4.134 4.340 0.005 0.000 0.422 361 L C -1.602 175.090 176.870 -0.297 0.000 1.260 361 L CA 0.295 54.785 54.840 -0.583 0.000 0.889 361 L CB -1.361 40.061 42.059 -1.062 0.000 1.821 361 L HN 0.577 nan 8.230 nan 0.000 0.884 362 P HA -0.215 nan 4.420 nan 0.000 0.216 362 P C 0.856 178.124 177.300 -0.053 0.000 1.157 362 P CA 1.938 65.026 63.100 -0.020 0.000 0.880 362 P CB -0.427 31.327 31.700 0.091 0.000 0.791 363 H N -0.391 118.600 119.070 -0.131 0.000 2.801 363 H HA 0.116 4.675 4.556 0.005 0.000 0.377 363 H C 1.496 176.705 175.328 -0.198 0.000 1.304 363 H CA 0.365 56.334 56.048 -0.132 0.000 1.451 363 H CB 0.442 30.144 29.762 -0.099 0.000 1.474 363 H HN 0.102 nan 8.280 nan 0.000 0.620 364 I N -1.713 118.632 120.570 -0.375 0.000 4.811 364 I HA -0.308 3.865 4.170 0.005 0.000 0.040 364 I C -0.172 175.747 176.117 -0.330 0.000 0.634 364 I CA 1.375 62.406 61.300 -0.449 0.000 0.558 364 I CB -1.305 36.357 38.000 -0.563 0.000 0.550 364 I HN 0.829 nan 8.210 nan 0.000 0.153 365 T N 0.080 114.449 114.554 -0.308 0.000 2.927 365 T HA 0.277 4.630 4.350 0.005 0.000 0.350 365 T C -0.741 173.833 174.700 -0.209 0.000 1.746 365 T CA -0.523 61.383 62.100 -0.325 0.000 1.081 365 T CB 2.101 70.601 68.868 -0.613 0.000 1.551 365 T HN 0.369 nan 8.240 nan 0.000 0.489 366 Q N 0.848 120.544 119.800 -0.173 0.000 2.214 366 Q HA 0.325 4.668 4.340 0.005 0.000 0.229 366 Q C 1.199 177.160 176.000 -0.066 0.000 0.835 366 Q CA -0.130 55.620 55.803 -0.087 0.000 0.953 366 Q CB 0.616 29.313 28.738 -0.069 0.000 1.131 366 Q HN 0.547 nan 8.270 nan 0.000 0.501 367 L N 0.637 121.792 121.223 -0.114 0.000 2.164 367 L HA -0.165 4.179 4.340 0.005 0.000 0.173 367 L C 1.602 178.494 176.870 0.036 0.000 0.835 367 L CA 1.261 56.071 54.840 -0.050 0.000 1.866 367 L CB -0.124 41.880 42.059 -0.093 0.000 1.765 367 L HN 0.147 nan 8.230 nan 0.000 0.580 368 E N -0.751 119.519 120.200 0.118 0.000 2.941 368 E HA 0.096 4.449 4.350 0.005 0.000 0.180 368 E C 1.100 177.818 176.600 0.197 0.000 1.130 368 E CA 0.376 56.854 56.400 0.129 0.000 1.243 368 E CB -0.002 29.754 29.700 0.093 0.000 1.582 368 E HN 0.607 nan 8.360 nan 0.000 0.499 369 G N 0.987 109.933 108.800 0.243 0.000 3.197 369 G HA2 0.175 4.138 3.960 0.005 0.000 0.257 369 G HA3 0.175 4.138 3.960 0.005 0.000 0.257 369 G C -0.640 174.273 174.900 0.021 0.000 0.835 369 G CA 0.144 45.319 45.100 0.126 0.000 2.001 369 G HN 0.033 nan 8.290 nan 0.000 0.625 370 F N -0.435 119.515 119.950 0.001 0.000 2.541 370 F HA 0.298 4.828 4.527 0.005 0.000 0.368 370 F C 0.905 176.710 175.800 0.009 0.000 1.530 370 F CA -0.815 57.183 58.000 -0.004 0.000 1.102 370 F CB 1.091 40.075 39.000 -0.027 0.000 1.382 370 F HN 0.169 nan 8.300 nan 0.000 0.541 371 E N -0.345 119.917 120.200 0.104 0.000 2.285 371 E HA -0.094 4.259 4.350 0.005 0.000 0.194 371 E C 2.268 178.902 176.600 0.056 0.000 0.997 371 E CA 1.174 57.621 56.400 0.079 0.000 0.845 371 E CB 0.107 29.830 29.700 0.038 0.000 0.782 371 E HN 0.371 nan 8.360 nan 0.000 0.491 372 S N 0.387 116.115 115.700 0.047 0.000 2.388 372 S HA -0.042 4.431 4.470 0.005 0.000 0.223 372 S C 1.930 176.635 174.600 0.175 0.000 1.034 372 S CA 0.188 58.420 58.200 0.054 0.000 0.963 372 S CB -0.063 63.183 63.200 0.078 0.000 0.827 372 S HN 0.071 nan 8.310 nan 0.000 0.481 373 R N 1.647 122.250 120.500 0.172 0.000 2.096 373 R HA -0.055 4.288 4.340 0.005 0.000 0.240 373 R C 2.493 178.923 176.300 0.216 0.000 1.139 373 R CA 1.769 57.972 56.100 0.172 0.000 0.952 373 R CB -0.395 29.990 30.300 0.141 0.000 0.854 373 R HN 0.522 nan 8.270 nan 0.000 0.436 374 K N 0.170 120.674 120.400 0.173 0.000 2.062 374 K HA -0.009 4.314 4.320 0.005 0.000 0.205 374 K C 2.239 179.005 176.600 0.276 0.000 1.051 374 K CA 1.076 57.475 56.287 0.187 0.000 0.941 374 K CB -0.131 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 1.190 124.104 122.820 0.157 0.000 1.908 375 A HA -0.165 4.158 4.320 0.005 0.000 0.218 375 A C 1.999 179.721 177.584 0.229 0.000 1.181 375 A CA 1.270 53.309 52.037 0.002 0.000 0.627 375 A CB -0.857 18.053 19.000 -0.150 0.000 0.818 375 A HN 0.231 nan 8.150 nan 0.000 0.445 376 F N -1.852 118.302 119.950 0.340 0.000 2.095 376 F HA -0.190 4.340 4.527 0.005 0.000 0.298 376 F C 2.123 178.392 175.800 0.782 0.000 1.104 376 F CA 1.603 59.943 58.000 0.567 0.000 1.232 376 F CB -0.286 38.829 39.000 0.191 0.000 0.987 376 F HN 0.335 nan 8.300 nan 0.000 0.475 377 F N 0.199 120.596 119.950 0.744 0.000 2.075 377 F HA -0.254 4.277 4.527 0.005 0.000 0.297 377 F C 2.217 178.344 175.800 0.545 0.000 1.113 377 F CA 1.309 59.730 58.000 0.702 0.000 1.218 377 F CB -0.644 38.611 39.000 0.424 0.000 0.984 377 F HN -0.118 nan 8.300 nan 0.000 0.472 378 L N 0.539 122.128 121.223 0.610 0.000 2.263 378 L HA -0.092 4.252 4.340 0.005 0.000 0.216 378 L C 2.131 179.232 176.870 0.385 0.000 1.111 378 L CA 2.041 57.117 54.840 0.393 0.000 0.773 378 L CB -1.436 40.726 42.059 0.172 0.000 0.906 378 L HN 0.201 nan 8.230 nan 0.000 0.439 379 G N -1.657 107.488 108.800 0.574 0.000 2.424 379 G HA2 -0.334 3.629 3.960 0.005 0.000 0.214 379 G HA3 -0.334 3.629 3.960 0.005 0.000 0.214 379 G C 1.489 176.667 174.900 0.463 0.000 1.202 379 G CA 0.666 46.158 45.100 0.654 0.000 0.793 379 G HN 0.497 nan 8.290 nan 0.000 0.534 380 Y N 0.788 121.334 120.300 0.409 0.000 2.193 380 Y HA -0.137 4.416 4.550 0.005 0.000 0.285 380 Y C 2.734 178.622 175.900 -0.019 0.000 1.166 380 Y CA 2.104 60.286 58.100 0.137 0.000 1.181 380 Y CB -0.167 38.215 38.460 -0.131 0.000 0.976 380 Y HN 0.197 nan 8.280 nan 0.000 0.520 381 M N -0.859 118.728 119.600 -0.021 0.000 2.296 381 M HA -0.145 4.338 4.480 0.005 0.000 0.265 381 M C 1.569 177.830 176.300 -0.065 0.000 1.064 381 M CA 1.523 56.767 55.300 -0.093 0.000 1.109 381 M CB -0.125 32.538 32.600 0.106 0.000 1.396 381 M HN 0.348 nan 8.290 nan 0.000 0.430 382 I N -1.015 119.569 120.570 0.023 0.000 3.030 382 I HA -0.149 4.024 4.170 0.005 0.000 0.270 382 I C 1.822 177.901 176.117 -0.064 0.000 1.211 382 I CA 0.470 61.785 61.300 0.025 0.000 1.479 382 I CB -0.470 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 1.207 119.833 118.700 -0.123 0.000 2.109 383 N HA -0.141 4.602 4.740 0.005 0.000 0.188 383 N C 2.039 177.410 175.510 -0.232 0.000 1.034 383 N CA 1.190 54.125 53.050 -0.192 0.000 0.846 383 N CB 0.161 38.509 38.487 -0.232 0.000 1.010 383 N HN -0.024 nan 8.380 nan 0.000 0.425 384 R N 0.469 120.756 120.500 -0.356 0.000 2.120 384 R HA -0.066 4.277 4.340 0.005 0.000 0.234 384 R C 2.085 178.256 176.300 -0.215 0.000 1.123 384 R CA 0.498 56.396 56.100 -0.336 0.000 0.975 384 R CB -1.498 28.510 30.300 -0.487 0.000 0.866 384 R HN 0.358 nan 8.270 nan 0.000 0.446 385 L N 0.906 122.023 121.223 -0.176 0.000 1.989 385 L HA -0.115 4.228 4.340 0.005 0.000 0.211 385 L C 2.151 178.930 176.870 -0.152 0.000 1.071 385 L CA 1.662 56.431 54.840 -0.118 0.000 0.749 385 L CB -0.446 41.579 42.059 -0.056 0.000 0.890 385 L HN 0.063 nan 8.230 nan 0.000 0.431 386 L N -1.559 119.576 121.223 -0.146 0.000 2.093 386 L HA -0.200 4.143 4.340 0.005 0.000 0.208 386 L C 2.524 179.288 176.870 -0.176 0.000 1.085 386 L CA 0.531 55.271 54.840 -0.166 0.000 0.755 386 L CB -0.682 41.300 42.059 -0.128 0.000 0.904 386 L HN 0.291 nan 8.230 nan 0.000 0.435 387 L N -0.137 120.994 121.223 -0.153 0.000 2.043 387 L HA -0.308 4.035 4.340 0.005 0.000 0.212 387 L C 2.743 179.539 176.870 -0.123 0.000 1.075 387 L CA 1.731 56.494 54.840 -0.128 0.000 0.752 387 L CB -1.056 40.934 42.059 -0.115 0.000 0.891 387 L HN 0.411 nan 8.230 nan 0.000 0.432 388 C N -1.200 118.020 119.300 -0.132 0.000 2.446 388 C HA 0.047 4.510 4.460 0.005 0.000 0.279 388 C C 2.760 177.636 174.990 -0.189 0.000 1.366 388 C CA 0.551 59.514 59.018 -0.092 0.000 1.763 388 C CB -1.109 26.614 27.740 -0.028 0.000 1.929 388 C HN 0.529 nan 8.230 nan 0.000 0.509 389 A N -0.620 121.937 122.820 -0.438 0.000 2.178 389 A HA 0.304 4.627 4.320 0.005 0.000 0.211 389 A C 1.705 179.139 177.584 -0.251 0.000 1.157 389 A CA 0.622 52.234 52.037 -0.709 0.000 0.780 389 A CB -0.303 18.232 19.000 -0.775 0.000 0.828 389 A HN 0.619 nan 8.150 nan 0.000 0.476 390 L N -0.793 120.326 121.223 -0.174 0.000 2.667 390 L HA 0.149 4.492 4.340 0.005 0.000 0.232 390 L C -0.390 176.436 176.870 -0.072 0.000 1.138 390 L CA -0.104 54.666 54.840 -0.116 0.000 0.921 390 L CB 0.006 41.983 42.059 -0.137 0.000 1.180 390 L HN 0.200 nan 8.230 nan 0.000 0.487 391 D N 0.143 120.516 120.400 -0.046 0.000 2.837 391 D HA -0.221 4.422 4.640 0.005 0.000 0.230 391 D C 1.250 177.534 176.300 -0.027 0.000 1.152 391 D CA 0.726 54.718 54.000 -0.013 0.000 0.736 391 D CB -0.653 40.147 40.800 0.000 0.000 1.084 391 D HN 0.316 nan 8.370 nan 0.000 0.429 392 R N -0.423 120.050 120.500 -0.045 0.000 2.237 392 R HA 0.189 4.532 4.340 0.005 0.000 0.195 392 R C 0.422 176.704 176.300 -0.030 0.000 0.956 392 R CA 0.452 56.526 56.100 -0.044 0.000 1.029 392 R CB 0.622 30.884 30.300 -0.064 0.000 0.972 392 R HN 0.059 nan 8.270 nan 0.000 0.493 393 K N 0.649 121.033 120.400 -0.028 0.000 2.525 393 K HA 0.181 4.504 4.320 0.005 0.000 0.254 393 K C -1.347 175.256 176.600 0.004 0.000 0.934 393 K CA -0.684 55.594 56.287 -0.016 0.000 0.802 393 K CB 2.433 34.913 32.500 -0.033 0.000 1.295 393 K HN -0.101 nan 8.250 nan 0.000 0.433 394 D N 1.687 122.098 120.400 0.019 0.000 2.335 394 D HA -0.075 4.568 4.640 0.005 0.000 0.236 394 D C 0.204 176.536 176.300 0.054 0.000 1.297 394 D CA 0.457 54.482 54.000 0.041 0.000 0.906 394 D CB 0.728 41.555 40.800 0.045 0.000 1.164 394 D HN 0.384 nan 8.370 nan 0.000 0.469 395 Q N 0.110 119.963 119.800 0.087 0.000 2.382 395 Q HA 0.028 4.371 4.340 0.005 0.000 0.229 395 Q C -0.611 175.468 176.000 0.130 0.000 1.006 395 Q CA -0.320 55.561 55.803 0.131 0.000 0.916 395 Q CB 0.762 29.600 28.738 0.168 0.000 1.235 395 Q HN 0.289 nan 8.270 nan 0.000 0.512 396 D N 1.928 122.420 120.400 0.154 0.000 2.312 396 D HA -0.011 4.632 4.640 0.005 0.000 0.252 396 D C -0.884 175.593 176.300 0.294 0.000 1.150 396 D CA 0.041 54.120 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 2.805 123.319 120.400 0.189 0.000 2.367 397 D HA -0.013 4.630 4.640 0.005 0.000 0.255 397 D C 1.218 177.609 176.300 0.152 0.000 1.300 397 D CA -0.014 54.083 54.000 0.161 0.000 0.959 397 D CB 0.296 41.190 40.800 0.156 0.000 1.064 397 D HN 0.294 nan 8.370 nan 0.000 0.509 398 R N 2.017 122.605 120.500 0.146 0.000 2.200 398 R HA -0.108 4.236 4.340 0.005 0.000 0.234 398 R C 0.477 176.792 176.300 0.025 0.000 1.127 398 R CA 0.902 57.070 56.100 0.112 0.000 0.989 398 R CB 0.238 30.546 30.300 0.013 0.000 0.869 398 R HN 0.407 nan 8.270 nan 0.000 0.459 399 D N -0.386 119.966 120.400 -0.079 0.000 2.328 399 D HA -0.039 4.604 4.640 0.005 0.000 0.221 399 D C 0.108 176.175 176.300 -0.387 0.000 1.072 399 D CA 0.232 54.089 54.000 -0.239 0.000 0.850 399 D CB -0.070 40.506 40.800 -0.374 0.000 0.922 399 D HN 0.174 nan 8.370 nan 0.000 0.516 400 H N 0.598 119.533 119.070 -0.225 0.000 2.929 400 H HA -0.080 4.480 4.556 0.005 0.000 0.317 400 H C 0.623 175.984 175.328 0.056 0.000 1.031 400 H CA 0.007 56.011 56.048 -0.074 0.000 1.466 400 H CB 0.480 30.261 29.762 0.031 0.000 1.482 400 H HN -0.045 nan 8.280 nan 0.000 0.561 401 F N 3.943 123.939 119.950 0.077 0.000 2.234 401 F HA -0.015 4.515 4.527 0.005 0.000 0.299 401 F C 2.312 178.215 175.800 0.172 0.000 1.087 401 F CA 1.446 59.528 58.000 0.137 0.000 1.340 401 F CB -0.383 38.732 39.000 0.192 0.000 1.031 401 F HN 0.711 nan 8.300 nan 0.000 0.500 402 G N -0.462 108.583 108.800 0.409 0.000 2.535 402 G HA2 -0.223 3.740 3.960 0.005 0.000 0.218 402 G HA3 -0.223 3.740 3.960 0.005 0.000 0.218 402 G C 1.388 176.228 174.900 -0.100 0.000 1.122 402 G CA 0.288 45.456 45.100 0.112 0.000 0.769 402 G HN 0.312 nan 8.290 nan 0.000 0.549 403 K N 0.248 120.620 120.400 -0.047 0.000 2.576 403 K HA 0.213 4.536 4.320 0.005 0.000 0.209 403 K C -0.173 176.362 176.600 -0.108 0.000 1.049 403 K CA 0.049 56.270 56.287 -0.111 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 0.618 120.909 120.400 -0.182 0.000 2.508 404 K HA 0.467 4.791 4.320 0.005 0.000 0.260 404 K C -0.627 175.791 176.600 -0.304 0.000 0.949 404 K CA -1.225 54.940 56.287 -0.203 0.000 0.834 404 K CB 1.904 34.304 32.500 -0.167 0.000 1.365 404 K HN -0.193 nan 8.250 nan 0.000 0.437 405 R N 0.954 121.320 120.500 -0.223 0.000 2.892 405 R HA 0.556 4.899 4.340 0.005 0.000 0.265 405 R C -0.700 175.496 176.300 -0.174 0.000 1.025 405 R CA -0.933 55.042 56.100 -0.207 0.000 0.982 405 R CB 0.842 31.059 30.300 -0.138 0.000 1.185 405 R HN 0.562 nan 8.270 nan 0.000 0.484 406 L N 2.107 123.242 121.223 -0.148 0.000 2.316 406 L HA 0.316 4.659 4.340 0.005 0.000 0.280 406 L C -0.643 176.180 176.870 -0.078 0.000 1.006 406 L CA -0.685 54.094 54.840 -0.101 0.000 0.836 406 L CB 1.800 43.808 42.059 -0.086 0.000 1.221 406 L HN 0.336 nan 8.230 nan 0.000 0.418 407 D N 4.133 124.488 120.400 -0.076 0.000 2.352 407 D HA 0.255 4.898 4.640 0.005 0.000 0.245 407 D C 0.067 176.319 176.300 -0.080 0.000 1.224 407 D CA -0.180 53.778 54.000 -0.071 0.000 0.879 407 D CB 2.028 42.780 40.800 -0.081 0.000 1.057 407 D HN 0.119 nan 8.370 nan 0.000 0.491 408 L N 1.553 122.745 121.223 -0.052 0.000 2.510 408 L HA 0.358 4.701 4.340 0.005 0.000 0.252 408 L C 1.822 178.677 176.870 -0.025 0.000 1.121 408 L CA -0.207 54.606 54.840 -0.044 0.000 0.803 408 L CB 0.407 42.453 42.059 -0.023 0.000 1.349 408 L HN 0.411 nan 8.230 nan 0.000 0.488 409 A N 0.871 123.696 122.820 0.009 0.000 1.882 409 A HA -0.258 4.065 4.320 0.005 0.000 0.220 409 A C 1.974 179.590 177.584 0.053 0.000 1.253 409 A CA 2.637 54.723 52.037 0.081 0.000 0.664 409 A CB -1.812 17.283 19.000 0.157 0.000 0.838 409 A HN 0.929 nan 8.150 nan 0.000 0.460 410 G N -0.078 108.777 108.800 0.091 0.000 2.863 410 G HA2 -0.262 3.701 3.960 0.005 0.000 0.217 410 G HA3 -0.262 3.701 3.960 0.005 0.000 0.217 410 G C -0.206 174.647 174.900 -0.078 0.000 1.315 410 G CA 1.562 46.675 45.100 0.022 0.000 0.796 410 G HN 0.478 nan 8.290 nan 0.000 0.669 411 P HA -0.116 nan 4.420 nan 0.000 0.218 411 P C 1.971 179.311 177.300 0.067 0.000 1.147 411 P CA 1.004 64.142 63.100 0.065 0.000 0.827 411 P CB -0.134 31.593 31.700 0.045 0.000 0.778 412 L N -2.084 119.164 121.223 0.042 0.000 2.068 412 L HA -0.108 4.235 4.340 0.005 0.000 0.204 412 L C 2.449 179.524 176.870 0.342 0.000 1.076 412 L CA 1.088 56.040 54.840 0.187 0.000 0.753 412 L CB -0.903 41.148 42.059 -0.013 0.000 0.910 412 L HN -0.055 nan 8.230 nan 0.000 0.439 413 L N -0.219 121.005 121.223 0.002 0.000 2.079 413 L HA -0.235 4.108 4.340 0.005 0.000 0.210 413 L C 2.880 179.683 176.870 -0.112 0.000 1.081 413 L CA 1.193 55.882 54.840 -0.252 0.000 0.752 413 L CB -0.733 40.749 42.059 -0.962 0.000 0.896 413 L HN 0.280 nan 8.230 nan 0.000 0.433 414 A N -0.682 122.106 122.820 -0.053 0.000 1.902 414 A HA -0.265 4.058 4.320 0.005 0.000 0.217 414 A C 2.208 179.967 177.584 0.291 0.000 1.181 414 A CA 1.548 53.815 52.037 0.383 0.000 0.623 414 A CB -0.521 18.697 19.000 0.362 0.000 0.818 414 A HN 0.449 nan 8.150 nan 0.000 0.443 415 Q N -0.706 119.238 119.800 0.240 0.000 2.112 415 Q HA -0.193 4.150 4.340 0.005 0.000 0.206 415 Q C 2.102 178.214 176.000 0.186 0.000 0.987 415 Q CA 1.657 57.600 55.803 0.234 0.000 0.858 415 Q CB -0.290 28.636 28.738 0.312 0.000 0.905 415 Q HN 0.720 nan 8.270 nan 0.000 0.420 416 L N -1.075 120.230 121.223 0.138 0.000 2.013 416 L HA -0.129 4.215 4.340 0.005 0.000 0.204 416 L C 2.188 179.120 176.870 0.103 0.000 1.081 416 L CA 0.732 55.573 54.840 0.002 0.000 0.751 416 L CB -0.595 41.342 42.059 -0.203 0.000 0.901 416 L HN 0.169 nan 8.230 nan 0.000 0.440 417 F N 1.087 121.076 119.950 0.066 0.000 2.079 417 F HA -0.405 4.125 4.527 0.005 0.000 0.296 417 F C 2.514 178.387 175.800 0.122 0.000 1.084 417 F CA 1.949 60.014 58.000 0.109 0.000 1.236 417 F CB -0.092 39.048 39.000 0.234 0.000 0.984 417 F HN -0.040 nan 8.300 nan 0.000 0.488 418 K N -0.846 119.758 120.400 0.340 0.000 1.965 418 K HA -0.155 4.168 4.320 0.005 0.000 0.214 418 K C 1.912 178.586 176.600 0.123 0.000 1.046 418 K CA 2.041 58.484 56.287 0.260 0.000 0.944 418 K CB -1.006 31.624 32.500 0.216 0.000 0.726 418 K HN 0.126 nan 8.250 nan 0.000 0.441 419 T N 2.091 116.698 114.554 0.088 0.000 2.792 419 T HA -0.177 4.176 4.350 0.005 0.000 0.268 419 T C 1.723 176.410 174.700 -0.023 0.000 1.059 419 T CA 1.241 63.359 62.100 0.031 0.000 1.136 419 T CB -0.141 68.745 68.868 0.029 0.000 0.846 419 T HN 0.139 nan 8.240 nan 0.000 0.489 420 L N -1.127 120.064 121.223 -0.054 0.000 2.221 420 L HA 0.202 4.545 4.340 0.005 0.000 0.202 420 L C 2.105 178.894 176.870 -0.136 0.000 1.074 420 L CA 0.506 55.272 54.840 -0.123 0.000 0.795 420 L CB -0.356 41.588 42.059 -0.191 0.000 0.960 420 L HN 0.170 nan 8.230 nan 0.000 0.458 421 F N 1.343 121.069 119.950 -0.373 0.000 2.333 421 F HA -0.156 4.374 4.527 0.005 0.000 0.300 421 F C 2.258 177.925 175.800 -0.222 0.000 1.083 421 F CA 1.307 59.073 58.000 -0.390 0.000 1.395 421 F CB -0.198 38.553 39.000 -0.415 0.000 1.056 421 F HN -0.120 nan 8.300 nan 0.000 0.529 422 K N 0.411 120.690 120.400 -0.201 0.000 1.984 422 K HA -0.153 4.170 4.320 0.005 0.000 0.209 422 K C 2.110 178.585 176.600 -0.209 0.000 1.046 422 K CA 1.563 57.708 56.287 -0.238 0.000 0.934 422 K CB -0.151 32.291 32.500 -0.098 0.000 0.717 422 K HN 0.146 nan 8.250 nan 0.000 0.438 423 K N 0.690 121.010 120.400 -0.133 0.000 2.173 423 K HA -0.215 4.108 4.320 0.005 0.000 0.207 423 K C 2.075 178.611 176.600 -0.106 0.000 1.046 423 K CA 1.117 57.346 56.287 -0.096 0.000 0.929 423 K CB -0.208 32.248 32.500 -0.074 0.000 0.720 423 K HN 0.047 nan 8.250 nan 0.000 0.453 424 L N 1.115 122.241 121.223 -0.161 0.000 1.973 424 L HA -0.178 4.165 4.340 0.005 0.000 0.208 424 L C 2.111 178.901 176.870 -0.133 0.000 1.073 424 L CA 1.952 56.709 54.840 -0.138 0.000 0.746 424 L CB -0.939 41.030 42.059 -0.151 0.000 0.891 424 L HN 0.107 nan 8.230 nan 0.000 0.433 425 T N 0.742 115.117 114.554 -0.298 0.000 2.505 425 T HA -0.345 4.008 4.350 0.005 0.000 0.259 425 T C 1.687 176.372 174.700 -0.024 0.000 1.158 425 T CA 2.520 64.504 62.100 -0.194 0.000 1.190 425 T CB -0.549 68.098 68.868 -0.367 0.000 0.864 425 T HN 0.553 nan 8.240 nan 0.000 0.413 426 K N 1.030 121.395 120.400 -0.057 0.000 2.218 426 K HA -0.185 4.138 4.320 0.005 0.000 0.205 426 K C 1.689 178.354 176.600 0.108 0.000 1.046 426 K CA 1.949 58.254 56.287 0.030 0.000 0.933 426 K CB -0.200 32.290 32.500 -0.017 0.000 0.728 426 K HN 0.266 nan 8.250 nan 0.000 0.454 427 D N 1.008 121.442 120.400 0.057 0.000 2.194 427 D HA 0.015 4.659 4.640 0.005 0.000 0.204 427 D C 1.971 178.344 176.300 0.122 0.000 0.964 427 D CA 0.781 54.825 54.000 0.074 0.000 0.846 427 D CB 0.076 40.891 40.800 0.025 0.000 0.962 427 D HN 0.305 nan 8.370 nan 0.000 0.490 428 I N 0.191 120.839 120.570 0.129 0.000 2.353 428 I HA -0.219 3.954 4.170 0.005 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 0.165 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 2.213 122.212 119.950 0.081 0.000 2.046 429 F HA -0.229 4.301 4.527 0.005 0.000 0.297 429 F C 2.693 178.538 175.800 0.075 0.000 1.123 429 F CA 1.706 59.747 58.000 0.067 0.000 1.199 429 F CB -0.418 38.603 39.000 0.034 0.000 0.972 429 F HN -0.140 nan 8.300 nan 0.000 0.474 430 R N -1.297 119.316 120.500 0.189 0.000 2.133 430 R HA -0.293 4.050 4.340 0.005 0.000 0.247 430 R C 2.162 178.478 176.300 0.027 0.000 1.151 430 R CA 2.006 58.147 56.100 0.069 0.000 0.971 430 R CB -1.201 29.165 30.300 0.110 0.000 0.866 430 R HN 0.459 nan 8.270 nan 0.000 0.447 431 Y N 1.439 121.720 120.300 -0.031 0.000 2.081 431 Y HA -0.280 4.274 4.550 0.005 0.000 0.280 431 Y C 2.217 178.067 175.900 -0.083 0.000 1.163 431 Y CA 1.928 60.005 58.100 -0.038 0.000 1.135 431 Y CB -0.270 38.185 38.460 -0.008 0.000 0.970 431 Y HN -0.054 nan 8.280 nan 0.000 0.498 432 M N -0.307 119.218 119.600 -0.125 0.000 2.132 432 M HA -0.257 4.226 4.480 0.005 0.000 0.263 432 M C 2.207 178.317 176.300 -0.318 0.000 1.065 432 M CA 1.881 57.026 55.300 -0.258 0.000 1.122 432 M CB -0.580 31.913 32.600 -0.178 0.000 1.365 432 M HN 0.289 nan 8.290 nan 0.000 0.411 433 Q N 0.464 120.038 119.800 -0.377 0.000 2.197 433 Q HA -0.160 4.183 4.340 0.005 0.000 0.207 433 Q C 1.544 177.418 176.000 -0.210 0.000 0.984 433 Q CA 1.355 56.965 55.803 -0.322 0.000 0.869 433 Q CB -0.166 28.389 28.738 -0.305 0.000 0.906 433 Q HN 0.527 nan 8.270 nan 0.000 0.426 434 R N -0.332 120.045 120.500 -0.205 0.000 2.356 434 R HA 0.088 4.431 4.340 0.005 0.000 0.234 434 R C -0.007 176.158 176.300 -0.225 0.000 0.929 434 R CA 0.239 56.236 56.100 -0.172 0.000 1.084 434 R CB 0.672 30.894 30.300 -0.129 0.000 1.105 434 R HN -0.089 nan 8.270 nan 0.000 0.515 435 T N 0.729 115.116 114.554 -0.278 0.000 3.390 435 T HA 0.144 4.497 4.350 0.005 0.000 0.351 435 T C 1.328 175.914 174.700 -0.191 0.000 1.759 435 T CA -0.289 61.637 62.100 -0.289 0.000 1.561 435 T CB 1.049 69.641 68.868 -0.460 0.000 1.011 435 T HN -0.150 nan 8.240 nan 0.000 0.689 436 V N 1.202 121.031 119.914 -0.142 0.000 2.220 436 V HA -0.145 3.978 4.120 0.005 0.000 0.242 436 V C 1.419 177.461 176.094 -0.087 0.000 1.041 436 V CA 1.246 63.484 62.300 -0.103 0.000 0.990 436 V CB -0.638 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 -0.213 122.452 122.820 -0.258 0.000 3.629 447 A HA -0.086 4.237 4.320 0.005 0.000 0.224 447 A C 0.161 177.528 177.584 -0.362 0.000 1.104 447 A CA 0.727 52.415 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 1.491 121.961 120.570 -0.167 0.000 2.325 448 I HA 0.228 4.402 4.170 0.005 0.000 0.291 448 I C 0.432 176.536 176.117 -0.022 0.000 1.019 448 I CA -0.405 60.856 61.300 -0.065 0.000 1.302 448 I CB 1.130 39.134 38.000 0.007 0.000 1.401 448 I HN 0.353 nan 8.210 nan 0.000 0.485 449 N N 5.388 124.075 118.700 -0.022 0.000 2.868 449 N HA 0.260 5.004 4.740 0.005 0.000 0.252 449 N C 0.975 176.486 175.510 0.002 0.000 1.130 449 N CA -0.061 52.988 53.050 -0.001 0.000 1.026 449 N CB 0.952 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 2.884 125.726 122.820 0.036 0.000 2.139 450 A HA -0.190 4.133 4.320 0.005 0.000 0.221 450 A C 2.167 179.755 177.584 0.006 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 0.062 120.480 120.400 0.032 0.000 2.147 451 K HA -0.127 4.196 4.320 0.005 0.000 0.205 451 K C 1.640 178.229 176.600 -0.018 0.000 1.049 451 K CA 1.933 58.232 56.287 0.021 0.000 0.936 451 K CB -0.727 31.790 32.500 0.029 0.000 0.722 451 K HN 0.428 nan 8.250 nan 0.000 0.446 452 T N 1.876 116.409 114.554 -0.036 0.000 2.699 452 T HA -0.124 4.229 4.350 0.005 0.000 0.268 452 T C 2.016 176.662 174.700 -0.089 0.000 1.036 452 T CA 1.572 63.637 62.100 -0.059 0.000 1.147 452 T CB -0.036 68.793 68.868 -0.065 0.000 0.862 452 T HN 0.204 nan 8.240 nan 0.000 0.446 453 I N 0.397 120.897 120.570 -0.117 0.000 2.296 453 I HA -0.111 4.062 4.170 0.005 0.000 0.242 453 I C 2.760 178.812 176.117 -0.109 0.000 1.087 453 I CA 0.985 62.186 61.300 -0.164 0.000 1.393 453 I CB -0.490 37.361 38.000 -0.248 0.000 1.093 453 I HN 0.215 nan 8.210 nan 0.000 0.421 454 T N 0.561 115.069 114.554 -0.077 0.000 2.635 454 T HA -0.209 4.144 4.350 0.005 0.000 0.267 454 T C 1.986 176.675 174.700 -0.018 0.000 1.040 454 T CA 2.209 64.293 62.100 -0.027 0.000 1.156 454 T CB -0.350 68.534 68.868 0.026 0.000 0.863 454 T HN 0.487 nan 8.240 nan 0.000 0.430 455 S N 0.923 116.615 115.700 -0.013 0.000 2.453 455 S HA 0.066 4.539 4.470 0.005 0.000 0.231 455 S C 2.286 176.882 174.600 -0.008 0.000 1.005 455 S CA 1.140 59.339 58.200 -0.002 0.000 0.949 455 S CB -0.785 62.416 63.200 0.001 0.000 0.774 455 S HN 0.514 nan 8.310 nan 0.000 0.510 456 G N 2.557 111.330 108.800 -0.045 0.000 2.453 456 G HA2 -0.073 3.890 3.960 0.005 0.000 0.215 456 G HA3 -0.073 3.890 3.960 0.005 0.000 0.215 456 G C 1.444 176.292 174.900 -0.087 0.000 1.201 456 G CA 1.016 46.078 45.100 -0.064 0.000 0.784 456 G HN 0.505 nan 8.290 nan 0.000 0.545 457 L N 0.034 121.188 121.223 -0.115 0.000 2.042 457 L HA -0.123 4.221 4.340 0.005 0.000 0.210 457 L C 2.973 179.746 176.870 -0.162 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 -0.110 0.000 0.893 457 L HN 0.209 nan 8.230 nan 0.000 0.432 458 K N -0.462 119.893 120.400 -0.075 0.000 1.978 458 K HA -0.263 4.060 4.320 0.005 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 0.103 nan 8.250 nan 0.000 0.441 459 Y N 1.210 121.454 120.300 -0.094 0.000 2.271 459 Y HA -0.347 4.206 4.550 0.005 0.000 0.284 459 Y C 1.826 177.665 175.900 -0.101 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 -0.082 0.000 0.973 459 Y HN 0.143 nan 8.280 nan 0.000 0.537 460 A N -0.769 121.839 122.820 -0.354 0.000 1.864 460 A HA -0.004 4.319 4.320 0.005 0.000 0.213 460 A C 1.934 179.385 177.584 -0.220 0.000 1.266 460 A CA 1.043 52.785 52.037 -0.493 0.000 0.612 460 A CB -1.122 17.296 19.000 -0.970 0.000 0.940 460 A HN 0.315 nan 8.150 nan 0.000 0.463 461 L N 0.078 121.188 121.223 -0.190 0.000 2.263 461 L HA -0.182 4.161 4.340 0.005 0.000 0.216 461 L C 2.702 179.574 176.870 0.003 0.000 1.111 461 L CA 1.814 56.643 54.840 -0.018 0.000 0.773 461 L CB -0.783 41.196 42.059 -0.134 0.000 0.906 461 L HN 0.464 nan 8.230 nan 0.000 0.439 462 A N -2.529 120.248 122.820 -0.072 0.000 1.943 462 A HA -0.023 4.300 4.320 0.005 0.000 0.213 462 A C 2.248 179.781 177.584 -0.085 0.000 1.181 462 A CA 1.562 53.567 52.037 -0.054 0.000 0.653 462 A CB -0.357 18.615 19.000 -0.047 0.000 0.833 462 A HN 0.384 nan 8.150 nan 0.000 0.451 463 T N -1.826 112.602 114.554 -0.211 0.000 3.004 463 T HA 0.392 4.745 4.350 0.005 0.000 0.243 463 T C 1.393 176.049 174.700 -0.074 0.000 1.020 463 T CA 1.112 63.082 62.100 -0.216 0.000 1.145 463 T CB 0.213 68.751 68.868 -0.549 0.000 0.876 463 T HN 1.371 nan 8.240 nan 0.000 0.449 464 G N 1.982 110.788 108.800 0.011 0.000 2.138 464 G HA2 -0.180 3.784 3.960 0.005 0.000 0.193 464 G HA3 -0.180 3.784 3.960 0.005 0.000 0.193 464 G C -0.056 174.951 174.900 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 0.642 119.412 118.700 0.117 0.000 3.044 465 N HA 0.196 4.939 4.740 0.005 0.000 0.254 465 N C 1.142 176.801 175.510 0.248 0.000 1.253 465 N CA -0.498 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 0.489 nan 8.380 nan 0.000 0.498 466 W N 1.672 122.963 121.300 -0.016 0.000 2.322 466 W HA -0.134 4.529 4.660 0.005 0.000 0.326 466 W C 1.150 177.698 176.519 0.047 0.000 1.224 466 W CA 1.611 58.962 57.345 0.010 0.000 1.257 466 W CB 0.095 29.556 29.460 0.001 0.000 1.174 466 W HN 0.427 nan 8.180 nan 0.000 0.460 478 G N -0.912 107.892 108.800 0.007 0.000 2.218 478 G HA2 -0.055 3.908 3.960 0.005 0.000 0.216 478 G HA3 -0.055 3.908 3.960 0.005 0.000 0.216 478 G C 0.423 175.297 174.900 -0.043 0.000 0.994 478 G CA 0.282 45.376 45.100 -0.010 0.000 0.637 478 G HN 1.328 nan 8.290 nan 0.000 0.505 479 V N 1.024 120.872 119.914 -0.110 0.000 3.432 479 V HA 0.524 4.647 4.120 0.005 0.000 0.304 479 V C 1.570 177.603 176.094 -0.101 0.000 1.107 479 V CA 0.946 63.112 62.300 -0.224 0.000 1.153 479 V CB 1.152 32.613 31.823 -0.604 0.000 1.072 479 V HN 2.025 nan 8.190 nan 0.000 0.485 480 S N 1.561 117.201 115.700 -0.100 0.000 3.394 480 S HA -0.167 4.306 4.470 0.005 0.000 0.490 480 S C -0.483 174.142 174.600 0.042 0.000 0.702 480 S CA 0.751 58.966 58.200 0.026 0.000 1.358 480 S CB -0.712 62.581 63.200 0.155 0.000 1.128 480 S HN 0.814 nan 8.310 nan 0.000 0.775 481 Q N 2.664 122.486 119.800 0.035 0.000 2.399 481 Q HA 0.645 4.988 4.340 0.005 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 1.660 30.498 28.738 0.166 0.000 1.386 481 Q HN 0.437 nan 8.270 nan 0.000 0.443 482 V N 2.387 122.359 119.914 0.097 0.000 2.425 482 V HA -0.049 4.074 4.120 0.005 0.000 0.276 482 V C 0.289 176.437 176.094 0.089 0.000 1.017 482 V CA -0.106 62.231 62.300 0.062 0.000 1.062 482 V CB -0.612 31.230 31.823 0.031 0.000 0.997 482 V HN 0.568 nan 8.190 nan 0.000 0.476 483 L N 5.517 126.747 121.223 0.012 0.000 2.605 483 L HA -0.017 4.326 4.340 0.005 0.000 0.296 483 L C 0.478 177.356 176.870 0.013 0.000 1.255 483 L CA 0.843 55.688 54.840 0.009 0.000 0.879 483 L CB -0.224 41.669 42.059 -0.276 0.000 1.124 483 L HN 0.740 nan 8.230 nan 0.000 0.507 484 N N 2.396 121.180 118.700 0.140 0.000 2.530 484 N HA 0.374 5.117 4.740 0.005 0.000 0.273 484 N C -0.210 175.174 175.510 -0.211 0.000 1.173 484 N CA 0.001 53.023 53.050 -0.048 0.000 0.967 484 N CB 0.557 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 0.234 4.577 4.340 0.005 0.000 0.432 485 R C -0.301 175.576 176.300 -0.704 0.000 1.018 485 R CA -0.079 55.712 56.100 -0.515 0.000 1.077 485 R CB -0.242 29.727 30.300 -0.551 0.000 1.394 485 R HN 0.632 nan 8.270 nan 0.000 0.608 486 Y N -2.034 118.136 120.300 -0.217 0.000 2.269 486 Y HA 0.305 4.859 4.550 0.006 0.000 0.294 486 Y C 0.797 176.663 175.900 -0.056 0.000 1.120 486 Y CA 0.461 58.446 58.100 -0.191 0.000 1.159 486 Y CB 0.542 38.917 38.460 -0.141 0.000 1.024 486 Y HN -0.212 nan 8.280 nan 0.000 0.532 487 T N -1.005 113.660 114.554 0.185 0.000 2.912 487 T HA 0.116 4.469 4.350 0.005 0.000 0.299 487 T C -0.140 174.675 174.700 0.192 0.000 1.052 487 T CA -0.722 61.490 62.100 0.187 0.000 0.996 487 T CB 1.346 70.302 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 4.302 4.550 0.005 0.000 0.282 488 Y C 2.550 178.489 175.900 0.064 0.000 1.192 488 Y CA 2.538 60.662 58.100 0.040 0.000 1.176 488 Y CB -0.255 38.165 38.460 -0.067 0.000 0.969 488 Y HN 0.677 nan 8.280 nan 0.000 0.519 489 S N -1.535 114.192 115.700 0.045 0.000 2.436 489 S HA -0.137 4.336 4.470 0.005 0.000 0.228 489 S C 2.257 176.845 174.600 -0.020 0.000 1.014 489 S CA 0.794 58.991 58.200 -0.004 0.000 0.950 489 S CB -1.009 62.285 63.200 0.157 0.000 0.784 489 S HN 0.577 nan 8.310 nan 0.000 0.504 490 S N 2.125 117.843 115.700 0.030 0.000 2.356 490 S HA -0.160 4.313 4.470 0.005 0.000 0.223 490 S C 1.924 176.531 174.600 0.013 0.000 1.032 490 S CA 1.811 60.035 58.200 0.041 0.000 1.005 490 S CB -1.696 61.582 63.200 0.131 0.000 0.867 490 S HN 0.570 nan 8.310 nan 0.000 0.449 491 T N 3.206 117.743 114.554 -0.028 0.000 2.684 491 T HA 0.017 4.370 4.350 0.005 0.000 0.267 491 T C 1.786 176.431 174.700 -0.091 0.000 1.036 491 T CA 1.684 63.746 62.100 -0.062 0.000 1.148 491 T CB -0.626 68.177 68.868 -0.108 0.000 0.863 491 T HN 0.339 nan 8.240 nan 0.000 0.436 492 L N 0.723 121.833 121.223 -0.188 0.000 1.989 492 L HA -0.129 4.214 4.340 0.005 0.000 0.211 492 L C 2.904 179.742 176.870 -0.053 0.000 1.071 492 L CA 1.295 56.043 54.840 -0.154 0.000 0.749 492 L CB -0.721 41.215 42.059 -0.206 0.000 0.890 492 L HN 0.259 nan 8.230 nan 0.000 0.431 493 S N -1.537 114.145 115.700 -0.031 0.000 2.400 493 S HA -0.266 4.208 4.470 0.005 0.000 0.232 493 S C 1.968 176.608 174.600 0.066 0.000 1.025 493 S CA 1.302 59.505 58.200 0.004 0.000 0.993 493 S CB -0.369 62.828 63.200 -0.004 0.000 0.808 493 S HN 0.508 nan 8.310 nan 0.000 0.478 494 H N -0.004 119.034 119.070 -0.052 0.000 2.363 494 H HA 0.104 4.663 4.556 0.005 0.000 0.301 494 H C 1.953 177.252 175.328 -0.049 0.000 1.074 494 H CA 1.271 57.291 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 0.312 121.535 121.223 -0.001 0.000 2.265 495 L HA -0.114 4.229 4.340 0.005 0.000 0.215 495 L C 1.641 178.481 176.870 -0.050 0.000 1.117 495 L CA 0.922 55.717 54.840 -0.075 0.000 0.782 495 L CB -0.095 41.934 42.059 -0.050 0.000 0.914 495 L HN 0.209 nan 8.230 nan 0.000 0.441 496 R N -0.299 120.190 120.500 -0.018 0.000 2.586 496 R HA 0.151 4.494 4.340 0.005 0.000 0.306 496 R C 0.368 176.661 176.300 -0.011 0.000 1.079 496 R CA -0.244 55.844 56.100 -0.019 0.000 1.083 496 R CB 0.320 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 -0.014 120.488 120.500 0.003 0.000 2.528 497 R HA 0.240 4.583 4.340 0.005 0.000 0.271 497 R C -0.726 175.571 176.300 -0.005 0.000 1.056 497 R CA 0.266 56.377 56.100 0.018 0.000 1.117 497 R CB 1.218 31.574 30.300 0.092 0.000 1.085 497 R HN -0.170 nan 8.270 nan 0.000 0.530 498 T N 2.204 116.757 114.554 -0.002 0.000 2.916 498 T HA 0.282 4.635 4.350 0.005 0.000 0.298 498 T C -1.495 173.204 174.700 -0.003 0.000 1.031 498 T CA -0.733 61.365 62.100 -0.003 0.000 0.993 498 T CB 1.271 70.149 68.868 0.016 0.000 1.045 498 T HN 0.642 nan 8.240 nan 0.000 0.454 499 N N 1.002 119.696 118.700 -0.010 0.000 2.272 499 N HA 0.581 5.324 4.740 0.005 0.000 0.305 499 N C -1.425 174.082 175.510 -0.005 0.000 1.103 499 N CA -0.467 52.577 53.050 -0.010 0.000 0.791 499 N CB 1.790 40.263 38.487 -0.023 0.000 1.356 499 N HN 0.409 nan 8.380 nan 0.000 0.486 500 T N 4.039 118.595 114.554 0.004 0.000 3.009 500 T HA 0.388 4.741 4.350 0.005 0.000 0.346 500 T C -2.455 172.248 174.700 0.005 0.000 1.092 500 T CA -0.828 61.280 62.100 0.014 0.000 1.080 500 T CB 1.211 70.103 68.868 0.039 0.000 1.037 500 T HN 0.510 nan 8.240 nan 0.000 0.487 501 P HA 0.221 nan 4.420 nan 0.000 0.273 501 P C 0.545 177.845 177.300 0.001 0.000 1.248 501 P CA -0.175 62.923 63.100 -0.004 0.000 0.817 501 P CB 0.642 32.337 31.700 -0.008 0.000 0.995 510 K N 1.407 121.785 120.400 -0.037 0.000 2.464 510 K HA 0.484 4.807 4.320 0.005 0.000 0.252 510 K C -2.407 174.189 176.600 -0.007 0.000 1.000 510 K CA -1.295 54.983 56.287 -0.015 0.000 0.951 510 K CB 2.432 34.929 32.500 -0.005 0.000 1.183 510 K HN 0.240 nan 8.250 nan 0.000 0.445 511 P HA 0.053 nan 4.420 nan 0.000 0.281 511 P C 0.011 177.341 177.300 0.050 0.000 1.291 511 P CA 0.050 63.167 63.100 0.028 0.000 0.906 511 P CB 0.577 32.292 31.700 0.024 0.000 1.388 512 R N -1.148 119.374 120.500 0.036 0.000 2.362 512 R HA 0.281 4.624 4.340 0.005 0.000 0.227 512 R C 0.561 176.888 176.300 0.045 0.000 0.905 512 R CA -0.338 55.782 56.100 0.034 0.000 1.067 512 R CB -0.338 29.972 30.300 0.018 0.000 1.078 512 R HN 0.022 nan 8.270 nan 0.000 0.516 513 Q N 1.840 121.674 119.800 0.057 0.000 2.352 513 Q HA 0.131 4.474 4.340 0.005 0.000 0.260 513 Q C -0.678 175.392 176.000 0.117 0.000 0.976 513 Q CA -0.356 55.487 55.803 0.066 0.000 0.881 513 Q CB 0.984 29.759 28.738 0.062 0.000 1.235 513 Q HN 0.148 nan 8.270 nan 0.000 0.419 514 L N 3.879 125.164 121.223 0.104 0.000 2.410 514 L HA 0.241 4.584 4.340 0.005 0.000 0.273 514 L C -1.167 175.803 176.870 0.166 0.000 1.152 514 L CA 0.342 55.282 54.840 0.166 0.000 0.855 514 L CB 0.291 42.399 42.059 0.082 0.000 1.129 514 L HN 0.731 nan 8.230 nan 0.000 0.463 515 H N 3.929 123.033 119.070 0.057 0.000 2.495 515 H HA 0.426 4.985 4.556 0.005 0.000 0.348 515 H C 0.970 176.161 175.328 -0.228 0.000 1.113 515 H CA -0.315 55.602 56.048 -0.219 0.000 1.195 515 H CB 0.933 30.413 29.762 -0.471 0.000 1.521 515 H HN 0.767 nan 8.280 nan 0.000 0.509 516 N N 1.637 119.840 118.700 -0.829 0.000 2.150 516 N HA -0.317 4.426 4.740 0.005 0.000 0.196 516 N C 1.575 176.874 175.510 -0.351 0.000 0.982 516 N CA 3.075 55.788 53.050 -0.562 0.000 0.896 516 N CB -0.796 37.300 38.487 -0.652 0.000 1.077 516 N HN 0.839 nan 8.380 nan 0.000 0.621 517 T N -0.783 113.513 114.554 -0.430 0.000 2.848 517 T HA -0.191 4.162 4.350 0.005 0.000 0.269 517 T C 1.506 176.236 174.700 0.051 0.000 1.081 517 T CA 1.336 63.367 62.100 -0.115 0.000 1.125 517 T CB -0.545 68.237 68.868 -0.144 0.000 0.848 517 T HN 0.276 nan 8.240 nan 0.000 0.503 518 H N -0.408 118.654 119.070 -0.013 0.000 2.456 518 H HA 0.062 4.621 4.556 0.005 0.000 0.296 518 H C 1.054 176.373 175.328 -0.015 0.000 1.079 518 H CA 0.348 56.308 56.048 -0.148 0.000 1.322 518 H CB -0.738 28.889 29.762 -0.225 0.000 1.388 518 H HN 0.606 nan 8.280 nan 0.000 0.538 519 W N 2.201 123.495 121.300 -0.010 0.000 2.409 519 W HA 0.120 4.783 4.660 0.005 0.000 0.338 519 W C 1.011 177.520 176.519 -0.017 0.000 1.273 519 W CA 1.874 59.202 57.345 -0.029 0.000 1.299 519 W CB -0.010 29.417 29.460 -0.055 0.000 1.192 519 W HN 0.505 nan 8.180 nan 0.000 0.565 520 G N 3.769 112.269 108.800 -0.499 0.000 2.299 520 G HA2 -0.341 3.622 3.960 0.005 0.000 0.237 520 G HA3 -0.341 3.622 3.960 0.005 0.000 0.237 520 G C 0.799 175.613 174.900 -0.143 0.000 1.027 520 G CA 0.570 45.472 45.100 -0.330 0.000 0.619 520 G HN 0.565 nan 8.290 nan 0.000 0.513 521 L N -0.167 121.025 121.223 -0.052 0.000 2.347 521 L HA 0.403 4.746 4.340 0.005 0.000 0.196 521 L C 1.004 177.819 176.870 -0.091 0.000 1.072 521 L CA 0.547 55.379 54.840 -0.014 0.000 0.817 521 L CB 0.000 42.161 42.059 0.170 0.000 1.029 521 L HN 0.134 nan 8.230 nan 0.000 0.478 522 V N -0.502 119.300 119.914 -0.187 0.000 2.581 522 V HA 0.194 4.318 4.120 0.005 0.000 0.303 522 V C -0.096 175.872 176.094 -0.210 0.000 1.041 522 V CA -1.292 60.859 62.300 -0.248 0.000 0.907 522 V CB 2.184 33.714 31.823 -0.490 0.000 0.994 522 V HN 0.293 nan 8.190 nan 0.000 0.442 523 C N 7.662 126.862 119.300 -0.167 0.000 2.633 523 C HA 0.182 4.645 4.460 0.005 0.000 0.415 523 C C 0.170 175.084 174.990 -0.127 0.000 1.393 523 C CA -0.585 58.353 59.018 -0.134 0.000 1.700 523 C CB 0.105 27.785 27.740 -0.100 0.000 2.541 523 C HN 0.882 nan 8.230 nan 0.000 0.603 524 P HA -0.032 nan 4.420 nan 0.000 0.221 524 P C 0.948 178.217 177.300 -0.052 0.000 1.150 524 P CA 2.218 65.282 63.100 -0.060 0.000 0.800 524 P CB 0.179 31.861 31.700 -0.029 0.000 0.787 525 A N 0.397 123.183 122.820 -0.057 0.000 1.919 525 A HA 0.044 4.367 4.320 0.005 0.000 0.211 525 A C 1.253 178.803 177.584 -0.056 0.000 1.310 525 A CA -0.052 51.952 52.037 -0.055 0.000 0.651 525 A CB -1.152 17.817 19.000 -0.051 0.000 0.996 525 A HN 0.170 nan 8.150 nan 0.000 0.479 526 E N 0.940 121.106 120.200 -0.057 0.000 2.729 526 E HA 0.209 4.562 4.350 0.005 0.000 0.246 526 E C -0.461 176.108 176.600 -0.051 0.000 0.984 526 E CA 0.891 57.262 56.400 -0.050 0.000 0.951 526 E CB -0.079 29.591 29.700 -0.051 0.000 0.914 526 E HN 0.349 nan 8.360 nan 0.000 0.509 527 T N 4.838 119.371 114.554 -0.035 0.000 3.168 527 T HA 0.255 4.608 4.350 0.005 0.000 0.373 527 T C -2.906 171.787 174.700 -0.011 0.000 1.681 527 T CA -1.249 60.832 62.100 -0.031 0.000 1.135 527 T CB 1.216 70.062 68.868 -0.037 0.000 1.477 527 T HN 0.375 nan 8.240 nan 0.000 0.480 528 P HA 0.340 nan 4.420 nan 0.000 0.274 528 P C -0.568 176.739 177.300 0.012 0.000 1.231 528 P CA -0.215 62.883 63.100 -0.005 0.000 0.790 528 P CB 0.710 32.399 31.700 -0.019 0.000 0.951 529 E N 0.247 120.461 120.200 0.023 0.000 2.349 529 E HA 0.399 4.752 4.350 0.005 0.000 0.262 529 E C 1.085 177.692 176.600 0.012 0.000 1.088 529 E CA -0.407 56.016 56.400 0.038 0.000 0.899 529 E CB 0.076 29.804 29.700 0.047 0.000 1.044 529 E HN 0.714 nan 8.360 nan 0.000 0.420 530 G N 1.684 110.494 108.800 0.016 0.000 2.602 530 G HA2 -0.494 3.470 3.960 0.005 0.000 0.306 530 G HA3 -0.494 3.470 3.960 0.005 0.000 0.306 530 G C 0.854 175.753 174.900 -0.002 0.000 1.301 530 G CA 1.063 46.166 45.100 0.004 0.000 0.974 530 G HN 0.897 nan 8.290 nan 0.000 0.547 531 Q N -1.727 118.069 119.800 -0.007 0.000 2.747 531 Q HA -0.377 3.966 4.340 0.005 0.000 0.351 531 Q C 2.177 178.174 176.000 -0.006 0.000 0.734 531 Q CA 3.419 59.217 55.803 -0.008 0.000 1.029 531 Q CB -1.539 27.192 28.738 -0.012 0.000 1.116 531 Q HN 2.224 nan 8.270 nan 0.000 0.846 532 A N 0.347 123.163 122.820 -0.007 0.000 2.507 532 A HA 0.307 4.630 4.320 0.005 0.000 0.270 532 A C 0.480 178.061 177.584 -0.005 0.000 1.318 532 A CA 0.050 52.083 52.037 -0.006 0.000 0.924 532 A CB -0.118 18.877 19.000 -0.008 0.000 1.061 532 A HN 0.571 nan 8.150 nan 0.000 0.516 533 C N 0.135 119.433 119.300 -0.002 0.000 2.538 533 C HA 0.384 4.847 4.460 0.005 0.000 0.408 533 C C 2.016 177.005 174.990 -0.002 0.000 1.421 533 C CA 1.520 60.538 59.018 -0.000 0.000 1.642 533 C CB -1.327 26.418 27.740 0.008 0.000 2.553 533 C HN 1.739 nan 8.230 nan 0.000 0.604 534 G N 4.350 113.144 108.800 -0.010 0.000 2.284 534 G HA2 -0.282 3.681 3.960 0.005 0.000 0.261 534 G HA3 -0.282 3.681 3.960 0.005 0.000 0.261 534 G C 0.641 175.537 174.900 -0.008 0.000 0.997 534 G CA 0.798 45.892 45.100 -0.009 0.000 0.621 534 G HN 0.781 nan 8.290 nan 0.000 0.534 535 L N 0.142 121.362 121.223 -0.005 0.000 2.168 535 L HA 0.218 4.561 4.340 0.005 0.000 0.203 535 L C 1.299 178.165 176.870 -0.007 0.000 1.078 535 L CA 0.583 55.424 54.840 0.001 0.000 0.780 535 L CB -0.203 41.857 42.059 0.003 0.000 0.939 535 L HN 0.133 nan 8.230 nan 0.000 0.451 536 V N 1.612 121.517 119.914 -0.015 0.000 2.408 536 V HA 0.167 4.290 4.120 0.005 0.000 0.267 536 V C 0.044 176.115 176.094 -0.038 0.000 1.047 536 V CA -0.247 62.042 62.300 -0.018 0.000 0.937 536 V CB 0.709 32.523 31.823 -0.015 0.000 0.999 536 V HN 0.210 nan 8.190 nan 0.000 0.472 537 K N 3.541 123.914 120.400 -0.046 0.000 2.313 537 K HA 0.545 4.869 4.320 0.005 0.000 0.235 537 K C -0.625 175.938 176.600 -0.063 0.000 1.035 537 K CA -0.996 55.239 56.287 -0.087 0.000 0.868 537 K CB 1.765 34.178 32.500 -0.144 0.000 1.232 537 K HN 0.538 nan 8.250 nan 0.000 0.459 538 N N 1.504 120.153 118.700 -0.085 0.000 2.480 538 N HA 0.258 5.001 4.740 0.005 0.000 0.289 538 N C -1.117 174.348 175.510 -0.075 0.000 1.073 538 N CA -0.365 52.649 53.050 -0.060 0.000 0.885 538 N CB 1.231 39.686 38.487 -0.053 0.000 1.421 538 N HN 0.382 nan 8.380 nan 0.000 0.503 539 L N 1.667 122.859 121.223 -0.052 0.000 2.485 539 L HA 0.134 4.477 4.340 0.005 0.000 0.275 539 L C 1.349 178.180 176.870 -0.065 0.000 1.207 539 L CA 0.069 54.876 54.840 -0.056 0.000 0.855 539 L CB 0.237 42.271 42.059 -0.042 0.000 1.114 539 L HN 0.369 nan 8.230 nan 0.000 0.485 540 S N 1.910 117.558 115.700 -0.086 0.000 2.617 540 S HA 0.176 4.649 4.470 0.005 0.000 0.255 540 S C 1.449 176.019 174.600 -0.051 0.000 1.318 540 S CA -0.663 57.484 58.200 -0.088 0.000 0.978 540 S CB 0.588 63.706 63.200 -0.137 0.000 0.961 540 S HN 0.476 nan 8.310 nan 0.000 0.582 541 L N 0.265 121.475 121.223 -0.022 0.000 2.027 541 L HA -0.033 4.310 4.340 0.005 0.000 0.206 541 L C 2.017 178.913 176.870 0.045 0.000 1.074 541 L CA 1.308 56.204 54.840 0.093 0.000 0.745 541 L CB -0.383 41.782 42.059 0.177 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 -0.191 0.000 2.568 542 M HA 0.071 4.555 4.480 0.005 0.000 0.226 542 M C 0.659 176.732 176.300 -0.378 0.000 1.148 542 M CA -0.055 54.920 55.300 -0.542 0.000 1.007 542 M CB -0.174 31.961 32.600 -0.776 0.000 1.651 542 M HN 0.224 nan 8.290 nan 0.000 0.488 543 S N -0.534 115.034 115.700 -0.219 0.000 2.601 543 S HA 0.490 4.963 4.470 0.005 0.000 0.271 543 S C -0.080 174.335 174.600 -0.309 0.000 1.305 543 S CA -0.840 57.212 58.200 -0.247 0.000 1.022 543 S CB 1.577 64.678 63.200 -0.164 0.000 0.940 543 S HN 0.365 nan 8.310 nan 0.000 0.525 544 C N 1.044 119.980 119.300 -0.607 0.000 3.318 544 C HA 0.695 5.158 4.460 0.005 0.000 0.329 544 C C -0.727 173.773 174.990 -0.816 0.000 1.449 544 C CA -0.884 57.691 59.018 -0.738 0.000 1.397 544 C CB 1.014 28.152 27.740 -1.003 0.000 1.810 544 C HN 0.928 nan 8.230 nan 0.000 0.449 545 I N 1.810 122.114 120.570 -0.444 0.000 2.534 545 I HA 0.263 4.436 4.170 0.005 0.000 0.288 545 I C 0.177 176.382 176.117 0.146 0.000 1.077 545 I CA 0.047 61.270 61.300 -0.129 0.000 1.051 545 I CB 2.083 40.028 38.000 -0.093 0.000 1.234 545 I HN 0.824 nan 8.210 nan 0.000 0.425 546 S N 4.316 120.204 115.700 0.313 0.000 2.593 546 S HA 0.041 4.514 4.470 0.005 0.000 0.300 546 S C 0.544 175.182 174.600 0.063 0.000 1.267 546 S CA -0.418 57.887 58.200 0.175 0.000 1.065 546 S CB 1.381 64.624 63.200 0.071 0.000 0.807 546 S HN 0.500 nan 8.310 nan 0.000 0.499 547 V N 3.251 123.183 119.914 0.029 0.000 3.307 547 V HA 0.435 4.558 4.120 0.005 0.000 0.253 547 V C 1.202 177.281 176.094 -0.025 0.000 1.149 547 V CA 1.245 63.542 62.300 -0.005 0.000 1.112 547 V CB -0.518 31.287 31.823 -0.030 0.000 0.777 547 V HN 1.585 nan 8.190 nan 0.000 0.464 548 G N 0.132 108.914 108.800 -0.030 0.000 3.367 548 G HA2 -0.043 3.920 3.960 0.005 0.000 0.686 548 G HA3 -0.043 3.920 3.960 0.005 0.000 0.686 548 G C -0.446 174.419 174.900 -0.059 0.000 1.146 548 G CA -0.236 44.846 45.100 -0.031 0.000 0.913 548 G HN 0.226 nan 8.290 nan 0.000 0.554 549 T N 1.831 116.362 114.554 -0.038 0.000 2.930 549 T HA 0.587 4.940 4.350 0.005 0.000 0.290 549 T C -0.370 174.318 174.700 -0.019 0.000 1.052 549 T CA -0.538 61.535 62.100 -0.046 0.000 1.017 549 T CB 1.888 70.729 68.868 -0.045 0.000 1.137 549 T HN 0.660 nan 8.240 nan 0.000 0.511 550 D N 1.996 122.389 120.400 -0.012 0.000 2.348 550 D HA 0.160 4.803 4.640 0.005 0.000 0.253 550 D C -1.234 175.064 176.300 -0.002 0.000 1.161 550 D CA -1.890 52.112 54.000 0.004 0.000 0.876 550 D CB 1.553 42.361 40.800 0.015 0.000 1.160 550 D HN 0.131 nan 8.370 nan 0.000 0.459 551 P HA -0.067 nan 4.420 nan 0.000 0.224 551 P C 1.812 179.100 177.300 -0.020 0.000 1.157 551 P CA 0.560 63.656 63.100 -0.006 0.000 0.799 551 P CB 0.384 32.094 31.700 0.016 0.000 0.809 552 M N 1.153 120.752 119.600 -0.003 0.000 2.226 552 M HA -0.134 4.349 4.480 0.005 0.000 0.257 552 M C -0.244 176.058 176.300 0.003 0.000 1.070 552 M CA 3.259 58.560 55.300 0.002 0.000 1.087 552 M CB -2.597 30.012 32.600 0.015 0.000 1.278 552 M HN 0.002 nan 8.290 nan 0.000 0.426 553 P HA -0.185 nan 4.420 nan 0.000 0.219 553 P C 1.327 178.647 177.300 0.033 0.000 1.144 553 P CA 1.732 64.846 63.100 0.022 0.000 0.806 553 P CB -0.338 31.365 31.700 0.006 0.000 0.771 554 I N -0.709 119.858 120.570 -0.007 0.000 2.385 554 I HA -0.102 4.071 4.170 0.005 0.000 0.244 554 I C 2.649 178.774 176.117 0.014 0.000 1.089 554 I CA 0.701 61.994 61.300 -0.010 0.000 1.410 554 I CB -0.479 37.478 38.000 -0.073 0.000 1.117 554 I HN -0.210 nan 8.210 nan 0.000 0.429 555 I N 0.658 121.187 120.570 -0.069 0.000 2.315 555 I HA -0.303 3.870 4.170 0.005 0.000 0.251 555 I C 2.456 178.556 176.117 -0.028 0.000 1.125 555 I CA 1.384 62.602 61.300 -0.137 0.000 1.392 555 I CB -0.794 37.077 38.000 -0.215 0.000 1.065 555 I HN 0.294 nan 8.210 nan 0.000 0.424 556 T N 0.881 115.453 114.554 0.030 0.000 2.623 556 T HA -0.171 4.182 4.350 0.005 0.000 0.254 556 T C 1.667 176.421 174.700 0.090 0.000 1.075 556 T CA 1.337 63.471 62.100 0.057 0.000 1.177 556 T CB -0.481 68.431 68.868 0.072 0.000 0.869 556 T HN 0.324 nan 8.240 nan 0.000 0.403 557 F N 1.715 121.668 119.950 0.005 0.000 2.106 557 F HA -0.251 4.280 4.527 0.005 0.000 0.299 557 F C 1.908 177.738 175.800 0.050 0.000 1.082 557 F CA 1.402 59.423 58.000 0.036 0.000 1.244 557 F CB -0.486 38.475 39.000 -0.066 0.000 0.997 557 F HN 0.114 nan 8.300 nan 0.000 0.486 558 L N -0.072 121.218 121.223 0.111 0.000 1.970 558 L HA -0.276 4.067 4.340 0.005 0.000 0.212 558 L C 2.789 179.600 176.870 -0.099 0.000 1.071 558 L CA 1.871 56.702 54.840 -0.015 0.000 0.751 558 L CB -1.141 40.898 42.059 -0.033 0.000 0.889 558 L HN 0.366 nan 8.230 nan 0.000 0.432 559 S N -1.186 114.478 115.700 -0.060 0.000 2.500 559 S HA -0.179 4.294 4.470 0.005 0.000 0.239 559 S C 1.494 176.052 174.600 -0.071 0.000 0.989 559 S CA 0.946 59.111 58.200 -0.058 0.000 0.951 559 S CB -0.337 62.849 63.200 -0.023 0.000 0.759 559 S HN 0.452 nan 8.310 nan 0.000 0.523 560 E N -0.871 119.282 120.200 -0.078 0.000 2.465 560 E HA 0.098 4.451 4.350 0.005 0.000 0.191 560 E C -0.769 175.705 176.600 -0.209 0.000 1.053 560 E CA -0.079 56.254 56.400 -0.110 0.000 0.869 560 E CB 0.206 29.870 29.700 -0.060 0.000 0.977 560 E HN 0.758 nan 8.360 nan 0.000 0.483 561 W N -0.065 120.997 121.300 -0.396 0.000 1.190 561 W HA 0.322 4.985 4.660 0.005 0.000 0.276 561 W C 0.588 176.967 176.519 -0.234 0.000 0.867 561 W CA 0.062 57.208 57.345 -0.331 0.000 2.129 561 W CB 0.865 30.040 29.460 -0.475 0.000 1.207 561 W HN 0.146 nan 8.180 nan 0.000 0.477 562 G N 0.826 109.611 108.800 -0.025 0.000 2.713 562 G HA2 -0.158 3.805 3.960 0.005 0.000 0.215 562 G HA3 -0.158 3.805 3.960 0.005 0.000 0.215 562 G C 0.355 175.222 174.900 -0.054 0.000 1.265 562 G CA -0.125 45.019 45.100 0.073 0.000 1.204 562 G HN 0.532 nan 8.290 nan 0.000 0.545 563 M N 1.439 120.924 119.600 -0.191 0.000 2.460 563 M HA -0.124 4.359 4.480 0.005 0.000 0.182 563 M C -0.097 176.181 176.300 -0.038 0.000 0.903 563 M CA 1.568 56.797 55.300 -0.118 0.000 0.555 563 M CB -1.506 31.000 32.600 -0.157 0.000 1.106 563 M HN 0.550 nan 8.290 nan 0.000 0.867 564 E N 4.126 124.331 120.200 0.008 0.000 2.415 564 E HA 0.120 4.473 4.350 0.005 0.000 0.260 564 E C -1.934 174.627 176.600 -0.065 0.000 1.016 564 E CA -1.215 55.176 56.400 -0.015 0.000 0.924 564 E CB 0.108 29.811 29.700 0.005 0.000 0.961 564 E HN 0.436 nan 8.360 nan 0.000 0.459 565 P HA -0.143 nan 4.420 nan 0.000 0.263 565 P C 0.518 177.753 177.300 -0.108 0.000 1.175 565 P CA 0.012 63.072 63.100 -0.066 0.000 0.761 565 P CB 0.757 32.436 31.700 -0.034 0.000 0.794 566 L N 3.025 124.132 121.223 -0.192 0.000 2.349 566 L HA -0.195 4.148 4.340 0.005 0.000 0.220 566 L C 2.246 179.107 176.870 -0.014 0.000 1.130 566 L CA 1.770 56.430 54.840 -0.299 0.000 0.791 566 L CB -0.886 40.885 42.059 -0.481 0.000 0.918 566 L HN 0.314 nan 8.230 nan 0.000 0.444 567 E N -0.308 119.894 120.200 0.002 0.000 2.058 567 E HA -0.164 4.189 4.350 0.005 0.000 0.194 567 E C 0.511 177.181 176.600 0.117 0.000 0.997 567 E CA 1.257 57.686 56.400 0.049 0.000 0.801 567 E CB -0.467 29.206 29.700 -0.045 0.000 0.746 567 E HN 0.567 nan 8.360 nan 0.000 0.450 568 D N 0.436 120.882 120.400 0.076 0.000 3.139 568 D HA 0.036 4.679 4.640 0.005 0.000 0.268 568 D C -0.643 175.741 176.300 0.139 0.000 1.322 568 D CA -0.217 53.836 54.000 0.088 0.000 0.940 568 D CB -0.369 40.452 40.800 0.035 0.000 1.050 568 D HN 0.045 nan 8.370 nan 0.000 0.503 569 Y N 1.285 121.612 120.300 0.046 0.000 2.328 569 Y HA 0.297 4.850 4.550 0.005 0.000 0.337 569 Y C -0.529 175.417 175.900 0.077 0.000 1.008 569 Y CA -1.350 56.723 58.100 -0.046 0.000 1.129 569 Y CB 1.071 39.298 38.460 -0.388 0.000 1.185 569 Y HN -0.158 nan 8.280 nan 0.000 0.476 570 V N 9.343 129.060 119.914 -0.330 0.000 2.250 570 V HA 0.272 4.395 4.120 0.005 0.000 0.268 570 V C -1.777 173.947 176.094 -0.617 0.000 1.043 570 V CA -1.549 60.520 62.300 -0.384 0.000 0.814 570 V CB 0.700 32.363 31.823 -0.267 0.000 1.072 570 V HN 0.681 nan 8.190 nan 0.000 0.451 571 P HA -0.268 nan 4.420 nan 0.000 0.213 571 P C 1.442 178.662 177.300 -0.134 0.000 1.176 571 P CA 2.166 64.953 63.100 -0.522 0.000 0.919 571 P CB -0.142 31.449 31.700 -0.181 0.000 0.791 572 H N -0.594 118.413 119.070 -0.106 0.000 2.568 572 H HA -0.013 4.546 4.556 0.005 0.000 0.281 572 H C 1.699 177.005 175.328 -0.036 0.000 1.028 572 H CA 0.977 57.003 56.048 -0.036 0.000 1.199 572 H CB -0.604 29.143 29.762 -0.026 0.000 1.352 572 H HN 0.324 nan 8.280 nan 0.000 0.605 573 Q N 0.422 119.943 119.800 -0.466 0.000 2.350 573 Q HA 0.156 4.499 4.340 0.005 0.000 0.225 573 Q C -0.003 175.904 176.000 -0.153 0.000 0.878 573 Q CA 0.026 55.609 55.803 -0.367 0.000 0.935 573 Q CB 0.939 29.402 28.738 -0.458 0.000 1.099 573 Q HN 0.200 nan 8.270 nan 0.000 0.527 574 S N 1.716 117.359 115.700 -0.095 0.000 2.300 574 S HA 0.221 4.694 4.470 0.005 0.000 0.172 574 S C -2.187 172.447 174.600 0.057 0.000 1.484 574 S CA -0.875 57.330 58.200 0.009 0.000 1.265 574 S CB 1.374 64.628 63.200 0.090 0.000 1.313 574 S HN 0.304 nan 8.310 nan 0.000 0.387 575 P HA -0.117 nan 4.420 nan 0.000 0.214 575 P C 0.345 177.685 177.300 0.066 0.000 1.163 575 P CA 1.322 64.464 63.100 0.069 0.000 0.883 575 P CB -0.017 31.721 31.700 0.062 0.000 0.788 576 D N 0.186 120.610 120.400 0.041 0.000 2.348 576 D HA 0.157 4.800 4.640 0.005 0.000 0.248 576 D C 0.841 177.149 176.300 0.014 0.000 1.142 576 D CA 0.228 54.244 54.000 0.027 0.000 0.904 576 D CB -0.344 40.463 40.800 0.012 0.000 0.901 576 D HN 0.196 nan 8.370 nan 0.000 0.523 577 A N 0.482 123.319 122.820 0.029 0.000 2.340 577 A HA 0.405 4.728 4.320 0.005 0.000 0.268 577 A C 0.504 178.080 177.584 -0.013 0.000 1.100 577 A CA -0.191 51.850 52.037 0.006 0.000 0.803 577 A CB 0.655 19.685 19.000 0.050 0.000 1.043 577 A HN -0.002 nan 8.150 nan 0.000 0.488 578 T N 2.240 116.778 114.554 -0.027 0.000 2.829 578 T HA 0.492 4.845 4.350 0.005 0.000 0.282 578 T C 0.064 174.742 174.700 -0.037 0.000 0.990 578 T CA -0.466 61.625 62.100 -0.014 0.000 1.028 578 T CB 0.686 69.565 68.868 0.019 0.000 0.951 578 T HN 0.687 nan 8.240 nan 0.000 0.460 579 R N 1.754 122.217 120.500 -0.062 0.000 2.207 579 R HA 0.624 4.968 4.340 0.005 0.000 0.334 579 R C -0.939 175.294 176.300 -0.112 0.000 1.013 579 R CA -0.763 55.285 56.100 -0.086 0.000 0.858 579 R CB 0.341 30.513 30.300 -0.214 0.000 1.094 579 R HN 0.269 nan 8.270 nan 0.000 0.457 580 V N 4.493 124.369 119.914 -0.062 0.000 2.583 580 V HA 0.311 4.434 4.120 0.005 0.000 0.287 580 V C -0.414 175.599 176.094 -0.135 0.000 1.051 580 V CA -0.033 62.248 62.300 -0.031 0.000 1.010 580 V CB 0.404 32.223 31.823 -0.006 0.000 0.988 580 V HN 0.566 nan 8.190 nan 0.000 0.478 581 F N 2.987 122.915 119.950 -0.037 0.000 2.540 581 F HA 0.684 5.214 4.527 0.005 0.000 0.317 581 F C -0.180 175.565 175.800 -0.092 0.000 1.104 581 F CA -0.737 57.247 58.000 -0.026 0.000 0.913 581 F CB 2.202 41.097 39.000 -0.175 0.000 1.170 581 F HN 0.133 nan 8.300 nan 0.000 0.450 582 V N 3.439 123.482 119.914 0.215 0.000 2.525 582 V HA 0.294 4.418 4.120 0.005 0.000 0.299 582 V C -0.368 175.797 176.094 0.119 0.000 1.034 582 V CA -1.237 61.081 62.300 0.028 0.000 0.863 582 V CB 1.555 33.317 31.823 -0.102 0.000 0.999 582 V HN 0.828 nan 8.190 nan 0.000 0.423 583 N N 4.158 122.862 118.700 0.007 0.000 2.710 583 N HA -0.237 4.506 4.740 0.005 0.000 0.249 583 N C 1.164 176.832 175.510 0.263 0.000 1.059 583 N CA 1.842 55.019 53.050 0.212 0.000 0.720 583 N CB -0.905 37.708 38.487 0.211 0.000 0.983 583 N HN 1.494 nan 8.380 nan 0.000 0.544 584 G N -3.235 105.704 108.800 0.232 0.000 2.308 584 G HA2 -0.312 3.651 3.960 0.005 0.000 0.221 584 G HA3 -0.312 3.651 3.960 0.005 0.000 0.221 584 G C 0.043 175.293 174.900 0.582 0.000 1.032 584 G CA 0.093 45.397 45.100 0.340 0.000 0.623 584 G HN 0.450 nan 8.290 nan 0.000 0.506 585 V N 1.019 121.227 119.914 0.490 0.000 2.649 585 V HA 0.491 4.614 4.120 0.005 0.000 0.292 585 V C 0.384 176.710 176.094 0.387 0.000 1.055 585 V CA -0.210 62.296 62.300 0.343 0.000 1.023 585 V CB 1.421 33.253 31.823 0.015 0.000 0.992 585 V HN 0.346 nan 8.190 nan 0.000 0.480 586 W N 4.847 126.143 121.300 -0.007 0.000 2.360 586 W HA 0.390 5.053 4.660 0.005 0.000 0.344 586 W C 0.938 177.270 176.519 -0.311 0.000 1.025 586 W CA -1.007 56.096 57.345 -0.402 0.000 1.480 586 W CB -0.288 28.954 29.460 -0.363 0.000 1.350 586 W HN 0.698 nan 8.180 nan 0.000 0.382 587 H N 3.584 122.636 119.070 -0.030 0.000 2.533 587 H HA 0.246 4.805 4.556 0.005 0.000 0.271 587 H C 1.207 176.406 175.328 -0.215 0.000 1.000 587 H CA 1.057 57.047 56.048 -0.097 0.000 1.149 587 H CB 0.481 30.219 29.762 -0.039 0.000 1.375 587 H HN 0.576 nan 8.280 nan 0.000 0.582 588 G N -0.033 108.584 108.800 -0.305 0.000 2.291 588 G HA2 0.078 4.041 3.960 0.005 0.000 0.249 588 G HA3 0.078 4.041 3.960 0.005 0.000 0.249 588 G C -1.548 173.130 174.900 -0.370 0.000 1.340 588 G CA -0.276 44.567 45.100 -0.428 0.000 1.017 588 G HN 0.094 nan 8.290 nan 0.000 0.470 589 V N -0.350 119.381 119.914 -0.306 0.000 3.181 589 V HA 0.877 5.000 4.120 0.005 0.000 0.308 589 V C -1.037 175.048 176.094 -0.015 0.000 1.214 589 V CA -0.594 61.562 62.300 -0.241 0.000 1.053 589 V CB 2.198 33.702 31.823 -0.532 0.000 1.069 589 V HN 1.393 nan 8.190 nan 0.000 0.441 590 H N 1.196 120.204 119.070 -0.104 0.000 3.179 590 H HA 0.506 5.065 4.556 0.005 0.000 0.331 590 H C -0.369 174.946 175.328 -0.021 0.000 1.013 590 H CA -0.605 55.415 56.048 -0.046 0.000 1.430 590 H CB 1.062 30.812 29.762 -0.020 0.000 1.895 590 H HN 0.630 nan 8.280 nan 0.000 0.468 591 R N 2.587 122.906 120.500 -0.302 0.000 2.738 591 R HA 0.154 4.497 4.340 0.005 0.000 0.275 591 R C 0.142 176.116 176.300 -0.544 0.000 1.121 591 R CA -0.544 55.386 56.100 -0.283 0.000 1.207 591 R CB 0.188 30.390 30.300 -0.163 0.000 1.141 591 R HN 0.750 nan 8.270 nan 0.000 0.571 592 N N 1.270 119.798 118.700 -0.287 0.000 2.678 592 N HA -0.111 4.632 4.740 0.005 0.000 0.268 592 N C -1.707 173.657 175.510 -0.243 0.000 1.010 592 N CA 0.240 53.159 53.050 -0.219 0.000 0.784 592 N CB -0.144 38.250 38.487 -0.155 0.000 0.905 592 N HN 0.499 nan 8.380 nan 0.000 0.552 593 P HA -0.032 nan 4.420 nan 0.000 0.227 593 P C 1.164 178.518 177.300 0.091 0.000 1.161 593 P CA 1.087 64.230 63.100 0.072 0.000 0.788 593 P CB 0.036 31.778 31.700 0.070 0.000 0.822 594 A N 1.319 124.164 122.820 0.042 0.000 1.908 594 A HA -0.207 4.116 4.320 0.005 0.000 0.218 594 A C 2.437 180.063 177.584 0.070 0.000 1.181 594 A CA 1.453 53.518 52.037 0.047 0.000 0.627 594 A CB -1.043 17.973 19.000 0.028 0.000 0.818 594 A HN 0.107 nan 8.150 nan 0.000 0.445 595 R N -1.287 119.269 120.500 0.094 0.000 2.057 595 R HA -0.052 4.292 4.340 0.005 0.000 0.229 595 R C 2.201 178.597 176.300 0.160 0.000 1.136 595 R CA 1.257 57.436 56.100 0.131 0.000 0.952 595 R CB -0.850 29.548 30.300 0.164 0.000 0.848 595 R HN 0.493 nan 8.270 nan 0.000 0.430 596 L N 1.256 122.620 121.223 0.234 0.000 2.010 596 L HA -0.265 4.078 4.340 0.005 0.000 0.219 596 L C 2.373 179.292 176.870 0.081 0.000 1.077 596 L CA 1.944 56.908 54.840 0.207 0.000 0.773 596 L CB -0.535 41.697 42.059 0.289 0.000 0.892 596 L HN 0.128 nan 8.230 nan 0.000 0.436 597 M N -0.082 119.566 119.600 0.080 0.000 2.065 597 M HA -0.253 4.230 4.480 0.005 0.000 0.259 597 M C 2.316 178.616 176.300 0.001 0.000 1.069 597 M CA 2.341 57.661 55.300 0.032 0.000 1.110 597 M CB -0.584 32.041 32.600 0.043 0.000 1.328 597 M HN 0.524 nan 8.290 nan 0.000 0.405 598 E N -1.589 118.621 120.200 0.016 0.000 2.160 598 E HA -0.187 4.166 4.350 0.005 0.000 0.195 598 E C 1.477 178.055 176.600 -0.035 0.000 0.991 598 E CA 1.827 58.226 56.400 -0.001 0.000 0.810 598 E CB -0.065 29.647 29.700 0.021 0.000 0.742 598 E HN 0.584 nan 8.360 nan 0.000 0.466 599 T N 1.269 115.792 114.554 -0.052 0.000 2.668 599 T HA -0.128 4.225 4.350 0.005 0.000 0.262 599 T C 1.849 176.426 174.700 -0.205 0.000 1.045 599 T CA 1.267 63.277 62.100 -0.149 0.000 1.152 599 T CB -0.316 68.369 68.868 -0.305 0.000 0.864 599 T HN 0.136 nan 8.240 nan 0.000 0.419 600 L N 0.668 121.774 121.223 -0.194 0.000 1.976 600 L HA -0.261 4.082 4.340 0.005 0.000 0.223 600 L C 2.945 179.702 176.870 -0.187 0.000 1.081 600 L CA 1.837 56.536 54.840 -0.236 0.000 0.784 600 L CB -0.614 41.356 42.059 -0.148 0.000 0.896 600 L HN 0.235 nan 8.230 nan 0.000 0.438 601 R N -0.799 119.633 120.500 -0.112 0.000 2.119 601 R HA -0.176 4.167 4.340 0.005 0.000 0.246 601 R C 2.170 178.408 176.300 -0.103 0.000 1.146 601 R CA 2.002 58.050 56.100 -0.086 0.000 0.962 601 R CB -0.867 29.406 30.300 -0.045 0.000 0.863 601 R HN 0.442 nan 8.270 nan 0.000 0.442 602 T N 1.495 115.985 114.554 -0.106 0.000 2.788 602 T HA -0.080 4.274 4.350 0.005 0.000 0.268 602 T C 1.804 176.426 174.700 -0.130 0.000 1.044 602 T CA 0.981 63.021 62.100 -0.100 0.000 1.139 602 T CB -0.073 68.748 68.868 -0.079 0.000 0.867 602 T HN 0.167 nan 8.240 nan 0.000 0.454 603 L N 0.477 121.586 121.223 -0.189 0.000 2.291 603 L HA 0.092 4.435 4.340 0.005 0.000 0.214 603 L C 2.752 179.506 176.870 -0.193 0.000 1.120 603 L CA 0.771 55.476 54.840 -0.225 0.000 0.799 603 L CB -0.317 41.515 42.059 -0.379 0.000 0.925 603 L HN 0.151 nan 8.230 nan 0.000 0.446 604 R N 0.323 120.720 120.500 -0.172 0.000 2.246 604 R HA -0.003 4.340 4.340 0.005 0.000 0.199 604 R C 2.013 178.232 176.300 -0.134 0.000 0.984 604 R CA 0.437 56.449 56.100 -0.146 0.000 1.015 604 R CB 0.219 30.444 30.300 -0.126 0.000 0.930 604 R HN 0.291 nan 8.270 nan 0.000 0.475 605 R N -0.182 120.243 120.500 -0.126 0.000 2.156 605 R HA 0.064 4.408 4.340 0.005 0.000 0.207 605 R C 2.053 178.283 176.300 -0.116 0.000 1.040 605 R CA 0.551 56.577 56.100 -0.124 0.000 1.013 605 R CB 0.025 30.263 30.300 -0.104 0.000 0.931 605 R HN 0.038 nan 8.270 nan 0.000 0.465 606 K N -0.009 120.329 120.400 -0.104 0.000 2.288 606 K HA -0.071 4.252 4.320 0.005 0.000 0.201 606 K C 0.850 177.396 176.600 -0.090 0.000 1.048 606 K CA 1.295 57.531 56.287 -0.085 0.000 0.956 606 K CB 0.270 32.726 32.500 -0.074 0.000 0.746 606 K HN 0.314 nan 8.250 nan 0.000 0.461 607 G N 0.502 109.238 108.800 -0.107 0.000 2.238 607 G HA2 -0.210 3.753 3.960 0.005 0.000 0.217 607 G HA3 -0.210 3.753 3.960 0.005 0.000 0.217 607 G C 0.479 175.320 174.900 -0.098 0.000 0.996 607 G CA 0.277 45.316 45.100 -0.101 0.000 0.632 607 G HN 0.363 nan 8.290 nan 0.000 0.503 608 D N 0.487 120.822 120.400 -0.108 0.000 2.228 608 D HA -0.041 4.602 4.640 0.005 0.000 0.203 608 D C 1.268 177.483 176.300 -0.142 0.000 0.988 608 D CA 1.120 55.050 54.000 -0.116 0.000 0.864 608 D CB 0.226 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 1.299 121.770 120.570 -0.165 0.000 2.389 609 I HA 0.068 4.242 4.170 0.005 0.000 0.288 609 I C 0.397 176.442 176.117 -0.120 0.000 0.999 609 I CA -0.919 60.282 61.300 -0.166 0.000 1.129 609 I CB 1.537 39.404 38.000 -0.223 0.000 1.288 609 I HN -0.240 nan 8.210 nan 0.000 0.444 610 N N 8.229 126.874 118.700 -0.092 0.000 2.217 610 N HA -0.060 4.683 4.740 0.005 0.000 0.268 610 N C -1.719 173.752 175.510 -0.065 0.000 1.290 610 N CA -0.607 52.403 53.050 -0.067 0.000 0.831 610 N CB 1.108 39.561 38.487 -0.057 0.000 1.057 610 N HN 0.327 nan 8.380 nan 0.000 0.481 611 P HA -0.149 nan 4.420 nan 0.000 0.218 611 P C 0.739 178.028 177.300 -0.017 0.000 1.146 611 P CA 1.308 64.391 63.100 -0.029 0.000 0.813 611 P CB 0.294 31.993 31.700 -0.001 0.000 0.778 612 E N -0.541 119.623 120.200 -0.059 0.000 2.031 612 E HA -0.090 4.263 4.350 0.005 0.000 0.193 612 E C 0.366 176.860 176.600 -0.176 0.000 0.994 612 E CA 0.581 56.844 56.400 -0.229 0.000 0.800 612 E CB -0.602 29.010 29.700 -0.146 0.000 0.752 612 E HN -0.009 nan 8.360 nan 0.000 0.447 613 V N 3.053 122.913 119.914 -0.089 0.000 2.717 613 V HA -0.124 3.999 4.120 0.005 0.000 0.302 613 V C 0.463 176.539 176.094 -0.031 0.000 1.097 613 V CA 0.468 62.742 62.300 -0.043 0.000 1.262 613 V CB -0.167 31.626 31.823 -0.050 0.000 0.846 613 V HN 0.211 nan 8.190 nan 0.000 0.485 614 S N 6.212 121.931 115.700 0.033 0.000 2.525 614 S HA 0.850 5.323 4.470 0.005 0.000 0.290 614 S C -0.721 173.924 174.600 0.075 0.000 1.152 614 S CA -0.976 57.260 58.200 0.060 0.000 1.072 614 S CB 1.579 64.848 63.200 0.114 0.000 1.027 614 S HN 0.601 nan 8.310 nan 0.000 0.500 615 M N 2.855 122.483 119.600 0.046 0.000 2.204 615 M HA 0.475 4.958 4.480 0.005 0.000 0.293 615 M C -1.769 174.555 176.300 0.040 0.000 0.994 615 M CA -0.494 54.819 55.300 0.022 0.000 0.925 615 M CB 1.679 34.272 32.600 -0.012 0.000 1.577 615 M HN 0.524 nan 8.290 nan 0.000 0.439 616 I N 2.646 123.237 120.570 0.035 0.000 2.474 616 I HA 0.518 4.691 4.170 0.005 0.000 0.294 616 I C -0.225 175.908 176.117 0.028 0.000 1.005 616 I CA -0.441 60.885 61.300 0.044 0.000 1.113 616 I CB 1.941 39.976 38.000 0.058 0.000 1.289 616 I HN 0.634 nan 8.210 nan 0.000 0.436 617 R N 4.045 124.568 120.500 0.037 0.000 2.412 617 R HA 0.240 4.584 4.340 0.005 0.000 0.304 617 R C -0.941 175.380 176.300 0.035 0.000 1.066 617 R CA -0.424 55.697 56.100 0.035 0.000 0.923 617 R CB 0.686 31.010 30.300 0.040 0.000 1.156 617 R HN 0.636 nan 8.270 nan 0.000 0.513 618 D N 6.592 127.008 120.400 0.027 0.000 2.551 618 D HA 0.041 4.684 4.640 0.005 0.000 0.223 618 D C 1.575 177.892 176.300 0.028 0.000 1.144 618 D CA -0.067 53.948 54.000 0.026 0.000 1.025 618 D CB 0.219 41.028 40.800 0.015 0.000 1.085 618 D HN 0.645 nan 8.370 nan 0.000 0.506 619 I N 1.732 122.320 120.570 0.031 0.000 2.132 619 I HA -0.428 3.745 4.170 0.005 0.000 0.238 619 I C 2.110 178.244 176.117 0.028 0.000 1.012 619 I CA 1.592 62.909 61.300 0.029 0.000 1.288 619 I CB -0.161 37.856 38.000 0.028 0.000 0.997 619 I HN 0.258 nan 8.210 nan 0.000 0.402 620 R N 0.051 120.567 120.500 0.027 0.000 2.328 620 R HA -0.131 4.212 4.340 0.005 0.000 0.207 620 R C 1.693 178.013 176.300 0.033 0.000 1.056 620 R CA 0.651 56.768 56.100 0.027 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 0.673 120.893 120.200 0.034 0.000 2.481 621 E HA 0.067 4.420 4.350 0.005 0.000 0.198 621 E C -0.504 176.128 176.600 0.053 0.000 1.027 621 E CA 0.023 56.450 56.400 0.044 0.000 0.900 621 E CB 0.247 29.967 29.700 0.034 0.000 0.993 621 E HN 0.007 nan 8.360 nan 0.000 0.482 622 K N 1.129 121.554 120.400 0.042 0.000 3.150 622 K HA -0.212 4.111 4.320 0.005 0.000 0.267 622 K C -0.907 175.712 176.600 0.032 0.000 1.028 622 K CA 0.870 57.178 56.287 0.035 0.000 0.753 622 K CB -1.417 31.106 32.500 0.039 0.000 1.288 622 K HN 0.278 nan 8.250 nan 0.000 0.473 623 E N 0.435 120.658 120.200 0.038 0.000 2.317 623 E HA 0.506 4.859 4.350 0.005 0.000 0.270 623 E C -1.220 175.411 176.600 0.052 0.000 0.885 623 E CA -1.194 55.238 56.400 0.054 0.000 0.760 623 E CB 1.962 31.681 29.700 0.032 0.000 1.227 623 E HN 0.045 nan 8.360 nan 0.000 0.434 624 L N 2.168 123.441 121.223 0.083 0.000 2.457 624 L HA 0.379 4.722 4.340 0.005 0.000 0.266 624 L C -1.496 175.406 176.870 0.053 0.000 0.979 624 L CA -0.505 54.368 54.840 0.054 0.000 0.857 624 L CB 1.050 43.143 42.059 0.055 0.000 1.213 624 L HN 0.398 nan 8.230 nan 0.000 0.418 625 K N 6.645 127.027 120.400 -0.029 0.000 2.293 625 K HA 0.596 4.919 4.320 0.005 0.000 0.267 625 K C -0.967 175.496 176.600 -0.229 0.000 1.010 625 K CA -0.498 55.688 56.287 -0.167 0.000 0.875 625 K CB 1.976 34.297 32.500 -0.297 0.000 1.106 625 K HN 0.555 nan 8.250 nan 0.000 0.450 626 I N 3.596 124.007 120.570 -0.265 0.000 2.377 626 I HA 0.364 4.537 4.170 0.005 0.000 0.293 626 I C -0.639 175.307 176.117 -0.285 0.000 0.987 626 I CA -0.717 60.473 61.300 -0.183 0.000 1.185 626 I CB 0.859 38.795 38.000 -0.107 0.000 1.341 626 I HN 0.411 nan 8.210 nan 0.000 0.455 627 F N 3.372 123.320 119.950 -0.003 0.000 2.507 627 F HA 0.324 4.854 4.527 0.005 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 2.203 41.195 39.000 -0.013 0.000 1.146 627 F HN 0.388 nan 8.300 nan 0.000 0.447 628 T N -0.403 114.278 114.554 0.212 0.000 3.003 628 T HA 0.017 4.370 4.350 0.005 0.000 0.261 628 T C 0.139 174.883 174.700 0.074 0.000 1.003 628 T CA -0.284 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 2.339 122.808 120.400 0.114 0.000 2.567 629 D HA 0.176 4.819 4.640 0.005 0.000 0.228 629 D C 0.013 176.315 176.300 0.003 0.000 1.185 629 D CA 0.504 54.532 54.000 0.046 0.000 0.874 629 D CB 0.512 41.309 40.800 -0.006 0.000 1.219 629 D HN 0.378 nan 8.370 nan 0.000 0.494 630 A N 0.528 123.345 122.820 -0.006 0.000 2.317 630 A HA 0.631 4.954 4.320 0.005 0.000 0.327 630 A C 0.756 178.324 177.584 -0.027 0.000 1.178 630 A CA 0.188 52.219 52.037 -0.009 0.000 0.817 630 A CB 1.398 20.398 19.000 -0.000 0.000 1.189 630 A HN 0.800 nan 8.150 nan 0.000 0.489 631 G N 1.618 110.403 108.800 -0.026 0.000 2.151 631 G HA2 -0.135 3.828 3.960 0.005 0.000 0.156 631 G HA3 -0.135 3.828 3.960 0.005 0.000 0.156 631 G C -0.119 174.722 174.900 -0.098 0.000 1.017 631 G CA -0.266 44.799 45.100 -0.058 0.000 0.686 631 G HN 0.854 nan 8.290 nan 0.000 0.503 632 R N 0.097 120.564 120.500 -0.056 0.000 2.295 632 R HA 0.572 4.915 4.340 0.005 0.000 0.324 632 R C 0.361 176.675 176.300 0.023 0.000 0.968 632 R CA -0.742 55.313 56.100 -0.075 0.000 0.837 632 R CB 2.191 32.454 30.300 -0.062 0.000 1.133 632 R HN 0.087 nan 8.270 nan 0.000 0.450 633 V N 4.631 124.509 119.914 -0.060 0.000 2.686 633 V HA 0.206 4.329 4.120 0.005 0.000 0.295 633 V C -0.331 175.835 176.094 0.120 0.000 1.055 633 V CA 0.025 62.320 62.300 -0.008 0.000 1.050 633 V CB 0.025 31.901 31.823 0.089 0.000 0.984 633 V HN 0.736 nan 8.190 nan 0.000 0.482 634 Y N 3.084 123.381 120.300 -0.004 0.000 2.670 634 Y HA 0.880 5.433 4.550 0.005 0.000 0.334 634 Y C -0.655 175.237 175.900 -0.013 0.000 1.185 634 Y CA -1.807 56.299 58.100 0.009 0.000 1.053 634 Y CB 1.527 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 0.844 121.479 120.500 0.226 0.000 2.774 635 R HA 0.683 5.026 4.340 0.005 0.000 0.272 635 R C -3.373 173.088 176.300 0.268 0.000 1.000 635 R CA -1.969 54.187 56.100 0.094 0.000 0.906 635 R CB 2.547 32.834 30.300 -0.020 0.000 1.227 635 R HN 0.499 nan 8.270 nan 0.000 0.468 636 P HA 0.367 nan 4.420 nan 0.000 0.277 636 P C -0.705 176.624 177.300 0.049 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 -1.868 119.342 121.223 -0.023 0.000 2.789 637 L HA 0.304 4.647 4.340 0.005 0.000 0.254 637 L C -0.424 176.395 176.870 -0.085 0.000 0.952 637 L CA -0.692 54.101 54.840 -0.079 0.000 0.942 637 L CB 1.114 43.199 42.059 0.043 0.000 1.502 637 L HN 0.234 nan 8.230 nan 0.000 0.425 638 F N 2.154 122.145 119.950 0.068 0.000 2.418 638 F HA 0.412 4.942 4.527 0.005 0.000 0.341 638 F C 0.714 176.535 175.800 0.034 0.000 1.120 638 F CA -0.158 57.856 58.000 0.024 0.000 1.232 638 F CB 0.733 39.733 39.000 0.001 0.000 1.175 638 F HN 0.130 nan 8.300 nan 0.000 0.569 639 I N 2.028 122.705 120.570 0.178 0.000 2.677 639 I HA 0.161 4.334 4.170 0.005 0.000 0.305 639 I C 0.379 176.497 176.117 0.001 0.000 0.988 639 I CA -0.304 61.005 61.300 0.015 0.000 1.260 639 I CB 1.699 39.679 38.000 -0.034 0.000 1.410 639 I HN 0.430 nan 8.210 nan 0.000 0.523 640 V N 1.170 121.039 119.914 -0.074 0.000 3.562 640 V HA 0.063 4.186 4.120 0.005 0.000 0.270 640 V C 0.246 176.334 176.094 -0.009 0.000 1.418 640 V CA -0.165 62.127 62.300 -0.013 0.000 1.033 640 V CB -0.298 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 3.244 123.418 120.200 -0.043 0.000 3.127 641 E HA -0.234 4.119 4.350 0.005 0.000 0.299 641 E C 1.064 177.662 176.600 -0.003 0.000 0.757 641 E CA 0.979 57.364 56.400 -0.025 0.000 1.106 641 E CB 0.036 29.716 29.700 -0.033 0.000 0.714 641 E HN 0.757 nan 8.360 nan 0.000 0.498 642 D N 2.272 122.678 120.400 0.011 0.000 2.315 642 D HA -0.230 4.413 4.640 0.005 0.000 0.211 642 D C -0.098 176.196 176.300 -0.009 0.000 0.977 642 D CA 0.509 54.518 54.000 0.014 0.000 0.894 642 D CB -0.108 40.708 40.800 0.027 0.000 0.910 642 D HN 0.251 nan 8.370 nan 0.000 0.490 643 D N 1.807 122.201 120.400 -0.009 0.000 2.661 643 D HA -0.042 4.601 4.640 0.005 0.000 0.283 643 D C -0.099 176.185 176.300 -0.026 0.000 1.470 643 D CA 0.962 54.954 54.000 -0.014 0.000 1.126 643 D CB -0.011 40.783 40.800 -0.009 0.000 1.145 643 D HN 0.369 nan 8.370 nan 0.000 0.572 644 E N 0.791 120.966 120.200 -0.040 0.000 2.558 644 E HA -0.005 4.348 4.350 0.005 0.000 0.345 644 E C 0.761 177.317 176.600 -0.073 0.000 0.928 644 E CA -0.090 56.271 56.400 -0.065 0.000 0.774 644 E CB 1.009 30.645 29.700 -0.107 0.000 1.462 644 E HN 0.270 nan 8.360 nan 0.000 0.387 645 S N 3.218 118.888 115.700 -0.050 0.000 2.359 645 S HA -0.105 4.368 4.470 0.005 0.000 0.224 645 S C 1.406 175.973 174.600 -0.055 0.000 1.035 645 S CA 0.592 58.768 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 4.629 4.340 0.005 0.000 0.241 646 L C 0.988 177.776 176.870 -0.135 0.000 1.441 646 L CA 0.199 54.996 54.840 -0.072 0.000 1.181 646 L CB -1.775 40.251 42.059 -0.055 0.000 1.451 646 L HN 0.702 nan 8.230 nan 0.000 0.446 647 G N 1.697 110.420 108.800 -0.127 0.000 3.295 647 G HA2 -0.177 3.786 3.960 0.005 0.000 0.686 647 G HA3 -0.177 3.786 3.960 0.005 0.000 0.686 647 G C 0.259 174.831 174.900 -0.548 0.000 0.958 647 G CA -0.289 44.711 45.100 -0.167 0.000 0.787 647 G HN 0.969 nan 8.290 nan 0.000 0.523 648 H N -0.733 118.348 119.070 0.017 0.000 1.452 648 H HA -0.228 4.332 4.556 0.005 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 -0.641 29.139 29.762 0.030 0.000 2.257 648 H HN 1.047 nan 8.280 nan 0.000 0.961 649 K N 1.335 121.893 120.400 0.263 0.000 2.213 649 K HA 0.429 4.752 4.320 0.005 0.000 0.270 649 K C -0.623 176.123 176.600 0.244 0.000 1.002 649 K CA -0.177 56.214 56.287 0.173 0.000 0.868 649 K CB 1.203 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 2.926 123.191 120.200 0.108 0.000 2.367 650 E HA 0.337 4.691 4.350 0.005 0.000 0.273 650 E C -1.255 175.372 176.600 0.044 0.000 0.903 650 E CA -0.705 55.752 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 3.899 125.134 121.223 0.019 0.000 2.453 651 L HA 0.185 4.528 4.340 0.005 0.000 0.272 651 L C 1.446 178.312 176.870 -0.007 0.000 1.182 651 L CA -0.011 54.820 54.840 -0.015 0.000 0.858 651 L CB 0.446 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 1.755 122.157 120.400 0.004 0.000 2.097 652 K HA -0.055 4.268 4.320 0.005 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 -0.008 32.482 32.500 -0.017 0.000 0.717 652 K HN 0.388 nan 8.250 nan 0.000 0.442 653 V N 2.115 122.027 119.914 -0.002 0.000 3.096 653 V HA 0.006 4.129 4.120 0.005 0.000 0.306 653 V C 0.632 176.805 176.094 0.132 0.000 1.088 653 V CA 0.195 62.513 62.300 0.030 0.000 1.129 653 V CB 0.761 32.596 31.823 0.020 0.000 1.014 653 V HN 0.296 nan 8.190 nan 0.000 0.486 654 R N 1.421 122.110 120.500 0.314 0.000 2.752 654 R HA 0.301 4.644 4.340 0.005 0.000 0.271 654 R C 0.834 177.199 176.300 0.109 0.000 1.026 654 R CA -0.882 55.310 56.100 0.155 0.000 0.901 654 R CB 1.196 31.561 30.300 0.109 0.000 1.243 654 R HN 0.662 nan 8.270 nan 0.000 0.463 655 K N 0.736 121.160 120.400 0.042 0.000 2.113 655 K HA -0.143 4.181 4.320 0.005 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 1.035 109.796 108.800 -0.065 0.000 2.514 656 G HA2 -0.291 3.672 3.960 0.005 0.000 0.217 656 G HA3 -0.291 3.672 3.960 0.005 0.000 0.217 656 G C 1.242 176.040 174.900 -0.169 0.000 1.198 656 G CA 1.216 46.216 45.100 -0.168 0.000 0.780 656 G HN 0.437 nan 8.290 nan 0.000 0.565 657 H N 0.368 119.438 119.070 0.000 0.000 2.422 657 H HA 0.015 4.574 4.556 0.005 0.000 0.298 657 H C 2.683 178.084 175.328 0.122 0.000 1.098 657 H CA 1.108 57.175 56.048 0.031 0.000 1.315 657 H CB -0.076 29.780 29.762 0.157 0.000 1.382 657 H HN 0.355 nan 8.280 nan 0.000 0.523 658 I N 0.506 121.210 120.570 0.224 0.000 2.353 658 I HA -0.165 4.008 4.170 0.005 0.000 0.248 658 I C 2.740 178.955 176.117 0.163 0.000 1.119 658 I CA 0.755 62.185 61.300 0.217 0.000 1.417 658 I CB -0.269 37.837 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 4.083 4.320 0.005 0.000 0.219 659 A C 2.340 179.958 177.584 0.057 0.000 1.169 659 A CA 1.615 53.686 52.037 0.057 0.000 0.635 659 A CB -0.425 18.580 19.000 0.009 0.000 0.810 659 A HN 0.317 nan 8.150 nan 0.000 0.446 660 K N -0.617 119.795 120.400 0.020 0.000 2.155 660 K HA 0.082 4.405 4.320 0.005 0.000 0.203 660 K C 1.780 178.489 176.600 0.183 0.000 1.052 660 K CA 0.726 56.980 56.287 -0.054 0.000 0.948 660 K CB -0.181 32.068 32.500 -0.420 0.000 0.728 660 K HN 0.493 nan 8.250 nan 0.000 0.448 661 L N 0.172 121.602 121.223 0.346 0.000 2.049 661 L HA -0.093 4.250 4.340 0.005 0.000 0.203 661 L C 2.455 179.497 176.870 0.287 0.000 1.074 661 L CA 1.040 56.139 54.840 0.431 0.000 0.749 661 L CB -0.213 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 -0.718 119.021 119.600 0.233 0.000 2.267 662 M HA -0.200 4.283 4.480 0.005 0.000 0.263 662 M C 2.412 178.829 176.300 0.194 0.000 1.063 662 M CA 1.453 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 0.313 123.236 122.820 0.171 0.000 1.873 663 A HA -0.203 4.121 4.320 0.005 0.000 0.218 663 A C 2.183 179.888 177.584 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 0.438 nan 8.150 nan 0.000 0.447 664 T N -0.314 114.364 114.554 0.207 0.000 2.788 664 T HA -0.127 4.226 4.350 0.005 0.000 0.268 664 T C 1.765 176.571 174.700 0.176 0.000 1.044 664 T CA 1.556 63.770 62.100 0.190 0.000 1.139 664 T CB -0.256 68.736 68.868 0.205 0.000 0.867 664 T HN 0.627 nan 8.240 nan 0.000 0.454 665 E N -0.013 120.306 120.200 0.199 0.000 2.031 665 E HA -0.164 4.189 4.350 0.005 0.000 0.193 665 E C 1.953 178.655 176.600 0.171 0.000 0.994 665 E CA 1.202 57.711 56.400 0.182 0.000 0.800 665 E CB -0.305 29.516 29.700 0.202 0.000 0.752 665 E HN 0.502 nan 8.360 nan 0.000 0.447 666 Y N 2.037 122.388 120.300 0.086 0.000 2.181 666 Y HA -0.251 4.302 4.550 0.006 0.000 0.284 666 Y C 1.658 177.593 175.900 0.058 0.000 1.179 666 Y CA 1.647 59.787 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 4.343 4.340 0.005 0.000 0.213 667 Q C -0.679 175.282 176.000 -0.066 0.000 0.950 667 Q CA 0.369 56.142 55.803 -0.051 0.000 0.979 667 Q CB -0.199 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 3.461 123.808 120.300 0.079 0.000 2.518 679 Y HA 0.410 4.963 4.550 0.005 0.000 0.344 679 Y C 0.169 176.131 175.900 0.103 0.000 0.982 679 Y CA -0.338 57.813 58.100 0.085 0.000 1.234 679 Y CB 0.582 39.102 38.460 0.099 0.000 1.114 679 Y HN 0.030 nan 8.280 nan 0.000 0.515 680 T N 3.934 118.419 114.554 -0.115 0.000 2.865 680 T HA -0.050 4.303 4.350 0.005 0.000 0.302 680 T C 0.995 175.608 174.700 -0.145 0.000 1.078 680 T CA -0.487 61.574 62.100 -0.064 0.000 0.942 680 T CB 0.600 69.460 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 4.748 4.660 0.005 0.000 0.266 681 W C 1.547 177.970 176.519 -0.160 0.000 1.266 681 W CA 0.370 57.628 57.345 -0.145 0.000 1.377 681 W CB -0.450 28.955 29.460 -0.092 0.000 1.082 681 W HN 0.523 nan 8.180 nan 0.000 0.608 682 S N 0.989 116.584 115.700 -0.175 0.000 2.428 682 S HA -0.173 4.301 4.470 0.005 0.000 0.230 682 S C 2.057 176.461 174.600 -0.327 0.000 1.014 682 S CA 1.711 59.757 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 2.255 117.751 115.700 -0.340 0.000 2.368 683 S HA -0.004 4.469 4.470 0.005 0.000 0.225 683 S C 1.789 176.158 174.600 -0.384 0.000 1.030 683 S CA 0.844 58.847 58.200 -0.327 0.000 0.999 683 S CB -0.710 62.214 63.200 -0.459 0.000 0.844 683 S HN 0.414 nan 8.310 nan 0.000 0.459 684 L N 0.373 121.256 121.223 -0.566 0.000 2.046 684 L HA -0.022 4.321 4.340 0.005 0.000 0.208 684 L C 2.617 179.175 176.870 -0.519 0.000 1.077 684 L CA 0.899 55.438 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 -0.051 120.764 121.223 -0.679 0.000 2.093 685 L HA -0.130 4.213 4.340 0.005 0.000 0.208 685 L C 2.224 178.877 176.870 -0.362 0.000 1.085 685 L CA 1.720 56.199 54.840 -0.602 0.000 0.755 685 L CB -0.707 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 -0.031 118.500 118.700 -0.283 0.000 2.173 686 N HA -0.113 4.630 4.740 0.005 0.000 0.184 686 N C 1.286 176.712 175.510 -0.139 0.000 1.025 686 N CA 1.119 54.063 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 0.482 nan 8.380 nan 0.000 0.427 687 E N 0.700 120.822 120.200 -0.129 0.000 2.482 687 E HA 0.076 4.429 4.350 0.005 0.000 0.200 687 E C 0.283 176.813 176.600 -0.116 0.000 1.147 687 E CA -0.174 56.178 56.400 -0.080 0.000 0.912 687 E CB -0.492 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 1.315 110.022 108.800 -0.155 0.000 2.356 688 G HA2 -0.280 3.683 3.960 0.005 0.000 0.296 688 G HA3 -0.280 3.683 3.960 0.005 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 -0.153 0.000 0.961 688 G HN 0.372 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 4.704 4.340 0.005 0.000 0.230 689 L C 0.573 177.381 176.870 -0.105 0.000 1.123 689 L CA -0.001 54.751 54.840 -0.147 0.000 0.900 689 L CB 0.272 42.205 42.059 -0.210 0.000 1.146 689 L HN 0.199 nan 8.230 nan 0.000 0.484 690 V N -1.779 118.009 119.914 -0.210 0.000 3.216 690 V HA 0.464 4.587 4.120 0.005 0.000 0.302 690 V C -0.954 174.992 176.094 -0.246 0.000 1.286 690 V CA -0.936 61.225 62.300 -0.232 0.000 1.048 690 V CB 2.853 34.403 31.823 -0.454 0.000 1.081 690 V HN -0.019 nan 8.190 nan 0.000 0.442 691 E N -0.129 119.974 120.200 -0.162 0.000 2.433 691 E HA 0.491 4.844 4.350 0.005 0.000 0.278 691 E C -2.042 174.542 176.600 -0.028 0.000 0.976 691 E CA -0.749 55.563 56.400 -0.146 0.000 0.793 691 E CB 3.123 32.830 29.700 0.011 0.000 1.311 691 E HN 0.709 nan 8.360 nan 0.000 0.460 692 Y N 1.528 121.838 120.300 0.017 0.000 2.434 692 Y HA 0.411 4.964 4.550 0.005 0.000 0.341 692 Y C 0.014 175.897 175.900 -0.029 0.000 0.965 692 Y CA -0.690 57.433 58.100 0.039 0.000 1.205 692 Y CB 0.771 39.116 38.460 -0.193 0.000 1.121 692 Y HN 0.163 nan 8.280 nan 0.000 0.507 693 I N 4.930 125.642 120.570 0.236 0.000 2.378 693 I HA 0.179 4.352 4.170 0.005 0.000 0.291 693 I C -0.538 175.696 176.117 0.195 0.000 0.992 693 I CA -0.826 60.550 61.300 0.126 0.000 1.154 693 I CB 1.389 39.396 38.000 0.012 0.000 1.315 693 I HN 0.603 nan 8.210 nan 0.000 0.448 694 D N 5.527 126.021 120.400 0.156 0.000 2.326 694 D HA 0.275 4.918 4.640 0.005 0.000 0.251 694 D C 0.862 177.256 176.300 0.157 0.000 1.023 694 D CA -0.645 53.465 54.000 0.183 0.000 0.966 694 D CB 1.912 42.789 40.800 0.128 0.000 1.156 694 D HN 0.530 nan 8.370 nan 0.000 0.494 695 A N 0.667 123.605 122.820 0.197 0.000 2.042 695 A HA -0.288 4.035 4.320 0.005 0.000 0.222 695 A C 1.920 179.652 177.584 0.246 0.000 1.167 695 A CA 2.157 54.344 52.037 0.250 0.000 0.649 695 A CB -0.750 18.462 19.000 0.355 0.000 0.809 695 A HN 0.677 nan 8.150 nan 0.000 0.457 696 E N -0.058 120.229 120.200 0.145 0.000 2.028 696 E HA -0.148 4.205 4.350 0.005 0.000 0.190 696 E C 1.960 178.624 176.600 0.108 0.000 0.984 696 E CA 1.608 58.063 56.400 0.092 0.000 0.800 696 E CB -0.343 29.386 29.700 0.049 0.000 0.758 696 E HN 0.690 nan 8.360 nan 0.000 0.448 697 E N 0.023 120.286 120.200 0.104 0.000 2.204 697 E HA -0.209 4.144 4.350 0.005 0.000 0.194 697 E C 1.862 178.499 176.600 0.062 0.000 0.989 697 E CA 0.847 57.297 56.400 0.082 0.000 0.824 697 E CB -0.048 29.694 29.700 0.070 0.000 0.756 697 E HN 0.342 nan 8.360 nan 0.000 0.477 698 E N 0.501 120.743 120.200 0.070 0.000 2.130 698 E HA -0.249 4.104 4.350 0.005 0.000 0.196 698 E C 1.781 178.418 176.600 0.062 0.000 0.998 698 E CA 1.210 57.639 56.400 0.048 0.000 0.806 698 E CB 0.116 29.871 29.700 0.092 0.000 0.738 698 E HN 0.233 nan 8.360 nan 0.000 0.459 699 E N 0.025 120.285 120.200 0.100 0.000 2.130 699 E HA -0.179 4.174 4.350 0.005 0.000 0.196 699 E C 1.890 178.532 176.600 0.070 0.000 0.998 699 E CA 1.502 57.961 56.400 0.097 0.000 0.806 699 E CB -0.187 29.583 29.700 0.115 0.000 0.738 699 E HN 0.292 nan 8.360 nan 0.000 0.459 700 S N 0.124 115.866 115.700 0.070 0.000 2.614 700 S HA 0.199 4.672 4.470 0.005 0.000 0.230 700 S C 0.835 175.494 174.600 0.099 0.000 0.952 700 S CA -0.585 57.660 58.200 0.074 0.000 0.949 700 S CB -0.773 62.470 63.200 0.073 0.000 0.786 700 S HN 0.271 nan 8.310 nan 0.000 0.478 701 I N -2.401 118.228 120.570 0.099 0.000 2.892 701 I HA 0.774 4.947 4.170 0.005 0.000 0.306 701 I C -1.517 174.697 176.117 0.161 0.000 1.078 701 I CA -1.697 59.704 61.300 0.168 0.000 1.032 701 I CB 1.859 39.942 38.000 0.137 0.000 1.229 701 I HN 0.031 nan 8.210 nan 0.000 0.435 702 L N 4.919 126.290 121.223 0.247 0.000 2.313 702 L HA 0.628 4.971 4.340 0.005 0.000 0.283 702 L C -0.945 176.112 176.870 0.313 0.000 1.013 702 L CA -0.363 54.639 54.840 0.270 0.000 0.816 702 L CB 1.412 43.658 42.059 0.312 0.000 1.236 702 L HN 0.514 nan 8.230 nan 0.000 0.419 703 I N 4.886 125.555 120.570 0.166 0.000 2.410 703 I HA 0.581 4.754 4.170 0.005 0.000 0.286 703 I C 0.086 176.017 176.117 -0.310 0.000 1.009 703 I CA -0.777 60.509 61.300 -0.022 0.000 1.111 703 I CB 1.755 39.748 38.000 -0.011 0.000 1.262 703 I HN 0.705 nan 8.210 nan 0.000 0.443 704 A N 5.393 127.732 122.820 -0.801 0.000 2.363 704 A HA 0.447 4.770 4.320 0.005 0.000 0.270 704 A C 0.737 178.108 177.584 -0.354 0.000 1.121 704 A CA -0.390 51.062 52.037 -0.975 0.000 0.800 704 A CB 0.945 19.085 19.000 -1.433 0.000 1.052 704 A HN 0.854 nan 8.150 nan 0.000 0.493 705 M N 1.070 120.543 119.600 -0.212 0.000 2.074 705 M HA -0.033 4.450 4.480 0.005 0.000 0.258 705 M C 1.067 177.298 176.300 -0.115 0.000 1.083 705 M CA 1.851 57.085 55.300 -0.111 0.000 1.128 705 M CB -0.239 32.308 32.600 -0.089 0.000 1.301 705 M HN 0.785 nan 8.290 nan 0.000 0.417 706 Q N 0.172 119.904 119.800 -0.114 0.000 2.230 706 Q HA 0.203 4.546 4.340 0.005 0.000 0.253 706 Q C -1.856 174.078 176.000 -0.109 0.000 0.919 706 Q CA -1.839 53.903 55.803 -0.102 0.000 0.908 706 Q CB 1.454 30.151 28.738 -0.068 0.000 1.245 706 Q HN 0.173 nan 8.270 nan 0.000 0.437 707 P HA -0.219 nan 4.420 nan 0.000 0.212 707 P C 0.484 177.725 177.300 -0.098 0.000 1.179 707 P CA 1.274 64.302 63.100 -0.121 0.000 0.898 707 P CB 0.133 31.731 31.700 -0.169 0.000 0.775 708 E N 1.176 121.327 120.200 -0.082 0.000 1.986 708 E HA -0.271 4.082 4.350 0.005 0.000 0.229 708 E C 1.631 178.162 176.600 -0.115 0.000 0.997 708 E CA 1.570 57.926 56.400 -0.074 0.000 0.894 708 E CB -1.872 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 4.477 4.640 0.005 0.000 0.218 709 D C 1.394 177.547 176.300 -0.246 0.000 0.978 709 D CA 1.037 54.953 54.000 -0.139 0.000 0.983 709 D CB -0.010 40.754 40.800 -0.060 0.000 0.862 709 D HN 0.339 nan 8.370 nan 0.000 0.498 710 L N -0.589 120.514 121.223 -0.200 0.000 3.016 710 L HA 0.221 4.564 4.340 0.005 0.000 0.267 710 L C 0.433 177.295 176.870 -0.013 0.000 1.182 710 L CA 0.123 54.894 54.840 -0.116 0.000 0.997 710 L CB 0.642 42.722 42.059 0.036 0.000 1.354 710 L HN -0.210 nan 8.230 nan 0.000 0.569 711 E N 1.257 121.381 120.200 -0.126 0.000 3.428 711 E HA 0.210 4.563 4.350 0.005 0.000 0.191 711 E C -2.429 174.080 176.600 -0.153 0.000 0.980 711 E CA -0.725 55.657 56.400 -0.030 0.000 1.305 711 E CB 1.383 31.110 29.700 0.045 0.000 1.105 711 E HN 0.202 nan 8.360 nan 0.000 0.455 712 P HA 0.497 nan 4.420 nan 0.000 0.292 712 P C -1.064 176.214 177.300 -0.036 0.000 1.313 712 P CA -0.652 62.351 63.100 -0.162 0.000 0.965 712 P CB 1.824 33.430 31.700 -0.158 0.000 1.303 713 A N 0.556 123.354 122.820 -0.037 0.000 2.309 713 A HA 0.320 4.643 4.320 0.005 0.000 0.298 713 A C 0.208 177.826 177.584 0.057 0.000 1.165 713 A CA -0.594 51.458 52.037 0.025 0.000 0.821 713 A CB 0.002 18.988 19.000 -0.023 0.000 1.102 713 A HN 0.628 nan 8.150 nan 0.000 0.500 714 E N 2.093 122.330 120.200 0.062 0.000 2.265 714 E HA 0.407 4.760 4.350 0.005 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 -0.018 0.000 1.017 714 E HN 0.788 nan 8.360 nan 0.000 0.431 723 V N 2.608 122.537 119.914 0.024 0.000 2.432 723 V HA 0.253 4.376 4.120 0.005 0.000 0.275 723 V C 0.457 176.568 176.094 0.029 0.000 1.043 723 V CA -0.769 61.548 62.300 0.028 0.000 0.925 723 V CB 1.746 33.587 31.823 0.029 0.000 0.985 723 V HN 0.009 nan 8.190 nan 0.000 0.466 724 D N 7.551 127.971 120.400 0.033 0.000 2.554 724 D HA -0.002 4.641 4.640 0.005 0.000 0.251 724 D C -0.893 175.428 176.300 0.035 0.000 1.213 724 D CA -0.940 53.081 54.000 0.035 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 0.613 177.933 177.300 0.033 0.000 1.151 725 P CA 0.497 63.616 63.100 0.030 0.000 0.770 725 P CB 0.332 32.047 31.700 0.026 0.000 0.786 726 A N -0.554 122.288 122.820 0.037 0.000 2.220 726 A HA 0.104 4.428 4.320 0.005 0.000 0.211 726 A C 1.097 178.711 177.584 0.050 0.000 1.176 726 A CA 0.107 52.167 52.037 0.040 0.000 0.834 726 A CB -0.312 18.710 19.000 0.036 0.000 0.868 726 A HN 0.137 nan 8.150 nan 0.000 0.488 727 K N 1.420 121.852 120.400 0.054 0.000 2.185 727 K HA 0.288 4.611 4.320 0.005 0.000 0.271 727 K C 0.365 177.002 176.600 0.062 0.000 1.013 727 K CA -0.585 55.742 56.287 0.066 0.000 0.943 727 K CB 0.833 33.372 32.500 0.066 0.000 0.998 727 K HN 0.562 nan 8.250 nan 0.000 0.468 728 R N 1.797 122.339 120.500 0.070 0.000 2.893 728 R HA 0.167 4.510 4.340 0.005 0.000 0.279 728 R C -0.209 176.122 176.300 0.051 0.000 1.076 728 R CA -0.143 55.990 56.100 0.055 0.000 1.203 728 R CB -0.008 30.322 30.300 0.050 0.000 1.137 728 R HN 0.425 nan 8.270 nan 0.000 0.541 729 I N 0.555 121.151 120.570 0.042 0.000 2.377 729 I HA 0.381 4.554 4.170 0.005 0.000 0.293 729 I C 0.202 176.343 176.117 0.040 0.000 0.987 729 I CA -0.800 60.524 61.300 0.039 0.000 1.185 729 I CB 1.592 39.611 38.000 0.032 0.000 1.341 729 I HN 0.494 nan 8.210 nan 0.000 0.455 730 R N 3.736 124.261 120.500 0.043 0.000 2.740 730 R HA 0.598 4.941 4.340 0.005 0.000 0.282 730 R C 0.154 176.480 176.300 0.043 0.000 0.969 730 R CA -0.776 55.349 56.100 0.042 0.000 0.918 730 R CB 2.325 32.653 30.300 0.046 0.000 1.175 730 R HN 0.361 nan 8.270 nan 0.000 0.464 731 V N 0.272 120.212 119.914 0.043 0.000 2.239 731 V HA 0.086 4.209 4.120 0.005 0.000 0.147 731 V C 0.413 176.543 176.094 0.060 0.000 0.891 731 V CA 0.506 62.835 62.300 0.048 0.000 1.342 731 V CB 0.018 31.870 31.823 0.047 0.000 0.803 731 V HN 0.850 nan 8.190 nan 0.000 0.430 732 S N -1.084 114.656 115.700 0.067 0.000 2.638 732 S HA 0.408 4.881 4.470 0.005 0.000 0.274 732 S C -0.869 173.792 174.600 0.101 0.000 1.157 732 S CA -0.568 57.666 58.200 0.056 0.000 0.826 732 S CB 1.308 64.424 63.200 -0.140 0.000 1.139 732 S HN 0.798 nan 8.310 nan 0.000 0.474 733 H N 0.539 119.587 119.070 -0.037 0.000 2.799 733 H HA 0.292 4.851 4.556 0.005 0.000 0.225 733 H C -0.728 174.565 175.328 -0.058 0.000 1.904 733 H CA -0.237 55.844 56.048 0.056 0.000 1.344 733 H CB -0.975 28.851 29.762 0.108 0.000 1.744 733 H HN 0.461 nan 8.280 nan 0.000 0.542 734 H N 2.481 121.495 119.070 -0.094 0.000 3.008 734 H HA 0.519 5.078 4.556 0.005 0.000 0.268 734 H C -0.310 174.879 175.328 -0.232 0.000 1.323 734 H CA -0.034 55.906 56.048 -0.179 0.000 1.401 734 H CB 0.035 29.722 29.762 -0.125 0.000 1.556 734 H HN 0.828 nan 8.280 nan 0.000 0.502 735 A N 2.862 125.543 122.820 -0.231 0.000 2.401 735 A HA 0.131 4.454 4.320 0.005 0.000 0.313 735 A C -0.050 177.239 177.584 -0.491 0.000 1.013 735 A CA -0.747 51.026 52.037 -0.441 0.000 1.034 735 A CB 0.016 18.555 19.000 -0.770 0.000 1.324 735 A HN 0.388 nan 8.150 nan 0.000 0.366 736 T N 2.411 116.815 114.554 -0.249 0.000 3.540 736 T HA 0.425 4.778 4.350 0.005 0.000 0.269 736 T C 0.746 175.365 174.700 -0.135 0.000 1.481 736 T CA 0.900 62.908 62.100 -0.154 0.000 1.224 736 T CB -0.209 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 4.579 4.350 0.005 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 -0.014 68.807 68.868 -0.077 0.000 1.267 737 T HN 0.501 nan 8.240 nan 0.000 0.581 738 F N 3.223 123.199 119.950 0.043 0.000 2.480 738 F HA -0.112 4.418 4.527 0.005 0.000 0.409 738 F C 2.020 177.828 175.800 0.013 0.000 0.979 738 F CA 0.626 58.654 58.000 0.047 0.000 1.184 738 F CB 0.618 39.650 39.000 0.053 0.000 0.925 738 F HN 0.211 nan 8.300 nan 0.000 0.543 739 T N -1.308 113.373 114.554 0.212 0.000 2.955 739 T HA 0.219 4.573 4.350 0.005 0.000 0.251 739 T C -0.105 174.345 174.700 -0.417 0.000 1.002 739 T CA 0.004 62.052 62.100 -0.086 0.000 0.970 739 T CB 0.147 68.972 68.868 -0.071 0.000 1.091 739 T HN 0.595 nan 8.240 nan 0.000 0.495 740 H N -0.607 118.517 119.070 0.090 0.000 2.977 740 H HA 0.770 5.329 4.556 0.005 0.000 0.350 740 H C -1.248 174.065 175.328 -0.025 0.000 1.238 740 H CA -0.994 55.086 56.048 0.054 0.000 1.124 740 H CB 1.687 31.480 29.762 0.052 0.000 1.866 740 H HN 0.330 nan 8.280 nan 0.000 0.550 741 C N 1.016 120.414 119.300 0.163 0.000 2.783 741 C HA 0.501 4.964 4.460 0.005 0.000 0.312 741 C C -0.586 174.507 174.990 0.172 0.000 1.182 741 C CA -0.505 58.545 59.018 0.052 0.000 1.432 741 C CB 0.988 28.747 27.740 0.032 0.000 1.933 741 C HN 0.933 nan 8.230 nan 0.000 0.473 742 E N 3.023 123.276 120.200 0.087 0.000 2.376 742 E HA 0.178 4.532 4.350 0.005 0.000 0.266 742 E C 1.237 177.912 176.600 0.126 0.000 1.009 742 E CA -0.045 56.406 56.400 0.085 0.000 0.902 742 E CB 0.414 30.157 29.700 0.071 0.000 0.972 742 E HN 0.513 nan 8.360 nan 0.000 0.439 743 I N 2.599 123.129 120.570 -0.066 0.000 2.163 743 I HA -0.187 3.986 4.170 0.005 0.000 0.243 743 I C 0.654 176.804 176.117 0.054 0.000 1.085 743 I CA 1.673 62.881 61.300 -0.153 0.000 1.347 743 I CB -0.900 36.845 38.000 -0.425 0.000 1.044 743 I HN 0.646 nan 8.210 nan 0.000 0.408 744 H N -0.074 118.907 119.070 -0.148 0.000 3.218 744 H HA 0.105 4.664 4.556 0.005 0.000 0.300 744 H C -2.021 173.254 175.328 -0.089 0.000 1.304 744 H CA -0.756 55.197 56.048 -0.158 0.000 1.562 744 H CB 1.413 30.904 29.762 -0.451 0.000 2.216 744 H HN -0.255 nan 8.280 nan 0.000 0.371 745 P HA -0.298 nan 4.420 nan 0.000 0.219 745 P C 1.365 178.821 177.300 0.259 0.000 1.153 745 P CA 2.200 65.309 63.100 0.014 0.000 0.865 745 P CB 0.126 31.698 31.700 -0.212 0.000 0.788 746 S N -1.937 114.188 115.700 0.709 0.000 2.493 746 S HA -0.100 4.373 4.470 0.005 0.000 0.243 746 S C 1.772 176.488 174.600 0.195 0.000 0.991 746 S CA 0.941 59.445 58.200 0.507 0.000 0.957 746 S CB -0.985 62.485 63.200 0.449 0.000 0.756 746 S HN -0.025 nan 8.310 nan 0.000 0.521 747 M N 1.853 121.497 119.600 0.074 0.000 2.595 747 M HA 0.286 4.769 4.480 0.005 0.000 0.248 747 M C 1.826 178.027 176.300 -0.164 0.000 1.119 747 M CA 0.101 55.362 55.300 -0.067 0.000 1.079 747 M CB -1.221 31.287 32.600 -0.153 0.000 1.472 747 M HN 0.614 nan 8.290 nan 0.000 0.501 748 I N -2.573 117.843 120.570 -0.255 0.000 2.916 748 I HA -0.072 4.101 4.170 0.005 0.000 0.267 748 I C 0.851 176.818 176.117 -0.249 0.000 1.263 748 I CA 0.307 61.343 61.300 -0.440 0.000 1.471 748 I CB -0.399 37.105 38.000 -0.826 0.000 1.089 748 I HN 0.004 nan 8.210 nan 0.000 0.468 749 L N 1.025 122.175 121.223 -0.122 0.000 2.488 749 L HA 0.692 5.035 4.340 0.005 0.000 0.249 749 L C 0.628 177.456 176.870 -0.070 0.000 1.151 749 L CA -0.325 54.469 54.840 -0.078 0.000 0.806 749 L CB 0.882 42.923 42.059 -0.031 0.000 1.261 749 L HN 0.182 nan 8.230 nan 0.000 0.484 750 G N -1.405 107.360 108.800 -0.058 0.000 2.672 750 G HA2 0.462 4.425 3.960 0.005 0.000 0.292 750 G HA3 0.462 4.425 3.960 0.005 0.000 0.292 750 G C 0.363 175.241 174.900 -0.036 0.000 1.375 750 G CA -0.527 44.547 45.100 -0.044 0.000 0.890 750 G HN 0.397 nan 8.290 nan 0.000 0.476 751 V N 1.225 121.126 119.914 -0.022 0.000 2.316 751 V HA -0.433 3.691 4.120 0.005 0.000 0.247 751 V C 3.328 179.401 176.094 -0.035 0.000 1.028 751 V CA 3.900 66.187 62.300 -0.022 0.000 1.105 751 V CB -1.498 30.313 31.823 -0.020 0.000 0.781 751 V HN 1.240 nan 8.190 nan 0.000 0.494 752 A N -0.162 122.637 122.820 -0.034 0.000 1.863 752 A HA -0.284 4.039 4.320 0.005 0.000 0.218 752 A C 2.362 179.904 177.584 -0.070 0.000 1.233 752 A CA 3.839 55.850 52.037 -0.042 0.000 0.655 752 A CB -1.371 17.607 19.000 -0.037 0.000 0.839 752 A HN 1.180 nan 8.150 nan 0.000 0.454 753 A N -1.278 121.501 122.820 -0.068 0.000 2.076 753 A HA -0.057 4.266 4.320 0.005 0.000 0.220 753 A C 2.333 179.855 177.584 -0.104 0.000 1.160 753 A CA 2.006 53.995 52.037 -0.081 0.000 0.653 753 A CB -0.881 18.081 19.000 -0.064 0.000 0.801 753 A HN 0.497 nan 8.150 nan 0.000 0.455 754 S N -0.697 114.947 115.700 -0.093 0.000 2.419 754 S HA -0.095 4.378 4.470 0.005 0.000 0.235 754 S C 1.403 175.888 174.600 -0.191 0.000 1.019 754 S CA 1.315 59.452 58.200 -0.105 0.000 0.982 754 S CB -0.384 62.778 63.200 -0.064 0.000 0.789 754 S HN 0.589 nan 8.310 nan 0.000 0.490 755 I N 0.770 121.192 120.570 -0.246 0.000 3.793 755 I HA 0.156 4.329 4.170 0.005 0.000 0.315 755 I C -0.063 175.816 176.117 -0.396 0.000 1.275 755 I CA 0.221 61.266 61.300 -0.426 0.000 1.214 755 I CB 0.089 37.753 38.000 -0.559 0.000 1.018 755 I HN 0.123 nan 8.210 nan 0.000 0.439 756 I N 4.158 124.561 120.570 -0.278 0.000 2.416 756 I HA 0.170 4.343 4.170 0.005 0.000 0.288 756 I C -2.076 173.899 176.117 -0.237 0.000 1.051 756 I CA -1.741 59.404 61.300 -0.258 0.000 1.375 756 I CB 0.662 38.561 38.000 -0.168 0.000 1.407 756 I HN -0.156 nan 8.210 nan 0.000 0.516 757 P HA 0.176 nan 4.420 nan 0.000 0.286 757 P C -0.275 176.998 177.300 -0.044 0.000 1.269 757 P CA -0.200 62.730 63.100 -0.284 0.000 0.787 757 P CB 0.475 32.015 31.700 -0.266 0.000 0.920 758 F N 1.546 121.503 119.950 0.011 0.000 3.090 758 F HA -0.162 4.368 4.527 0.005 0.000 0.282 758 F C -0.899 174.963 175.800 0.103 0.000 0.923 758 F CA -0.332 57.722 58.000 0.090 0.000 0.977 758 F CB -1.798 37.259 39.000 0.094 0.000 0.954 758 F HN 0.349 nan 8.300 nan 0.000 0.695 759 P HA -0.124 nan 4.420 nan 0.000 0.242 759 P C 0.533 177.876 177.300 0.072 0.000 1.198 759 P CA 1.538 64.695 63.100 0.096 0.000 0.756 759 P CB -0.051 31.648 31.700 -0.002 0.000 0.911 760 D N -2.125 118.315 120.400 0.066 0.000 2.463 760 D HA -0.015 4.628 4.640 0.005 0.000 0.224 760 D C 0.581 176.801 176.300 -0.134 0.000 1.174 760 D CA -0.278 53.710 54.000 -0.021 0.000 0.829 760 D CB -0.794 39.920 40.800 -0.143 0.000 0.993 760 D HN 0.285 nan 8.370 nan 0.000 0.497 761 H N -0.338 118.773 119.070 0.068 0.000 2.865 761 H HA 0.297 4.856 4.556 0.005 0.000 0.247 761 H C -0.678 174.667 175.328 0.027 0.000 1.181 761 H CA -0.441 55.621 56.048 0.023 0.000 0.975 761 H CB 0.465 30.203 29.762 -0.040 0.000 1.899 761 H HN 0.034 nan 8.280 nan 0.000 0.651 762 N N 1.212 119.990 118.700 0.130 0.000 2.249 762 N HA 0.062 4.805 4.740 0.005 0.000 0.296 762 N C -0.638 174.902 175.510 0.051 0.000 1.051 762 N CA -0.531 52.579 53.050 0.100 0.000 0.815 762 N CB 2.443 41.018 38.487 0.147 0.000 1.487 762 N HN 0.143 nan 8.380 nan 0.000 0.475 763 Q N 2.038 121.856 119.800 0.030 0.000 2.247 763 Q HA 0.036 4.379 4.340 0.005 0.000 0.288 763 Q C 0.636 176.616 176.000 -0.032 0.000 1.079 763 Q CA 0.368 56.172 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 5.319 120.999 115.700 -0.033 0.000 2.433 764 S HA -0.223 4.251 4.470 0.005 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 -0.056 0.000 1.277 764 S CB -0.885 62.290 63.200 -0.041 0.000 1.198 764 S HN 0.849 nan 8.310 nan 0.000 0.440 765 P HA -0.105 nan 4.420 nan 0.000 0.218 765 P C 1.043 177.932 177.300 -0.685 0.000 1.149 765 P CA 1.099 63.945 63.100 -0.423 0.000 0.817 765 P CB -0.126 31.330 31.700 -0.407 0.000 0.785 766 R N -0.318 119.940 120.500 -0.403 0.000 2.193 766 R HA -0.012 4.331 4.340 0.005 0.000 0.229 766 R C 1.920 178.146 176.300 -0.123 0.000 1.110 766 R CA 0.572 56.526 56.100 -0.243 0.000 0.988 766 R CB -1.106 29.191 30.300 -0.004 0.000 0.871 766 R HN 0.304 nan 8.270 nan 0.000 0.458 767 N N -0.153 118.475 118.700 -0.121 0.000 2.216 767 N HA -0.069 4.674 4.740 0.005 0.000 0.183 767 N C 1.402 176.866 175.510 -0.077 0.000 1.017 767 N CA 1.300 54.312 53.050 -0.064 0.000 0.861 767 N CB -0.075 38.385 38.487 -0.045 0.000 0.986 767 N HN 0.130 nan 8.380 nan 0.000 0.428 768 T N 0.466 114.937 114.554 -0.140 0.000 2.857 768 T HA -0.021 4.333 4.350 0.005 0.000 0.266 768 T C 1.719 176.442 174.700 0.038 0.000 1.048 768 T CA 0.772 62.822 62.100 -0.082 0.000 1.139 768 T CB -0.273 68.525 68.868 -0.118 0.000 0.874 768 T HN 0.345 nan 8.240 nan 0.000 0.455 769 Y N 1.255 121.541 120.300 -0.022 0.000 2.089 769 Y HA -0.233 4.320 4.550 0.005 0.000 0.282 769 Y C 3.053 178.928 175.900 -0.041 0.000 1.139 769 Y CA 0.830 58.913 58.100 -0.028 0.000 1.123 769 Y CB -0.304 38.147 38.460 -0.016 0.000 0.980 769 Y HN 0.130 nan 8.280 nan 0.000 0.493 770 Q N 0.908 120.782 119.800 0.124 0.000 2.112 770 Q HA -0.187 4.156 4.340 0.005 0.000 0.206 770 Q C 2.054 178.049 176.000 -0.010 0.000 0.987 770 Q CA 2.341 58.156 55.803 0.019 0.000 0.858 770 Q CB -0.591 28.119 28.738 -0.048 0.000 0.905 770 Q HN 0.269 nan 8.270 nan 0.000 0.420 771 S N -0.167 115.526 115.700 -0.011 0.000 2.399 771 S HA -0.087 4.386 4.470 0.005 0.000 0.231 771 S C 1.794 176.383 174.600 -0.018 0.000 1.022 771 S CA 0.974 59.158 58.200 -0.025 0.000 0.983 771 S CB -0.457 62.723 63.200 -0.032 0.000 0.803 771 S HN 0.611 nan 8.310 nan 0.000 0.480 772 A N 0.652 123.473 122.820 0.001 0.000 2.067 772 A HA 0.193 4.516 4.320 0.005 0.000 0.217 772 A C 1.979 179.537 177.584 -0.043 0.000 1.156 772 A CA 0.722 52.748 52.037 -0.017 0.000 0.683 772 A CB -0.344 18.660 19.000 0.007 0.000 0.808 772 A HN 0.462 nan 8.150 nan 0.000 0.455 773 M N -1.175 118.406 119.600 -0.031 0.000 2.501 773 M HA 0.055 4.538 4.480 0.005 0.000 0.261 773 M C 2.101 178.375 176.300 -0.045 0.000 1.129 773 M CA 0.793 56.062 55.300 -0.051 0.000 1.126 773 M CB -0.076 32.499 32.600 -0.042 0.000 1.359 773 M HN 0.483 nan 8.290 nan 0.000 0.471 774 G N 1.058 109.845 108.800 -0.022 0.000 2.498 774 G HA2 -0.173 3.790 3.960 0.005 0.000 0.219 774 G HA3 -0.173 3.790 3.960 0.005 0.000 0.219 774 G C 1.428 176.340 174.900 0.020 0.000 1.119 774 G CA 0.609 45.720 45.100 0.018 0.000 0.766 774 G HN 0.419 nan 8.290 nan 0.000 0.552 775 K N -0.393 119.987 120.400 -0.034 0.000 2.404 775 K HA 0.154 4.477 4.320 0.005 0.000 0.194 775 K C 1.492 177.988 176.600 -0.174 0.000 1.023 775 K CA 0.154 56.403 56.287 -0.065 0.000 1.094 775 K CB 0.444 32.888 32.500 -0.094 0.000 0.841 775 K HN 0.301 nan 8.250 nan 0.000 0.523 776 Q N -0.097 119.608 119.800 -0.159 0.000 2.149 776 Q HA 0.243 4.587 4.340 0.005 0.000 0.221 776 Q C -0.226 175.690 176.000 -0.141 0.000 0.807 776 Q CA -0.393 55.266 55.803 -0.240 0.000 1.000 776 Q CB 1.411 30.011 28.738 -0.231 0.000 1.157 776 Q HN 0.165 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 0.486 4.810 4.320 0.005 0.000 0.258 777 A C -0.068 177.536 177.584 0.033 0.000 1.087 777 A CA -0.034 52.004 52.037 0.002 0.000 0.802 777 A CB 0.421 19.467 19.000 0.077 0.000 1.042 777 A HN 0.216 nan 8.150 nan 0.000 0.489 778 M N 0.233 119.862 119.600 0.047 0.000 2.573 778 M HA 0.633 5.116 4.480 0.005 0.000 0.309 778 M C 0.546 176.900 176.300 0.091 0.000 1.202 778 M CA 0.397 55.740 55.300 0.071 0.000 0.975 778 M CB 2.134 34.773 32.600 0.067 0.000 1.600 778 M HN 1.101 nan 8.290 nan 0.000 0.479 779 G N -0.159 108.686 108.800 0.076 0.000 2.343 779 G HA2 0.249 4.212 3.960 0.005 0.000 0.289 779 G HA3 0.249 4.212 3.960 0.005 0.000 0.289 779 G C -1.849 173.056 174.900 0.009 0.000 1.295 779 G CA -1.010 44.109 45.100 0.031 0.000 0.869 779 G HN 0.560 nan 8.290 nan 0.000 0.522 780 V N 1.701 121.566 119.914 -0.081 0.000 2.389 780 V HA 0.366 4.489 4.120 0.005 0.000 0.264 780 V C 1.305 177.338 176.094 -0.102 0.000 1.049 780 V CA 0.284 62.490 62.300 -0.156 0.000 0.932 780 V CB -0.086 31.591 31.823 -0.244 0.000 1.011 780 V HN 0.877 nan 8.190 nan 0.000 0.475 781 F N 3.709 123.602 119.950 -0.096 0.000 2.661 781 F HA 0.539 5.068 4.527 0.005 0.000 0.298 781 F C 0.282 176.094 175.800 0.019 0.000 1.137 781 F CA 0.106 58.101 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 -0.879 0.000 2.666 782 L HA 0.102 4.446 4.340 0.005 0.000 0.259 782 L C 1.044 177.663 176.870 -0.419 0.000 0.919 782 L CA -0.174 54.290 54.840 -0.626 0.000 0.927 782 L CB 2.033 43.690 42.059 -0.671 0.000 1.423 782 L HN 0.115 nan 8.230 nan 0.000 0.426 783 T N -2.301 112.115 114.554 -0.231 0.000 2.946 783 T HA -0.121 4.232 4.350 0.005 0.000 0.271 783 T C 0.890 175.545 174.700 -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 0.818 119.428 118.700 -0.150 0.000 2.380 784 N HA 0.032 4.775 4.740 0.005 0.000 0.255 784 N C 0.967 176.331 175.510 -0.244 0.000 1.158 784 N CA -0.639 52.301 53.050 -0.183 0.000 0.878 784 N CB -0.765 37.652 38.487 -0.117 0.000 1.138 784 N HN 0.716 nan 8.380 nan 0.000 0.509 785 Y N -0.756 119.345 120.300 -0.331 0.000 2.403 785 Y HA 0.034 4.588 4.550 0.006 0.000 0.291 785 Y C 1.715 177.463 175.900 -0.253 0.000 1.143 785 Y CA 0.870 58.806 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 0.644 118.833 118.700 -0.852 0.000 2.409 786 N HA -0.069 4.674 4.740 0.005 0.000 0.179 786 N C 0.947 176.231 175.510 -0.377 0.000 1.032 786 N CA 1.055 53.677 53.050 -0.714 0.000 0.898 786 N CB -0.034 37.999 38.487 -0.756 0.000 0.971 786 N HN 0.293 nan 8.380 nan 0.000 0.441 787 V N 0.124 119.872 119.914 -0.276 0.000 3.647 787 V HA 0.258 4.381 4.120 0.005 0.000 0.279 787 V C 0.235 176.266 176.094 -0.105 0.000 1.314 787 V CA 0.179 62.382 62.300 -0.162 0.000 1.125 787 V CB -0.442 31.306 31.823 -0.124 0.000 0.907 787 V HN 0.137 nan 8.190 nan 0.000 0.434 788 R N 0.907 121.345 120.500 -0.103 0.000 2.387 788 R HA 0.583 4.926 4.340 0.005 0.000 0.314 788 R C -0.551 175.718 176.300 -0.053 0.000 0.958 788 R CA -0.424 55.655 56.100 -0.035 0.000 0.846 788 R CB 1.485 31.809 30.300 0.040 0.000 1.147 788 R HN 0.117 nan 8.270 nan 0.000 0.447 789 M N 4.388 123.971 119.600 -0.029 0.000 2.152 789 M HA 0.206 4.689 4.480 0.005 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 0.408 33.005 32.600 -0.007 0.000 1.366 789 M HN 0.585 nan 8.290 nan 0.000 0.415 790 D N 0.684 121.048 120.400 -0.060 0.000 2.645 790 D HA 0.315 4.958 4.640 0.005 0.000 0.228 790 D C -0.529 175.694 176.300 -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 0.442 114.919 114.554 -0.128 0.000 2.642 791 T HA 0.223 4.576 4.350 0.005 0.000 0.258 791 T C 0.776 175.369 174.700 -0.178 0.000 1.022 791 T CA -0.240 61.767 62.100 -0.156 0.000 1.266 791 T CB -1.050 67.749 68.868 -0.114 0.000 0.987 791 T HN 0.505 nan 8.240 nan 0.000 0.518 792 M N 0.397 119.864 119.600 -0.222 0.000 4.047 792 M HA -0.125 4.358 4.480 0.005 0.000 0.157 792 M C -0.268 175.909 176.300 -0.205 0.000 1.532 792 M CA 0.558 55.719 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 4.164 126.898 122.820 -0.144 0.000 2.488 793 A HA 0.765 5.088 4.320 0.005 0.000 0.295 793 A C -0.983 176.671 177.584 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 0.003 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 0.598 5.342 4.740 0.005 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 0.157 0.000 0.912 794 N CB 1.746 40.318 38.487 0.142 0.000 1.177 794 N HN 0.498 nan 8.380 nan 0.000 0.490 795 I N 2.126 122.750 120.570 0.090 0.000 2.608 795 I HA 0.315 4.488 4.170 0.005 0.000 0.295 795 I C -0.353 175.774 176.117 0.018 0.000 1.049 795 I CA -0.649 60.632 61.300 -0.032 0.000 1.063 795 I CB 1.927 39.721 38.000 -0.343 0.000 1.248 795 I HN 0.279 nan 8.210 nan 0.000 0.424 796 L N 5.557 126.790 121.223 0.017 0.000 2.349 796 L HA 0.217 4.560 4.340 0.005 0.000 0.275 796 L C 0.530 177.445 176.870 0.075 0.000 1.115 796 L CA 0.472 55.376 54.840 0.106 0.000 0.820 796 L CB 0.383 42.508 42.059 0.111 0.000 1.135 796 L HN 0.496 nan 8.230 nan 0.000 0.445 797 Y N 3.490 123.755 120.300 -0.059 0.000 2.145 797 Y HA -0.167 4.386 4.550 0.006 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 -0.258 0.000 1.148 797 Y CB -0.109 38.254 38.460 -0.163 0.000 0.981 797 Y HN 0.479 nan 8.280 nan 0.000 0.507 798 Y N -0.684 119.715 120.300 0.164 0.000 2.584 798 Y HA 0.367 4.921 4.550 0.006 0.000 0.358 798 Y C -2.448 173.461 175.900 0.015 0.000 1.028 798 Y CA -3.062 55.076 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 0.266 63.403 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 4.601 4.340 0.005 0.000 0.270 800 Q C -0.295 175.847 176.000 0.237 0.000 1.058 800 Q CA -1.106 54.782 55.803 0.142 0.000 0.802 800 Q CB 2.252 31.064 28.738 0.124 0.000 1.303 800 Q HN 0.378 nan 8.270 nan 0.000 0.444 801 K N 1.764 122.240 120.400 0.127 0.000 2.326 801 K HA 0.365 4.688 4.320 0.005 0.000 0.275 801 K C -2.391 174.263 176.600 0.089 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 0.522 177.759 177.300 -0.104 0.000 1.216 802 P CA -0.186 62.744 63.100 -0.282 0.000 0.771 802 P CB 0.815 31.982 31.700 -0.889 0.000 0.864 803 L N 1.658 122.878 121.223 -0.006 0.000 2.265 803 L HA -0.029 4.314 4.340 0.005 0.000 0.215 803 L C 1.557 178.380 176.870 -0.078 0.000 1.117 803 L CA 1.326 56.150 54.840 -0.026 0.000 0.782 803 L CB -0.681 41.379 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 4.395 3.960 0.005 0.000 0.327 804 G HA3 0.432 4.395 3.960 0.005 0.000 0.327 804 G C -0.010 174.722 174.900 -0.281 0.000 1.118 804 G CA -0.185 44.807 45.100 -0.179 0.000 1.022 804 G HN 0.086 nan 8.290 nan 0.000 0.464 805 T N -0.827 113.562 114.554 -0.276 0.000 2.910 805 T HA 0.793 5.147 4.350 0.005 0.000 0.279 805 T C -0.029 174.460 174.700 -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 70.842 68.868 -0.243 0.000 1.135 805 T HN 0.211 nan 8.240 nan 0.000 0.562 806 T N 1.073 115.421 114.554 -0.344 0.000 2.881 806 T HA 0.410 4.763 4.350 0.005 0.000 0.290 806 T C 0.846 175.324 174.700 -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 -0.306 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 -0.506 0.000 2.397 807 R HA 0.007 4.350 4.340 0.005 0.000 0.213 807 R C 1.333 177.248 176.300 -0.642 0.000 1.102 807 R CA 0.339 55.953 56.100 -0.810 0.000 1.040 807 R CB -0.717 28.651 30.300 -1.553 0.000 0.844 807 R HN 0.701 nan 8.270 nan 0.000 0.478 808 A N -1.194 121.468 122.820 -0.262 0.000 2.470 808 A HA 0.211 4.534 4.320 0.005 0.000 0.251 808 A C 1.633 179.202 177.584 -0.025 0.000 1.245 808 A CA -0.304 51.786 52.037 0.089 0.000 0.932 808 A CB 0.184 19.288 19.000 0.173 0.000 1.037 808 A HN 0.129 nan 8.150 nan 0.000 0.522 809 M N -0.868 118.627 119.600 -0.173 0.000 2.476 809 M HA 0.013 4.496 4.480 0.005 0.000 0.262 809 M C 1.826 178.026 176.300 -0.167 0.000 1.111 809 M CA 0.949 56.164 55.300 -0.143 0.000 1.127 809 M CB 0.030 32.519 32.600 -0.185 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 4.151 4.350 0.005 0.000 0.194 810 E C 1.194 177.443 176.600 -0.586 0.000 0.988 810 E CA 1.520 57.611 56.400 -0.516 0.000 0.811 810 E CB 0.115 29.373 29.700 -0.736 0.000 0.746 810 E HN 0.599 nan 8.360 nan 0.000 0.466 811 Y N -0.403 119.827 120.300 -0.117 0.000 2.476 811 Y HA 0.129 4.682 4.550 0.005 0.000 0.283 811 Y C 1.706 177.529 175.900 -0.130 0.000 1.109 811 Y CA 0.168 58.135 58.100 -0.223 0.000 1.246 811 Y CB 0.244 38.291 38.460 -0.688 0.000 1.068 811 Y HN -0.020 nan 8.280 nan 0.000 0.552 812 L N 0.614 121.853 121.223 0.026 0.000 2.645 812 L HA 0.009 4.352 4.340 0.005 0.000 0.235 812 L C 0.426 177.469 176.870 0.289 0.000 1.150 812 L CA 0.295 55.215 54.840 0.133 0.000 0.911 812 L CB -0.275 41.848 42.059 0.106 0.000 1.077 812 L HN 0.154 nan 8.230 nan 0.000 0.438 813 K N -1.459 119.057 120.400 0.194 0.000 2.971 813 K HA -0.292 4.031 4.320 0.005 0.000 0.265 813 K C 0.945 177.594 176.600 0.082 0.000 1.052 813 K CA 0.857 57.240 56.287 0.160 0.000 0.780 813 K CB -2.328 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 -0.217 4.314 4.527 0.006 0.000 0.298 814 F C 2.328 178.077 175.800 -0.084 0.000 1.112 814 F CA 1.882 59.863 58.000 -0.032 0.000 1.212 814 F CB 0.014 38.968 39.000 -0.076 0.000 0.975 814 F HN 0.102 nan 8.300 nan 0.000 0.476 815 R N -0.153 120.395 120.500 0.079 0.000 2.200 815 R HA -0.170 4.173 4.340 0.005 0.000 0.234 815 R C 1.660 177.904 176.300 -0.094 0.000 1.127 815 R CA 1.515 57.611 56.100 -0.007 0.000 0.989 815 R CB -0.490 29.805 30.300 -0.007 0.000 0.869 815 R HN 0.340 nan 8.270 nan 0.000 0.459 816 E N 0.125 120.245 120.200 -0.133 0.000 2.190 816 E HA 0.086 4.439 4.350 0.005 0.000 0.191 816 E C 0.464 176.807 176.600 -0.427 0.000 0.978 816 E CA 0.663 56.946 56.400 -0.197 0.000 0.839 816 E CB 0.408 30.082 29.700 -0.043 0.000 0.787 816 E HN 0.157 nan 8.360 nan 0.000 0.473 817 L N 1.700 122.618 121.223 -0.509 0.000 2.783 817 L HA 0.322 4.665 4.340 0.005 0.000 0.265 817 L C -2.402 174.164 176.870 -0.507 0.000 1.398 817 L CA -1.613 52.905 54.840 -0.537 0.000 0.802 817 L CB 1.004 42.640 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 1.441 33.030 31.700 -0.186 0.000 0.875 819 A N 1.549 124.250 122.820 -0.198 0.000 2.763 819 A HA 0.699 5.022 4.320 0.005 0.000 0.325 819 A C 0.083 177.858 177.584 0.318 0.000 1.209 819 A CA -0.000 52.088 52.037 0.085 0.000 0.764 819 A CB 0.089 19.143 19.000 0.090 0.000 1.120 819 A HN 0.847 nan 8.150 nan 0.000 0.463 820 G N 0.386 109.312 108.800 0.211 0.000 2.333 820 G HA2 0.372 4.335 3.960 0.005 0.000 0.330 820 G HA3 0.372 4.335 3.960 0.005 0.000 0.330 820 G C -1.365 173.336 174.900 -0.332 0.000 1.465 820 G CA -0.834 44.219 45.100 -0.079 0.000 0.996 820 G HN 0.712 nan 8.290 nan 0.000 0.655 821 Q N -0.662 118.899 119.800 -0.400 0.000 2.351 821 Q HA 0.496 4.839 4.340 0.005 0.000 0.273 821 Q C -0.449 175.329 176.000 -0.371 0.000 1.077 821 Q CA -1.044 54.511 55.803 -0.413 0.000 0.843 821 Q CB 1.637 29.898 28.738 -0.795 0.000 1.367 821 Q HN 0.400 nan 8.270 nan 0.000 0.449 822 N N 1.080 119.692 118.700 -0.146 0.000 3.083 822 N HA 0.282 5.025 4.740 0.005 0.000 0.260 822 N C -1.355 174.096 175.510 -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 2.121 124.862 122.820 -0.132 0.000 2.371 823 A HA 0.359 4.682 4.320 0.005 0.000 0.257 823 A C 0.473 177.943 177.584 -0.190 0.000 1.089 823 A CA -0.386 51.539 52.037 -0.186 0.000 0.794 823 A CB 0.507 19.383 19.000 -0.206 0.000 1.029 823 A HN 0.408 nan 8.150 nan 0.000 0.488 824 I N 3.345 123.786 120.570 -0.215 0.000 2.347 824 I HA 0.155 4.328 4.170 0.005 0.000 0.294 824 I C 0.005 175.847 176.117 -0.459 0.000 1.090 824 I CA 0.291 61.409 61.300 -0.302 0.000 1.314 824 I CB -0.139 37.745 38.000 -0.194 0.000 1.423 824 I HN 0.217 nan 8.210 nan 0.000 0.503 825 V N 5.708 125.319 119.914 -0.505 0.000 2.612 825 V HA 0.770 4.893 4.120 0.005 0.000 0.301 825 V C 0.394 176.124 176.094 -0.606 0.000 1.046 825 V CA -0.724 61.290 62.300 -0.477 0.000 0.946 825 V CB 1.881 33.519 31.823 -0.309 0.000 1.003 825 V HN 0.842 nan 8.190 nan 0.000 0.459 826 A N 4.622 127.201 122.820 -0.402 0.000 2.357 826 A HA 0.744 5.067 4.320 0.005 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 0.654 19.578 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 4.635 4.170 0.005 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 0.545 38.546 38.000 0.002 0.000 1.434 827 I HN 0.746 nan 8.210 nan 0.000 0.498 828 A N 5.161 127.989 122.820 0.012 0.000 2.594 828 A HA 0.446 4.769 4.320 0.005 0.000 0.296 828 A C -1.065 176.562 177.584 0.072 0.000 1.061 828 A CA -0.494 51.565 52.037 0.037 0.000 0.689 828 A CB 1.097 20.125 19.000 0.047 0.000 1.280 828 A HN 0.592 nan 8.150 nan 0.000 0.406 829 C N 2.681 122.027 119.300 0.077 0.000 2.520 829 C HA 0.477 4.940 4.460 0.005 0.000 0.369 829 C C 0.639 175.765 174.990 0.227 0.000 1.244 829 C CA 0.331 59.416 59.018 0.113 0.000 1.677 829 C CB -1.919 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 2.424 122.766 120.300 0.071 0.000 3.056 830 Y HA 0.194 4.747 4.550 0.005 0.000 0.294 830 Y C 2.293 178.272 175.900 0.132 0.000 1.275 830 Y CA 0.691 58.841 58.100 0.084 0.000 1.148 830 Y CB -0.534 37.999 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 0.068 4.541 4.470 0.005 0.000 0.240 831 S C 1.472 176.252 174.600 0.301 0.000 0.975 831 S CA 0.882 59.195 58.200 0.189 0.000 0.949 831 S CB -1.092 62.395 63.200 0.480 0.000 0.761 831 S HN 1.327 nan 8.310 nan 0.000 0.536 832 G N -0.114 108.822 108.800 0.226 0.000 2.143 832 G HA2 -0.306 3.657 3.960 0.005 0.000 0.248 832 G HA3 -0.306 3.657 3.960 0.005 0.000 0.248 832 G C -0.020 174.906 174.900 0.044 0.000 0.991 832 G CA 0.373 45.542 45.100 0.116 0.000 0.689 832 G HN 0.617 nan 8.290 nan 0.000 0.522 833 Y N 0.997 121.345 120.300 0.079 0.000 2.811 833 Y HA 0.390 4.943 4.550 0.005 0.000 0.330 833 Y C 1.103 177.012 175.900 0.016 0.000 1.081 833 Y CA -0.116 58.004 58.100 0.034 0.000 1.408 833 Y CB 0.419 38.877 38.460 -0.004 0.000 1.235 833 Y HN 0.468 nan 8.280 nan 0.000 0.529 834 N N -1.554 117.216 118.700 0.118 0.000 2.581 834 N HA 0.094 4.837 4.740 0.005 0.000 0.274 834 N C -0.812 174.739 175.510 0.069 0.000 1.629 834 N CA -0.290 52.813 53.050 0.088 0.000 0.884 834 N CB -0.378 38.167 38.487 0.096 0.000 1.423 834 N HN 0.206 nan 8.380 nan 0.000 0.507 835 Q N 0.223 120.048 119.800 0.041 0.000 2.166 835 Q HA 0.372 4.715 4.340 0.005 0.000 0.226 835 Q C -0.234 175.781 176.000 0.024 0.000 0.989 835 Q CA -0.605 55.221 55.803 0.039 0.000 0.966 835 Q CB 0.726 29.469 28.738 0.009 0.000 1.173 835 Q HN 0.133 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 4.046 4.350 0.005 0.000 0.198 836 E C -0.952 175.656 176.600 0.013 0.000 1.352 836 E CA 1.357 57.759 56.400 0.004 0.000 0.705 836 E CB -1.460 28.231 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 4.486 4.640 0.005 0.000 0.215 837 D C -0.156 176.172 176.300 0.048 0.000 1.140 837 D CA 1.423 55.447 54.000 0.040 0.000 0.937 837 D CB -1.627 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 -0.040 115.688 115.700 0.045 0.000 2.541 838 S HA 0.717 5.190 4.470 0.005 0.000 0.283 838 S C 0.406 175.041 174.600 0.059 0.000 1.196 838 S CA -0.937 57.293 58.200 0.051 0.000 1.062 838 S CB 2.410 65.634 63.200 0.039 0.000 1.009 838 S HN 0.306 nan 8.310 nan 0.000 0.502 839 M N 1.522 121.157 119.600 0.060 0.000 2.598 839 M HA 0.626 5.109 4.480 0.005 0.000 0.317 839 M C -1.378 174.919 176.300 -0.006 0.000 1.179 839 M CA -0.872 54.446 55.300 0.030 0.000 0.936 839 M CB 1.180 33.792 32.600 0.020 0.000 1.713 839 M HN 0.510 nan 8.290 nan 0.000 0.460 840 I N 2.841 123.394 120.570 -0.028 0.000 2.331 840 I HA 0.417 4.590 4.170 0.005 0.000 0.292 840 I C -0.504 175.555 176.117 -0.097 0.000 0.998 840 I CA -0.309 60.947 61.300 -0.073 0.000 1.267 840 I CB 1.601 39.591 38.000 -0.017 0.000 1.386 840 I HN 0.769 nan 8.210 nan 0.000 0.476 841 M N 5.940 125.471 119.600 -0.115 0.000 2.456 841 M HA 0.351 4.835 4.480 0.005 0.000 0.324 841 M C -0.358 175.909 176.300 -0.054 0.000 1.124 841 M CA -0.691 54.540 55.300 -0.114 0.000 0.959 841 M CB 1.640 34.150 32.600 -0.150 0.000 1.692 841 M HN 0.453 nan 8.290 nan 0.000 0.444 842 N N 2.809 121.487 118.700 -0.037 0.000 2.406 842 N HA -0.047 4.696 4.740 0.005 0.000 0.274 842 N C 0.565 176.080 175.510 0.007 0.000 1.249 842 N CA 0.295 53.352 53.050 0.011 0.000 0.951 842 N CB 0.746 39.230 38.487 -0.006 0.000 1.241 842 N HN 0.661 nan 8.380 nan 0.000 0.485 843 Q N 2.322 122.142 119.800 0.033 0.000 2.234 843 Q HA -0.128 4.215 4.340 0.005 0.000 0.206 843 Q C 1.129 177.138 176.000 0.014 0.000 0.980 843 Q CA 1.649 57.467 55.803 0.024 0.000 0.869 843 Q CB -0.083 28.681 28.738 0.042 0.000 0.912 843 Q HN 0.664 nan 8.270 nan 0.000 0.436 844 S N -0.243 115.469 115.700 0.019 0.000 2.345 844 S HA -0.150 4.323 4.470 0.005 0.000 0.220 844 S C 1.883 176.472 174.600 -0.018 0.000 1.031 844 S CA 1.312 59.514 58.200 0.004 0.000 0.996 844 S CB -0.574 62.634 63.200 0.012 0.000 0.882 844 S HN 0.727 nan 8.310 nan 0.000 0.445 845 S N 1.550 117.233 115.700 -0.028 0.000 2.469 845 S HA 0.044 4.517 4.470 0.005 0.000 0.238 845 S C 1.701 176.265 174.600 -0.060 0.000 0.998 845 S CA 0.598 58.764 58.200 -0.057 0.000 0.957 845 S CB -0.704 62.451 63.200 -0.076 0.000 0.764 845 S HN 0.453 nan 8.310 nan 0.000 0.514 846 I N 1.982 122.532 120.570 -0.034 0.000 2.233 846 I HA -0.126 4.047 4.170 0.005 0.000 0.243 846 I C 2.084 178.183 176.117 -0.031 0.000 1.093 846 I CA 1.466 62.754 61.300 -0.020 0.000 1.380 846 I CB -0.589 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 1.033 121.418 120.400 -0.025 0.000 2.158 847 D HA -0.173 4.470 4.640 0.005 0.000 0.197 847 D C 2.101 178.378 176.300 -0.038 0.000 0.995 847 D CA 1.148 55.133 54.000 -0.025 0.000 0.846 847 D CB -0.217 40.573 40.800 -0.016 0.000 0.941 847 D HN 0.276 nan 8.370 nan 0.000 0.456 848 R N -0.753 119.715 120.500 -0.054 0.000 2.323 848 R HA 0.204 4.547 4.340 0.005 0.000 0.198 848 R C 1.248 177.481 176.300 -0.112 0.000 0.988 848 R CA 0.739 56.791 56.100 -0.079 0.000 1.041 848 R CB 0.394 30.639 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 3.734 3.960 0.005 0.000 0.201 849 G HA3 -0.230 3.734 3.960 0.005 0.000 0.201 849 G C -0.001 174.865 174.900 -0.057 0.000 0.997 849 G CA -0.389 44.670 45.100 -0.068 0.000 0.652 849 G HN 0.230 nan 8.290 nan 0.000 0.500 850 L N 1.528 122.685 121.223 -0.110 0.000 2.640 850 L HA 0.503 4.846 4.340 0.005 0.000 0.280 850 L C 1.024 177.881 176.870 -0.021 0.000 1.229 850 L CA 0.930 55.661 54.840 -0.181 0.000 0.919 850 L CB -0.659 41.280 42.059 -0.200 0.000 1.168 850 L HN 0.615 nan 8.230 nan 0.000 0.496 851 F N 3.239 123.212 119.950 0.038 0.000 3.027 851 F HA -0.289 4.241 4.527 0.005 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 38.206 39.000 0.194 0.000 0.873 851 F HN 0.597 nan 8.300 nan 0.000 0.787 852 R N 0.420 121.007 120.500 0.144 0.000 2.598 852 R HA 0.761 5.104 4.340 0.005 0.000 0.279 852 R C 0.111 176.484 176.300 0.123 0.000 0.984 852 R CA -0.047 56.020 56.100 -0.055 0.000 0.999 852 R CB 2.065 32.013 30.300 -0.588 0.000 1.114 852 R HN 0.247 nan 8.270 nan 0.000 0.493 853 S N 1.353 117.153 115.700 0.166 0.000 2.607 853 S HA 0.544 5.017 4.470 0.005 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 1.269 122.601 121.223 0.182 0.000 2.387 854 L HA 0.730 5.073 4.340 0.005 0.000 0.266 854 L C -1.015 175.826 176.870 -0.049 0.000 1.059 854 L CA -0.862 53.959 54.840 -0.032 0.000 0.801 854 L CB 1.203 43.121 42.059 -0.234 0.000 1.223 854 L HN 0.789 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 0.504 5.035 4.527 0.006 0.000 0.355 855 F C -1.446 174.167 175.800 -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 5.008 124.628 119.950 -0.549 0.000 2.404 856 F HA 0.648 5.178 4.527 0.005 0.000 0.339 856 F C 0.260 175.569 175.800 -0.819 0.000 1.105 856 F CA -0.666 57.026 58.000 -0.514 0.000 1.087 856 F CB 1.456 40.331 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 4.830 4.340 0.005 0.000 0.296 857 R C -1.530 174.579 176.300 -0.317 0.000 1.012 857 R CA -0.510 55.309 56.100 -0.467 0.000 0.897 857 R CB 1.671 31.678 30.300 -0.488 0.000 1.184 857 R HN 0.821 nan 8.270 nan 0.000 0.440 858 S N 3.407 118.927 115.700 -0.301 0.000 2.456 858 S HA 0.455 4.928 4.470 0.005 0.000 0.316 858 S C -0.775 173.688 174.600 -0.228 0.000 1.089 858 S CA -0.777 57.322 58.200 -0.169 0.000 1.101 858 S CB 0.725 63.876 63.200 -0.082 0.000 0.995 858 S HN 0.388 nan 8.310 nan 0.000 0.468 859 Y N 2.391 122.656 120.300 -0.058 0.000 2.354 859 Y HA 0.701 5.253 4.550 0.005 0.000 0.322 859 Y C 0.472 176.311 175.900 -0.103 0.000 1.253 859 Y CA -1.231 56.834 58.100 -0.060 0.000 1.272 859 Y CB 0.951 39.382 38.460 -0.049 0.000 1.255 859 Y HN 0.649 nan 8.280 nan 0.000 0.500 860 M N 1.825 121.449 119.600 0.040 0.000 2.569 860 M HA 0.472 4.955 4.480 0.005 0.000 0.279 860 M C -2.424 173.817 176.300 -0.098 0.000 1.253 860 M CA -0.336 54.886 55.300 -0.130 0.000 0.867 860 M CB 2.941 35.404 32.600 -0.228 0.000 1.727 860 M HN 0.840 nan 8.290 nan 0.000 0.467 861 D N 0.838 121.132 120.400 -0.176 0.000 2.639 861 D HA 0.488 5.131 4.640 0.005 0.000 0.271 861 D C -1.675 174.691 176.300 0.109 0.000 1.254 861 D CA 0.023 54.040 54.000 0.028 0.000 0.810 861 D CB 2.305 43.217 40.800 0.187 0.000 1.351 861 D HN 0.761 nan 8.370 nan 0.000 0.427 862 Q N -0.051 119.852 119.800 0.171 0.000 3.146 862 Q HA 0.540 4.883 4.340 0.005 0.000 0.318 862 Q C -0.881 175.079 176.000 -0.067 0.000 0.992 862 Q CA -0.819 55.093 55.803 0.181 0.000 0.809 862 Q CB 2.076 30.943 28.738 0.215 0.000 1.490 862 Q HN 0.224 nan 8.270 nan 0.000 0.493 863 E N 1.495 121.645 120.200 -0.083 0.000 2.218 863 E HA 0.230 4.583 4.350 0.005 0.000 0.263 863 E C -1.098 175.454 176.600 -0.080 0.000 0.879 863 E CA -0.461 55.825 56.400 -0.190 0.000 0.762 863 E CB 2.013 31.569 29.700 -0.241 0.000 1.166 863 E HN 0.597 nan 8.360 nan 0.000 0.415 864 K N 2.419 122.772 120.400 -0.077 0.000 2.403 864 K HA -0.325 3.998 4.320 0.005 0.000 0.203 864 K C -0.671 175.920 176.600 -0.015 0.000 1.500 864 K CA 1.159 57.426 56.287 -0.033 0.000 0.779 864 K CB -0.239 32.248 32.500 -0.021 0.000 0.682 864 K HN 0.514 nan 8.250 nan 0.000 0.958 865 K N -2.458 117.945 120.400 0.005 0.000 2.303 865 K HA 0.187 4.510 4.320 0.005 0.000 0.258 865 K C -0.850 175.810 176.600 0.099 0.000 0.846 865 K CA -0.498 55.785 56.287 -0.007 0.000 0.686 865 K CB 0.558 33.040 32.500 -0.030 0.000 1.425 865 K HN 0.471 nan 8.250 nan 0.000 0.345 866 Y N 1.342 121.646 120.300 0.007 0.000 2.547 866 Y HA 0.087 4.639 4.550 0.004 0.000 0.338 866 Y C 0.567 176.469 175.900 0.003 0.000 1.239 866 Y CA -0.531 57.572 58.100 0.006 0.000 1.897 866 Y CB -0.068 38.396 38.460 0.007 0.000 1.808 866 Y HN 0.385 nan 8.280 nan 0.000 0.428 867 G N 3.937 112.829 108.800 0.153 0.000 2.683 867 G HA2 0.318 4.281 3.960 0.005 0.000 0.299 867 G HA3 0.318 4.281 3.960 0.005 0.000 0.299 867 G C -0.910 174.017 174.900 0.045 0.000 1.432 867 G CA -0.930 44.215 45.100 0.076 0.000 0.978 867 G HN 0.454 nan 8.290 nan 0.000 0.513 868 M N 3.533 123.146 119.600 0.022 0.000 2.513 868 M HA 0.191 4.674 4.480 0.005 0.000 0.341 868 M C 1.180 177.486 176.300 0.010 0.000 1.689 868 M CA 0.942 56.246 55.300 0.007 0.000 1.202 868 M CB -0.069 32.528 32.600 -0.004 0.000 1.996 868 M HN 1.376 nan 8.290 nan 0.000 0.458 869 S N 3.269 118.976 115.700 0.011 0.000 3.473 869 S HA -0.177 4.296 4.470 0.005 0.000 0.339 869 S C -0.298 174.307 174.600 0.008 0.000 1.148 869 S CA 1.110 59.315 58.200 0.008 0.000 0.969 869 S CB -2.664 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 1.484 122.061 120.570 0.012 0.000 2.502 870 I HA 0.354 4.527 4.170 0.005 0.000 0.276 870 I C 0.008 176.129 176.117 0.006 0.000 1.057 870 I CA -0.224 61.081 61.300 0.009 0.000 1.163 870 I CB 1.522 39.530 38.000 0.014 0.000 1.288 870 I HN 0.187 nan 8.210 nan 0.000 0.479 871 T N 3.767 118.317 114.554 -0.006 0.000 2.887 871 T HA 0.384 4.737 4.350 0.005 0.000 0.288 871 T C -0.119 174.553 174.700 -0.047 0.000 1.021 871 T CA -0.736 61.350 62.100 -0.022 0.000 1.000 871 T CB 1.991 70.847 68.868 -0.020 0.000 1.034 871 T HN 0.370 nan 8.240 nan 0.000 0.467 872 E N 1.038 121.190 120.200 -0.080 0.000 2.371 872 E HA 0.535 4.888 4.350 0.005 0.000 0.257 872 E C -0.471 176.023 176.600 -0.176 0.000 1.134 872 E CA -0.492 55.836 56.400 -0.122 0.000 0.919 872 E CB 0.751 30.357 29.700 -0.157 0.000 1.025 872 E HN 0.434 nan 8.360 nan 0.000 0.438 873 T N 1.131 115.575 114.554 -0.184 0.000 2.993 873 T HA 0.272 4.625 4.350 0.005 0.000 0.312 873 T C -0.965 173.671 174.700 -0.107 0.000 1.115 873 T CA -0.684 61.316 62.100 -0.166 0.000 1.027 873 T CB 0.465 69.304 68.868 -0.048 0.000 1.116 873 T HN 0.261 nan 8.240 nan 0.000 0.464 874 F N 3.730 123.694 119.950 0.023 0.000 2.439 874 F HA 0.389 4.917 4.527 0.001 0.000 0.356 874 F C 1.113 176.927 175.800 0.023 0.000 1.161 874 F CA -0.377 57.635 58.000 0.021 0.000 1.151 874 F CB 0.366 39.376 39.000 0.017 0.000 1.222 874 F HN 0.557 nan 8.300 nan 0.000 0.558 875 E N 2.119 122.449 120.200 0.216 0.000 2.375 875 E HA 0.211 4.564 4.350 0.005 0.000 0.280 875 E C -1.547 175.124 176.600 0.118 0.000 0.972 875 E CA -1.345 55.133 56.400 0.130 0.000 0.782 875 E CB 1.543 31.293 29.700 0.084 0.000 1.229 875 E HN 0.310 nan 8.360 nan 0.000 0.439 876 K N 3.328 123.785 120.400 0.094 0.000 2.315 876 K HA 0.194 4.517 4.320 0.005 0.000 0.291 876 K C -1.855 174.766 176.600 0.035 0.000 1.074 876 K CA -1.411 54.939 56.287 0.104 0.000 0.936 876 K CB 0.368 32.922 32.500 0.089 0.000 1.049 876 K HN 0.389 nan 8.250 nan 0.000 0.471 877 P HA -0.010 nan 4.420 nan 0.000 0.275 877 P C -1.177 176.034 177.300 -0.149 0.000 1.270 877 P CA -0.028 63.027 63.100 -0.075 0.000 0.791 877 P CB 0.535 32.184 31.700 -0.086 0.000 1.089 878 Q N -0.110 119.612 119.800 -0.130 0.000 4.082 878 Q HA 0.192 4.536 4.340 0.005 0.000 0.180 878 Q C -0.129 175.809 176.000 -0.103 0.000 0.863 878 Q CA -0.696 55.031 55.803 -0.128 0.000 0.772 878 Q CB 1.179 29.869 28.738 -0.079 0.000 1.527 878 Q HN 0.333 nan 8.270 nan 0.000 0.441 879 R N -0.302 120.125 120.500 -0.121 0.000 3.793 879 R HA -0.222 4.121 4.340 0.005 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 -2.168 28.089 30.300 -0.072 0.000 0.954 879 R HN 0.793 nan 8.270 nan 0.000 0.583 880 T N 1.494 116.021 114.554 -0.045 0.000 3.455 880 T HA -0.095 4.258 4.350 0.005 0.000 0.416 880 T C 0.465 175.149 174.700 -0.026 0.000 0.766 880 T CA 0.788 62.868 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 -1.221 117.465 118.700 -0.023 0.000 2.292 881 N HA -0.245 4.498 4.740 0.005 0.000 0.219 881 N C 1.336 176.834 175.510 -0.019 0.000 1.011 881 N CA 2.606 55.645 53.050 -0.018 0.000 2.776 881 N CB -1.473 37.006 38.487 -0.014 0.000 0.819 881 N HN 0.658 nan 8.380 nan 0.000 0.457 882 T N 0.940 115.482 114.554 -0.021 0.000 2.866 882 T HA 0.297 4.650 4.350 0.005 0.000 0.250 882 T C 1.556 176.240 174.700 -0.026 0.000 1.033 882 T CA 1.190 63.278 62.100 -0.020 0.000 1.145 882 T CB 0.271 69.129 68.868 -0.017 0.000 0.866 882 T HN 0.412 nan 8.240 nan 0.000 0.434 883 L N -0.989 120.213 121.223 -0.036 0.000 5.188 883 L HA -0.208 4.135 4.340 0.005 0.000 0.431 883 L C 0.588 177.431 176.870 -0.045 0.000 1.017 883 L CA 0.487 55.299 54.840 -0.048 0.000 1.195 883 L CB -1.617 40.416 42.059 -0.043 0.000 1.860 883 L HN 0.190 nan 8.230 nan 0.000 0.691 884 R N 1.567 122.049 120.500 -0.029 0.000 2.842 884 R HA 0.209 4.552 4.340 0.005 0.000 0.260 884 R C 0.334 176.632 176.300 -0.004 0.000 1.495 884 R CA 0.580 56.670 56.100 -0.017 0.000 1.024 884 R CB -0.115 30.181 30.300 -0.006 0.000 1.147 884 R HN 0.411 nan 8.270 nan 0.000 0.553 885 M N 0.755 120.350 119.600 -0.008 0.000 2.561 885 M HA 0.437 4.920 4.480 0.005 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 1.289 33.875 32.600 -0.023 0.000 1.554 885 M HN 0.043 nan 8.290 nan 0.000 0.604 886 K N -0.470 120.040 120.400 0.182 0.000 2.400 886 K HA 0.372 4.695 4.320 0.005 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 0.704 119.820 119.070 0.077 0.000 2.456 887 H HA -0.056 4.503 4.556 0.005 0.000 0.296 887 H C 0.844 176.203 175.328 0.053 0.000 1.079 887 H CA 1.295 57.379 56.048 0.060 0.000 1.322 887 H CB 0.005 29.785 29.762 0.030 0.000 1.388 887 H HN 0.790 nan 8.280 nan 0.000 0.538 888 G N 0.405 109.281 108.800 0.126 0.000 2.647 888 G HA2 0.024 3.987 3.960 0.005 0.000 0.234 888 G HA3 0.024 3.987 3.960 0.005 0.000 0.234 888 G C -0.251 174.648 174.900 -0.002 0.000 1.252 888 G CA -0.144 44.951 45.100 -0.008 0.000 0.846 888 G HN 0.179 nan 8.290 nan 0.000 0.589 889 T N 1.182 115.711 114.554 -0.043 0.000 2.771 889 T HA 0.260 4.613 4.350 0.005 0.000 0.291 889 T C 0.262 174.929 174.700 -0.054 0.000 0.954 889 T CA -0.037 62.083 62.100 0.035 0.000 1.045 889 T CB 1.001 69.886 68.868 0.028 0.000 0.917 889 T HN 0.432 nan 8.240 nan 0.000 0.484 890 Y N 0.566 120.866 120.300 -0.001 0.000 2.510 890 Y HA 0.073 4.626 4.550 0.004 0.000 0.273 890 Y C 1.987 177.883 175.900 -0.006 0.000 1.119 890 Y CA -0.279 57.818 58.100 -0.006 0.000 1.286 890 Y CB -0.078 38.381 38.460 -0.003 0.000 1.061 890 Y HN 0.569 nan 8.280 nan 0.000 0.542 891 D N 0.675 121.162 120.400 0.145 0.000 2.417 891 D HA -0.156 4.487 4.640 0.005 0.000 0.225 891 D C 1.101 177.427 176.300 0.044 0.000 0.983 891 D CA 1.041 55.089 54.000 0.080 0.000 0.949 891 D CB -0.096 40.740 40.800 0.060 0.000 0.879 891 D HN 0.437 nan 8.370 nan 0.000 0.520 892 K N -0.388 120.028 120.400 0.026 0.000 2.358 892 K HA 0.180 4.503 4.320 0.005 0.000 0.200 892 K C 0.606 177.204 176.600 -0.003 0.000 1.030 892 K CA -0.140 56.147 56.287 0.000 0.000 1.097 892 K CB 0.947 33.432 32.500 -0.025 0.000 0.862 892 K HN 0.054 nan 8.250 nan 0.000 0.534 893 L N 1.264 122.497 121.223 0.017 0.000 2.379 893 L HA 0.178 4.521 4.340 0.005 0.000 0.269 893 L C 0.158 177.042 176.870 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 42.870 42.059 0.047 0.000 1.175 893 L HN -0.052 nan 8.230 nan 0.000 0.448 894 D N -0.468 119.938 120.400 0.010 0.000 2.529 894 D HA 0.098 4.741 4.640 0.005 0.000 0.273 894 D C 0.491 176.805 176.300 0.023 0.000 1.197 894 D CA -0.385 53.622 54.000 0.012 0.000 1.070 894 D CB 0.708 41.508 40.800 -0.000 0.000 1.134 894 D HN 0.436 nan 8.370 nan 0.000 0.590 895 D N -0.145 120.269 120.400 0.023 0.000 2.312 895 D HA -0.119 4.524 4.640 0.005 0.000 0.211 895 D C 0.845 177.170 176.300 0.041 0.000 0.964 895 D CA 0.661 54.681 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 0.421 nan 8.370 nan 0.000 0.515 896 D N -0.213 120.204 120.400 0.029 0.000 2.355 896 D HA -0.003 4.640 4.640 0.005 0.000 0.218 896 D C 1.569 177.891 176.300 0.037 0.000 1.004 896 D CA 0.809 54.830 54.000 0.035 0.000 0.880 896 D CB -0.124 40.678 40.800 0.003 0.000 0.911 896 D HN 0.196 nan 8.370 nan 0.000 0.528 897 G N 0.014 108.833 108.800 0.032 0.000 2.157 897 G HA2 -0.222 3.741 3.960 0.005 0.000 0.248 897 G HA3 -0.222 3.741 3.960 0.005 0.000 0.248 897 G C -0.087 174.781 174.900 -0.053 0.000 0.979 897 G CA 0.317 45.441 45.100 0.039 0.000 0.650 897 G HN 0.407 nan 8.290 nan 0.000 0.529 898 L N 0.667 121.840 121.223 -0.083 0.000 2.346 898 L HA 0.624 4.967 4.340 0.005 0.000 0.276 898 L C 0.855 177.680 176.870 -0.075 0.000 1.006 898 L CA -1.310 53.456 54.840 -0.122 0.000 0.817 898 L CB 1.778 43.737 42.059 -0.166 0.000 1.272 898 L HN -0.007 nan 8.230 nan 0.000 0.421 899 I N 1.910 122.433 120.570 -0.078 0.000 2.638 899 I HA 0.260 4.433 4.170 0.005 0.000 0.286 899 I C 0.776 176.868 176.117 -0.042 0.000 1.088 899 I CA -0.103 61.165 61.300 -0.054 0.000 1.397 899 I CB 1.308 39.272 38.000 -0.060 0.000 1.414 899 I HN 0.675 nan 8.210 nan 0.000 0.566 900 A N 7.131 129.935 122.820 -0.027 0.000 2.302 900 A HA 0.414 4.737 4.320 0.005 0.000 0.285 900 A C -1.740 175.837 177.584 -0.012 0.000 1.105 900 A CA -1.340 50.686 52.037 -0.019 0.000 0.816 900 A CB 0.246 19.239 19.000 -0.012 0.000 1.067 900 A HN 0.521 nan 8.150 nan 0.000 0.489 901 P HA -0.197 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 2.414 65.517 63.100 0.005 0.000 0.908 901 P CB 0.067 31.770 31.700 0.005 0.000 0.791 902 G N -0.637 108.168 108.800 0.008 0.000 2.462 902 G HA2 -0.169 3.794 3.960 0.005 0.000 0.220 902 G HA3 -0.169 3.794 3.960 0.005 0.000 0.220 902 G C 0.385 175.292 174.900 0.011 0.000 1.121 902 G CA 0.258 45.365 45.100 0.011 0.000 0.758 902 G HN 0.194 nan 8.290 nan 0.000 0.559 903 V N 0.483 120.400 119.914 0.005 0.000 2.720 903 V HA 0.050 4.173 4.120 0.005 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 0.002 0.000 1.199 903 V CB 0.641 32.461 31.823 -0.006 0.000 0.900 903 V HN 0.374 nan 8.190 nan 0.000 0.494 904 R N 3.647 124.150 120.500 0.006 0.000 2.221 904 R HA 0.562 4.905 4.340 0.005 0.000 0.327 904 R C -0.523 175.777 176.300 0.001 0.000 1.033 904 R CA -0.409 55.696 56.100 0.009 0.000 0.887 904 R CB 1.158 31.464 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 5.024 4.120 0.005 0.000 0.318 905 V C -0.245 175.850 176.094 0.001 0.000 1.114 905 V CA -0.140 62.153 62.300 -0.011 0.000 1.020 905 V CB 1.784 33.590 31.823 -0.029 0.000 1.085 905 V HN 1.008 nan 8.190 nan 0.000 0.446 906 S N 0.203 115.898 115.700 -0.009 0.000 2.806 906 S HA 0.735 5.208 4.470 0.005 0.000 0.294 906 S C 0.921 175.515 174.600 -0.009 0.000 1.239 906 S CA 0.391 58.593 58.200 0.003 0.000 1.052 906 S CB 0.372 63.576 63.200 0.006 0.000 1.332 906 S HN 2.650 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 3.658 3.960 0.005 0.000 0.387 907 G HA3 -0.305 3.658 3.960 0.005 0.000 0.387 907 G C 0.138 175.026 174.900 -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 1.215 121.398 120.200 -0.030 0.000 2.609 908 E HA 0.291 4.644 4.350 0.005 0.000 0.208 908 E C -0.840 175.704 176.600 -0.093 0.000 1.013 908 E CA -0.199 56.172 56.400 -0.048 0.000 1.093 908 E CB 0.236 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 1.249 121.592 120.400 -0.095 0.000 2.487 909 D HA -0.033 4.610 4.640 0.005 0.000 0.243 909 D C -0.085 176.089 176.300 -0.209 0.000 1.154 909 D CA 0.191 54.114 54.000 -0.130 0.000 0.876 909 D CB 0.830 41.576 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 4.085 4.120 0.005 0.000 0.297 910 V C 1.551 177.480 176.094 -0.274 0.000 1.024 910 V CA 0.368 62.431 62.300 -0.394 0.000 1.105 910 V CB 0.426 31.797 31.823 -0.754 0.000 0.938 910 V HN 0.533 nan 8.190 nan 0.000 0.482 911 I N 4.313 124.723 120.570 -0.267 0.000 3.339 911 I HA 0.275 4.448 4.170 0.005 0.000 0.285 911 I C 0.428 176.438 176.117 -0.179 0.000 1.201 911 I CA 0.838 61.998 61.300 -0.232 0.000 1.434 911 I CB 0.386 38.179 38.000 -0.344 0.000 1.152 911 I HN 0.441 nan 8.210 nan 0.000 0.443 912 I N 0.507 120.981 120.570 -0.161 0.000 2.534 912 I HA 0.404 4.577 4.170 0.005 0.000 0.288 912 I C -0.297 175.820 176.117 -0.000 0.000 1.077 912 I CA -0.567 60.676 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 5.034 113.883 108.800 0.082 0.000 2.372 913 G HA2 0.652 4.615 3.960 0.005 0.000 0.323 913 G HA3 0.652 4.615 3.960 0.005 0.000 0.323 913 G C -1.221 173.837 174.900 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 1.019 121.546 120.400 0.211 0.000 2.546 914 K HA 0.598 4.921 4.320 0.005 0.000 0.264 914 K C -1.074 175.567 176.600 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 4.756 4.350 0.005 0.000 0.288 915 T C -0.669 174.018 174.700 -0.022 0.000 1.030 915 T CA -0.680 61.422 62.100 0.002 0.000 1.020 915 T CB 1.654 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 4.216 118.763 114.554 -0.012 0.000 3.150 916 T HA 0.330 4.683 4.350 0.005 0.000 0.383 916 T C -2.622 172.072 174.700 -0.009 0.000 1.313 916 T CA -1.170 60.921 62.100 -0.015 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 -0.347 176.951 177.300 -0.004 0.000 1.276 917 P CA -0.000 63.096 63.100 -0.007 0.000 0.986 917 P CB 0.099 31.794 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 4.286 4.170 0.005 0.000 0.294 918 I C 1.527 177.644 176.117 0.001 0.000 0.995 918 I CA -0.399 60.902 61.300 0.001 0.000 1.306 918 I CB 1.519 39.520 38.000 0.002 0.000 1.407 918 I HN 0.323 nan 8.210 nan 0.000 0.501 934 K N 1.930 122.323 120.400 -0.012 0.000 2.814 934 K HA 0.427 4.750 4.320 0.005 0.000 0.205 934 K C -1.398 175.195 176.600 -0.013 0.000 1.093 934 K CA -0.194 56.085 56.287 -0.013 0.000 1.035 934 K CB 1.558 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 1.183 121.679 120.500 -0.006 0.000 2.312 935 R HA 0.175 4.518 4.340 0.005 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 1.107 31.407 30.300 0.001 0.000 1.073 935 R HN 0.381 nan 8.270 nan 0.000 0.457 936 D N 1.735 122.145 120.400 0.017 0.000 2.382 936 D HA 0.220 4.863 4.640 0.005 0.000 0.245 936 D C -0.973 175.358 176.300 0.052 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 0.073 0.000 1.201 936 D HN 0.626 nan 8.370 nan 0.000 0.433 937 A N 2.406 125.265 122.820 0.066 0.000 2.768 937 A HA 0.451 4.774 4.320 0.005 0.000 0.298 937 A C -1.046 176.587 177.584 0.082 0.000 1.159 937 A CA -0.645 51.427 52.037 0.058 0.000 0.783 937 A CB 0.316 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 0.193 115.944 115.700 0.084 0.000 2.572 938 S HA 0.655 5.128 4.470 0.005 0.000 0.274 938 S C -0.382 174.225 174.600 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 0.492 nan 8.310 nan 0.000 0.479 939 T N 5.675 120.222 114.554 -0.012 0.000 2.799 939 T HA 0.426 4.779 4.350 0.005 0.000 0.296 939 T C -2.325 172.271 174.700 -0.175 0.000 0.947 939 T CA -0.503 61.559 62.100 -0.065 0.000 1.141 939 T CB 0.345 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 -0.392 176.744 177.300 -0.273 0.000 1.291 940 P CA -0.974 61.997 63.100 -0.216 0.000 0.867 940 P CB 1.184 32.805 31.700 -0.133 0.000 1.074 941 L N 3.426 124.457 121.223 -0.320 0.000 2.514 941 L HA 0.068 4.411 4.340 0.005 0.000 0.280 941 L C 0.956 177.797 176.870 -0.049 0.000 1.223 941 L CA 0.222 54.874 54.840 -0.313 0.000 0.864 941 L CB 0.004 41.956 42.059 -0.178 0.000 1.118 941 L HN 0.308 nan 8.230 nan 0.000 0.494 942 R N 3.075 123.663 120.500 0.147 0.000 2.537 942 R HA -0.055 4.288 4.340 0.005 0.000 0.281 942 R C 1.613 177.962 176.300 0.080 0.000 0.988 942 R CA 0.599 56.788 56.100 0.149 0.000 1.077 942 R CB 0.144 30.570 30.300 0.211 0.000 0.932 942 R HN 0.994 nan 8.270 nan 0.000 0.409 943 S N 1.668 117.399 115.700 0.051 0.000 2.389 943 S HA -0.244 4.229 4.470 0.005 0.000 0.231 943 S C 1.566 176.187 174.600 0.035 0.000 1.052 943 S CA 2.188 60.407 58.200 0.032 0.000 1.053 943 S CB -0.475 62.740 63.200 0.027 0.000 0.886 943 S HN 0.798 nan 8.310 nan 0.000 0.456 944 T N -0.391 114.189 114.554 0.043 0.000 3.107 944 T HA 0.321 4.674 4.350 0.005 0.000 0.249 944 T C 0.377 175.099 174.700 0.037 0.000 1.096 944 T CA -0.206 61.915 62.100 0.034 0.000 1.012 944 T CB -0.057 68.827 68.868 0.027 0.000 0.977 944 T HN 0.540 nan 8.240 nan 0.000 0.527 945 E N 2.553 122.794 120.200 0.068 0.000 2.267 945 E HA 0.546 4.899 4.350 0.005 0.000 0.258 945 E C -0.352 176.299 176.600 0.085 0.000 1.074 945 E CA -1.007 55.450 56.400 0.094 0.000 0.915 945 E CB 0.691 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 0.276 5.019 4.740 0.005 0.000 0.235 946 N C -0.899 174.657 175.510 0.078 0.000 1.092 946 N CA -0.236 52.856 53.050 0.070 0.000 1.038 946 N CB 1.113 39.624 38.487 0.039 0.000 1.684 946 N HN 0.630 nan 8.380 nan 0.000 0.551 947 G N 0.772 109.612 108.800 0.068 0.000 2.795 947 G HA2 0.530 4.493 3.960 0.005 0.000 0.127 947 G HA3 0.530 4.493 3.960 0.005 0.000 0.127 947 G C -1.662 173.264 174.900 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 4.502 4.170 0.005 0.000 0.289 948 I C -0.115 176.030 176.117 0.045 0.000 1.115 948 I CA -0.908 60.413 61.300 0.036 0.000 1.045 948 I CB 2.442 40.462 38.000 0.033 0.000 1.238 948 I HN 0.209 nan 8.210 nan 0.000 0.424 949 V N 5.245 125.181 119.914 0.037 0.000 2.625 949 V HA -0.145 3.978 4.120 0.005 0.000 0.305 949 V C 0.714 176.841 176.094 0.055 0.000 1.055 949 V CA 0.981 63.306 62.300 0.042 0.000 1.209 949 V CB 0.658 32.490 31.823 0.015 0.000 0.877 949 V HN 0.855 nan 8.190 nan 0.000 0.489 950 D N 2.844 123.294 120.400 0.083 0.000 2.468 950 D HA 0.121 4.764 4.640 0.005 0.000 0.243 950 D C 0.754 177.088 176.300 0.057 0.000 0.994 950 D CA 0.797 54.860 54.000 0.104 0.000 0.932 950 D CB 0.518 41.445 40.800 0.212 0.000 1.078 950 D HN 0.705 nan 8.370 nan 0.000 0.473 951 Q N -0.748 119.076 119.800 0.041 0.000 2.462 951 Q HA 0.599 4.942 4.340 0.005 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 3.261 31.991 28.738 -0.013 0.000 1.452 951 Q HN -0.080 nan 8.270 nan 0.000 0.404 952 V N 2.092 121.994 119.914 -0.020 0.000 2.760 952 V HA 0.608 4.732 4.120 0.005 0.000 0.309 952 V C -1.151 174.920 176.094 -0.038 0.000 1.077 952 V CA -0.806 61.471 62.300 -0.038 0.000 0.910 952 V CB 1.790 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 4.860 126.058 121.223 -0.042 0.000 2.381 953 L HA 0.941 5.284 4.340 0.005 0.000 0.268 953 L C -1.391 175.468 176.870 -0.018 0.000 0.997 953 L CA -0.547 54.283 54.840 -0.015 0.000 0.818 953 L CB 2.283 44.351 42.059 0.014 0.000 1.310 953 L HN 0.463 nan 8.230 nan 0.000 0.416 954 V N 3.399 123.320 119.914 0.011 0.000 2.376 954 V HA 0.639 4.762 4.120 0.005 0.000 0.287 954 V C -0.053 176.098 176.094 0.095 0.000 1.015 954 V CA -0.140 62.180 62.300 0.034 0.000 0.834 954 V CB 0.937 32.764 31.823 0.008 0.000 1.001 954 V HN 0.982 nan 8.190 nan 0.000 0.428 955 T N 2.226 116.886 114.554 0.176 0.000 2.669 955 T HA 0.604 4.957 4.350 0.005 0.000 0.283 955 T C -0.478 174.340 174.700 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 71.209 68.868 0.172 0.000 1.374 955 T HN 0.554 nan 8.240 nan 0.000 0.523 956 T N 2.396 117.021 114.554 0.118 0.000 2.881 956 T HA 0.494 4.847 4.350 0.005 0.000 0.290 956 T C -0.780 173.917 174.700 -0.005 0.000 1.000 956 T CA -0.678 61.472 62.100 0.084 0.000 0.978 956 T CB 1.063 69.969 68.868 0.063 0.000 0.997 956 T HN 0.528 nan 8.240 nan 0.000 0.443 957 N N 2.785 121.458 118.700 -0.045 0.000 2.439 957 N HA 0.204 4.947 4.740 0.005 0.000 0.249 957 N C 1.217 176.700 175.510 -0.046 0.000 1.003 957 N CA -0.046 52.927 53.050 -0.128 0.000 0.942 957 N CB 0.512 38.861 38.487 -0.231 0.000 1.115 957 N HN 0.688 nan 8.380 nan 0.000 0.505 958 Q N 1.584 121.367 119.800 -0.028 0.000 2.601 958 Q HA -0.354 3.989 4.340 0.005 0.000 0.280 958 Q C -0.275 175.730 176.000 0.009 0.000 2.159 958 Q CA 2.553 58.356 55.803 -0.001 0.000 0.923 958 Q CB -0.781 27.957 28.738 -0.000 0.000 0.852 958 Q HN 0.755 nan 8.270 nan 0.000 0.674 959 D N 0.711 121.115 120.400 0.006 0.000 2.789 959 D HA 0.071 4.714 4.640 0.005 0.000 0.249 959 D C 0.702 177.019 176.300 0.029 0.000 1.290 959 D CA 1.163 55.174 54.000 0.019 0.000 0.989 959 D CB -1.030 39.774 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 3.649 3.960 0.005 0.000 0.304 960 G HA3 -0.314 3.649 3.960 0.005 0.000 0.304 960 G C 0.404 175.335 174.900 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 -0.722 120.536 121.223 0.058 0.000 2.350 961 L HA 0.356 4.699 4.340 0.005 0.000 0.275 961 L C 0.975 177.940 176.870 0.159 0.000 1.099 961 L CA -0.523 54.372 54.840 0.092 0.000 0.808 961 L CB 0.987 43.102 42.059 0.093 0.000 1.149 961 L HN 0.017 nan 8.230 nan 0.000 0.442 962 K N 2.805 123.320 120.400 0.192 0.000 2.285 962 K HA 0.305 4.628 4.320 0.005 0.000 0.286 962 K C -1.068 175.810 176.600 0.464 0.000 1.072 962 K CA -0.257 56.210 56.287 0.301 0.000 0.913 962 K CB 0.806 33.501 32.500 0.324 0.000 1.067 962 K HN 0.217 nan 8.250 nan 0.000 0.479 963 F N 3.061 123.131 119.950 0.200 0.000 2.469 963 F HA 0.369 4.897 4.527 0.002 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 5.352 125.057 119.914 -0.349 0.000 2.623 964 V HA 0.425 4.548 4.120 0.005 0.000 0.304 964 V C -0.962 174.901 176.094 -0.386 0.000 1.054 964 V CA -1.126 60.975 62.300 -0.332 0.000 0.882 964 V CB 2.101 33.629 31.823 -0.491 0.000 1.002 964 V HN 0.600 nan 8.190 nan 0.000 0.424 965 K N 3.288 123.554 120.400 -0.223 0.000 2.450 965 K HA 0.681 5.004 4.320 0.005 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 2.389 34.846 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 4.442 4.120 0.005 0.000 0.278 966 V C 0.053 176.212 176.094 0.107 0.000 1.021 966 V CA -0.776 61.541 62.300 0.028 0.000 0.838 966 V CB 0.977 32.813 31.823 0.021 0.000 0.999 966 V HN 0.620 nan 8.190 nan 0.000 0.447 967 R N 3.900 124.439 120.500 0.064 0.000 2.297 967 R HA 0.675 5.019 4.340 0.005 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 1.438 31.767 30.300 0.048 0.000 1.046 967 R HN 0.544 nan 8.270 nan 0.000 0.461 968 V N 4.851 124.844 119.914 0.133 0.000 2.513 968 V HA 0.499 4.622 4.120 0.005 0.000 0.299 968 V C -0.038 176.092 176.094 0.060 0.000 1.035 968 V CA -0.861 61.515 62.300 0.126 0.000 0.889 968 V CB 1.556 33.501 31.823 0.204 0.000 0.988 968 V HN 0.724 nan 8.190 nan 0.000 0.440 969 R N 2.136 122.657 120.500 0.035 0.000 2.514 969 R HA 0.751 5.094 4.340 0.005 0.000 0.301 969 R C -1.175 175.077 176.300 -0.079 0.000 0.962 969 R CA -0.177 55.852 56.100 -0.119 0.000 0.882 969 R CB 2.034 32.274 30.300 -0.100 0.000 1.143 969 R HN 0.855 nan 8.270 nan 0.000 0.452 970 T N 1.634 116.122 114.554 -0.109 0.000 2.909 970 T HA 0.310 4.664 4.350 0.005 0.000 0.299 970 T C -0.997 173.706 174.700 0.004 0.000 1.073 970 T CA -0.488 61.625 62.100 0.022 0.000 0.999 970 T CB 1.986 70.947 68.868 0.154 0.000 1.098 970 T HN 0.430 nan 8.240 nan 0.000 0.477 971 T N 3.240 117.823 114.554 0.049 0.000 2.772 971 T HA 0.386 4.739 4.350 0.005 0.000 0.288 971 T C -0.288 174.444 174.700 0.053 0.000 0.994 971 T CA -0.678 61.483 62.100 0.102 0.000 0.951 971 T CB 0.479 69.442 68.868 0.159 0.000 0.933 971 T HN 0.313 nan 8.240 nan 0.000 0.447 972 K N 3.657 124.085 120.400 0.046 0.000 2.234 972 K HA 0.493 4.816 4.320 0.005 0.000 0.277 972 K C -0.416 176.179 176.600 -0.007 0.000 1.038 972 K CA -0.469 55.817 56.287 -0.001 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 5.466 126.027 120.570 -0.014 0.000 2.353 973 I HA 0.194 4.367 4.170 0.005 0.000 0.293 973 I C -1.788 174.351 176.117 0.037 0.000 0.992 973 I CA -2.578 58.720 61.300 -0.004 0.000 1.268 973 I CB 1.274 39.263 38.000 -0.018 0.000 1.387 973 I HN 0.396 nan 8.210 nan 0.000 0.478 974 P HA -0.092 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 0.858 32.742 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 4.685 4.340 0.005 0.000 0.262 975 Q C 1.472 177.502 176.000 0.050 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 0.225 nan 8.270 nan 0.000 0.501 976 I N -0.025 120.560 120.570 0.025 0.000 2.142 976 I HA -0.175 3.998 4.170 0.005 0.000 0.240 976 I C 1.604 177.741 176.117 0.032 0.000 1.078 976 I CA 1.790 63.106 61.300 0.026 0.000 1.343 976 I CB -0.348 37.661 38.000 0.015 0.000 1.046 976 I HN 0.845 nan 8.210 nan 0.000 0.405 977 G N -0.153 108.653 108.800 0.011 0.000 3.088 977 G HA2 -0.055 3.908 3.960 0.005 0.000 0.212 977 G HA3 -0.055 3.908 3.960 0.005 0.000 0.212 977 G C 0.022 174.905 174.900 -0.027 0.000 1.173 977 G CA -0.182 44.916 45.100 -0.003 0.000 0.779 977 G HN 0.232 nan 8.290 nan 0.000 0.540 978 D N 0.948 121.329 120.400 -0.030 0.000 2.417 978 D HA 0.156 4.799 4.640 0.005 0.000 0.250 978 D C 0.449 176.600 176.300 -0.248 0.000 1.166 978 D CA 0.365 54.273 54.000 -0.154 0.000 0.881 978 D CB 1.283 41.981 40.800 -0.170 0.000 1.164 978 D HN 0.135 nan 8.370 nan 0.000 0.467 979 K N 2.006 122.199 120.400 -0.345 0.000 2.270 979 K HA 0.390 4.713 4.320 0.005 0.000 0.276 979 K C -0.966 175.254 176.600 -0.633 0.000 1.023 979 K CA -0.177 55.932 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 0.723 120.615 119.950 -0.096 0.000 2.626 980 F HA 0.641 5.171 4.527 0.005 0.000 0.311 980 F C -0.451 175.321 175.800 -0.046 0.000 1.088 980 F CA -0.790 57.137 58.000 -0.122 0.000 0.949 980 F CB 2.348 41.272 39.000 -0.127 0.000 1.322 980 F HN 0.571 nan 8.300 nan 0.000 0.461 981 A N 0.513 123.381 122.820 0.080 0.000 2.594 981 A HA 0.707 5.030 4.320 0.005 0.000 0.295 981 A C -0.484 176.784 177.584 -0.527 0.000 1.071 981 A CA -0.277 51.695 52.037 -0.109 0.000 0.685 981 A CB 1.189 20.145 19.000 -0.073 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 0.341 4.814 4.470 0.005 0.000 0.244 982 S C 0.682 175.063 174.600 -0.366 0.000 1.267 982 S CA 0.191 57.868 58.200 -0.870 0.000 0.988 982 S CB 0.121 63.109 63.200 -0.352 0.000 0.978 982 S HN 0.668 nan 8.310 nan 0.000 0.506 983 R N -0.234 120.071 120.500 -0.326 0.000 2.432 983 R HA 0.269 4.613 4.340 0.005 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 -0.464 0.000 1.155 983 R HN 0.604 nan 8.270 nan 0.000 0.531 984 H N -0.518 118.549 119.070 -0.005 0.000 2.505 984 H HA 0.216 4.775 4.556 0.005 0.000 0.260 984 H C 0.726 176.106 175.328 0.087 0.000 1.232 984 H CA 0.096 56.180 56.048 0.060 0.000 0.991 984 H CB 0.885 30.725 29.762 0.130 0.000 1.729 984 H HN 0.364 nan 8.280 nan 0.000 0.561 985 G N 1.919 110.787 108.800 0.114 0.000 2.258 985 G HA2 -0.308 3.655 3.960 0.005 0.000 0.274 985 G HA3 -0.308 3.655 3.960 0.005 0.000 0.274 985 G C 0.277 175.275 174.900 0.163 0.000 1.021 985 G CA 0.296 45.507 45.100 0.185 0.000 0.798 985 G HN 0.394 nan 8.290 nan 0.000 0.507 986 Q N 0.463 120.334 119.800 0.118 0.000 2.454 986 Q HA 0.432 4.775 4.340 0.005 0.000 0.255 986 Q C 0.363 176.400 176.000 0.062 0.000 1.034 986 Q CA -0.763 55.101 55.803 0.102 0.000 0.736 986 Q CB 0.575 29.400 28.738 0.144 0.000 1.210 986 Q HN 0.578 nan 8.270 nan 0.000 0.500 987 K N 0.957 121.378 120.400 0.033 0.000 2.087 987 K HA 0.907 5.230 4.320 0.005 0.000 0.255 987 K C -0.204 176.430 176.600 0.056 0.000 0.988 987 K CA -0.832 55.470 56.287 0.026 0.000 0.915 987 K CB 1.530 34.015 32.500 -0.024 0.000 1.043 987 K HN 0.507 nan 8.250 nan 0.000 0.457 988 G N 0.300 109.149 108.800 0.082 0.000 2.702 988 G HA2 0.347 4.310 3.960 0.005 0.000 0.296 988 G HA3 0.347 4.310 3.960 0.005 0.000 0.296 988 G C -1.102 173.861 174.900 0.106 0.000 1.463 988 G CA -0.629 44.525 45.100 0.090 0.000 0.890 988 G HN 0.790 nan 8.290 nan 0.000 0.534 989 T N -0.832 113.765 114.554 0.071 0.000 2.927 989 T HA 0.725 5.078 4.350 0.005 0.000 0.281 989 T C 0.651 175.416 174.700 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 0.470 nan 8.240 nan 0.000 0.518 990 I N 1.315 121.968 120.570 0.139 0.000 2.779 990 I HA 0.375 4.548 4.170 0.005 0.000 0.285 990 I C 1.500 177.651 176.117 0.057 0.000 1.134 990 I CA 0.060 61.421 61.300 0.101 0.000 1.398 990 I CB 0.866 38.941 38.000 0.124 0.000 1.404 990 I HN 1.019 nan 8.210 nan 0.000 0.587 991 G N 5.679 114.501 108.800 0.036 0.000 3.146 991 G HA2 0.406 4.369 3.960 0.005 0.000 0.238 991 G HA3 0.406 4.369 3.960 0.005 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 0.379 120.911 120.570 -0.063 0.000 2.526 992 I HA 0.308 4.481 4.170 0.005 0.000 0.305 992 I C -1.575 174.369 176.117 -0.288 0.000 1.951 992 I CA -0.642 60.534 61.300 -0.206 0.000 0.938 992 I CB 1.605 39.351 38.000 -0.424 0.000 1.543 992 I HN 0.091 nan 8.210 nan 0.000 0.609 993 T N 2.472 116.877 114.554 -0.249 0.000 2.856 993 T HA 0.640 4.993 4.350 0.005 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 0.599 120.909 120.300 0.016 0.000 2.429 994 Y HA 0.539 5.092 4.550 0.005 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 2.218 40.737 38.460 0.099 0.000 1.214 994 Y HN 0.465 nan 8.280 nan 0.000 0.455 995 R N 1.110 121.733 120.500 0.205 0.000 2.560 995 R HA 0.188 4.532 4.340 0.005 0.000 0.270 995 R C 1.313 177.676 176.300 0.104 0.000 1.074 995 R CA -0.411 55.755 56.100 0.109 0.000 1.140 995 R CB 0.753 31.094 30.300 0.068 0.000 1.073 995 R HN 0.749 nan 8.270 nan 0.000 0.527 996 R N 1.490 122.030 120.500 0.067 0.000 2.189 996 R HA -0.321 4.022 4.340 0.005 0.000 0.252 996 R C 1.294 177.641 176.300 0.078 0.000 1.134 996 R CA 2.660 58.795 56.100 0.060 0.000 0.954 996 R CB -0.080 30.233 30.300 0.021 0.000 0.890 996 R HN 0.668 nan 8.270 nan 0.000 0.443 997 E N 0.621 120.856 120.200 0.060 0.000 2.012 997 E HA -0.203 4.150 4.350 0.005 0.000 0.197 997 E C 1.682 178.373 176.600 0.151 0.000 1.007 997 E CA 1.839 58.285 56.400 0.077 0.000 0.816 997 E CB -0.451 29.274 29.700 0.041 0.000 0.762 997 E HN 0.489 nan 8.360 nan 0.000 0.451 998 D N 0.217 120.690 120.400 0.122 0.000 2.315 998 D HA -0.147 4.496 4.640 0.005 0.000 0.211 998 D C 0.602 177.031 176.300 0.215 0.000 0.977 998 D CA 0.645 54.740 54.000 0.159 0.000 0.894 998 D CB -0.183 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 1.595 121.314 119.600 0.198 0.000 2.240 999 M HA 0.155 4.638 4.480 0.005 0.000 0.333 999 M C -2.280 174.075 176.300 0.090 0.000 1.110 999 M CA -1.695 53.690 55.300 0.141 0.000 1.173 999 M CB 1.011 33.682 32.600 0.118 0.000 1.458 999 M HN -0.247 nan 8.290 nan 0.000 0.458 1000 P HA 0.218 nan 4.420 nan 0.000 0.274 1000 P C -1.497 175.809 177.300 0.010 0.000 1.231 1000 P CA -0.077 62.900 63.100 -0.205 0.000 0.790 1000 P CB 0.259 31.653 31.700 -0.509 0.000 0.951 1001 F N -1.928 118.028 119.950 0.010 0.000 2.603 1001 F HA 0.677 5.207 4.527 0.005 0.000 0.317 1001 F C -0.168 175.626 175.800 -0.010 0.000 1.066 1001 F CA -1.323 56.667 58.000 -0.017 0.000 0.941 1001 F CB 0.810 39.807 39.000 -0.004 0.000 1.291 1001 F HN 0.144 nan 8.300 nan 0.000 0.472 1002 T N 0.768 115.415 114.554 0.154 0.000 2.909 1002 T HA 0.500 4.853 4.350 0.005 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 1.277 69.998 68.868 -0.244 0.000 0.975 1002 T HN 0.951 nan 8.240 nan 0.000 0.509 1003 A N 3.134 126.129 122.820 0.293 0.000 1.986 1003 A HA -0.095 4.228 4.320 0.005 0.000 0.220 1003 A C 2.000 179.637 177.584 0.087 0.000 1.171 1003 A CA 1.682 53.866 52.037 0.244 0.000 0.640 1003 A CB -0.532 18.628 19.000 0.267 0.000 0.811 1003 A HN 0.954 nan 8.150 nan 0.000 0.451 1004 E N -1.805 118.438 120.200 0.072 0.000 2.338 1004 E HA 0.088 4.441 4.350 0.005 0.000 0.197 1004 E C 1.310 177.909 176.600 -0.001 0.000 1.007 1004 E CA 0.508 56.928 56.400 0.033 0.000 0.849 1004 E CB -0.197 29.540 29.700 0.060 0.000 0.774 1004 E HN 0.839 nan 8.360 nan 0.000 0.506 1005 G N 1.293 110.094 108.800 0.001 0.000 2.176 1005 G HA2 -0.249 3.714 3.960 0.005 0.000 0.232 1005 G HA3 -0.249 3.714 3.960 0.005 0.000 0.232 1005 G C 0.297 175.183 174.900 -0.023 0.000 0.986 1005 G CA -0.100 44.966 45.100 -0.057 0.000 0.643 1005 G HN 0.167 nan 8.290 nan 0.000 0.522 1006 I N 0.456 121.023 120.570 -0.006 0.000 2.638 1006 I HA 0.535 4.708 4.170 0.005 0.000 0.286 1006 I C 0.545 176.682 176.117 0.034 0.000 1.088 1006 I CA -0.504 60.802 61.300 0.010 0.000 1.397 1006 I CB 1.513 39.511 38.000 -0.004 0.000 1.414 1006 I HN -0.029 nan 8.210 nan 0.000 0.566 1007 V N 6.765 126.760 119.914 0.136 0.000 3.007 1007 V HA 0.544 4.667 4.120 0.005 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 0.200 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 0.516 120.847 120.400 -0.115 0.000 2.305 1009 D HA 0.105 4.748 4.640 0.005 0.000 0.206 1009 D C 0.360 176.568 176.300 -0.152 0.000 0.974 1009 D CA 1.025 54.953 54.000 -0.120 0.000 0.871 1009 D CB 0.282 40.986 40.800 -0.159 0.000 0.947 1009 D HN 0.179 nan 8.370 nan 0.000 0.516 1010 L N 0.256 121.355 121.223 -0.207 0.000 2.466 1010 L HA 0.437 4.780 4.340 0.005 0.000 0.258 1010 L C -1.819 174.921 176.870 -0.217 0.000 0.973 1010 L CA -0.591 54.105 54.840 -0.239 0.000 0.826 1010 L CB 2.501 44.332 42.059 -0.380 0.000 1.372 1010 L HN -0.248 nan 8.230 nan 0.000 0.409 1011 I N 5.298 125.779 120.570 -0.148 0.000 2.499 1011 I HA 0.518 4.691 4.170 0.005 0.000 0.288 1011 I C -0.507 175.578 176.117 -0.053 0.000 1.048 1011 I CA -0.638 60.605 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 2.523 123.070 120.570 -0.038 0.000 2.648 1012 I HA 0.553 4.726 4.170 0.005 0.000 0.304 1012 I C -0.500 175.623 176.117 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 6.559 125.275 118.700 0.026 0.000 2.470 1013 N HA 0.223 4.966 4.740 0.005 0.000 0.268 1013 N C -1.619 173.870 175.510 -0.035 0.000 1.136 1013 N CA -1.893 51.168 53.050 0.019 0.000 0.961 1013 N CB 1.325 39.855 38.487 0.072 0.000 1.067 1013 N HN 0.513 nan 8.380 nan 0.000 0.468 1014 P HA -0.181 nan 4.420 nan 0.000 0.217 1014 P C 0.719 177.932 177.300 -0.144 0.000 1.148 1014 P CA 1.413 64.411 63.100 -0.169 0.000 0.834 1014 P CB 0.027 31.589 31.700 -0.230 0.000 0.783 1015 H N 0.205 119.263 119.070 -0.019 0.000 2.541 1015 H HA 0.070 4.629 4.556 0.005 0.000 0.289 1015 H C 1.267 176.579 175.328 -0.026 0.000 1.054 1015 H CA 1.102 57.139 56.048 -0.019 0.000 1.250 1015 H CB -0.497 29.259 29.762 -0.009 0.000 1.369 1015 H HN 0.173 nan 8.280 nan 0.000 0.578 1016 A N 0.359 123.220 122.820 0.068 0.000 2.988 1016 A HA 0.322 4.645 4.320 0.005 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 18.564 19.000 0.027 0.000 1.071 1016 A HN 0.268 nan 8.150 nan 0.000 0.608 1017 I N -1.971 118.583 120.570 -0.028 0.000 4.079 1017 I HA 0.075 4.248 4.170 0.005 0.000 0.276 1017 I C -1.134 174.956 176.117 -0.045 0.000 1.146 1017 I CA -0.279 60.976 61.300 -0.074 0.000 1.324 1017 I CB -0.811 37.101 38.000 -0.146 0.000 1.638 1017 I HN 0.067 nan 8.210 nan 0.000 0.436 1018 P HA -0.207 nan 4.420 nan 0.000 0.217 1018 P C 1.773 179.072 177.300 -0.002 0.000 1.158 1018 P CA 2.485 65.578 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 -0.827 114.878 115.700 0.009 0.000 2.377 1019 S HA -0.072 4.401 4.470 0.005 0.000 0.223 1019 S C 1.759 176.370 174.600 0.018 0.000 1.030 1019 S CA 0.519 58.727 58.200 0.014 0.000 0.970 1019 S CB -0.855 62.355 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 4.544 4.340 0.005 0.000 0.199 1020 R C 0.573 176.886 176.300 0.022 0.000 1.018 1020 R CA 0.440 56.561 56.100 0.035 0.000 1.036 1020 R CB -0.932 29.398 30.300 0.049 0.000 0.899 1020 R HN 0.474 nan 8.270 nan 0.000 0.473 1021 M N 0.536 120.138 119.600 0.004 0.000 2.237 1021 M HA -0.175 4.308 4.480 0.005 0.000 0.198 1021 M C 0.196 176.498 176.300 0.004 0.000 0.321 1021 M CA 1.165 56.464 55.300 -0.002 0.000 0.398 1021 M CB -2.473 30.131 32.600 0.006 0.000 1.251 1021 M HN 0.000 nan 8.290 nan 0.000 0.921 1022 T N 0.379 114.932 114.554 -0.002 0.000 3.629 1022 T HA 0.419 4.772 4.350 0.005 0.000 0.317 1022 T C 1.257 175.927 174.700 -0.050 0.000 1.690 1022 T CA -0.279 61.830 62.100 0.016 0.000 1.276 1022 T CB -0.095 68.816 68.868 0.073 0.000 1.205 1022 T HN 0.282 nan 8.240 nan 0.000 0.824 1023 V N 2.990 122.878 119.914 -0.043 0.000 2.332 1023 V HA -0.165 3.958 4.120 0.005 0.000 0.248 1023 V C 2.942 178.963 176.094 -0.121 0.000 1.055 1023 V CA 2.110 64.362 62.300 -0.079 0.000 1.038 1023 V CB -1.186 30.616 31.823 -0.036 0.000 0.651 1023 V HN 0.845 nan 8.190 nan 0.000 0.450 1024 A N -0.389 122.374 122.820 -0.095 0.000 1.940 1024 A HA -0.386 3.937 4.320 0.005 0.000 0.221 1024 A C 2.207 179.612 177.584 -0.298 0.000 1.190 1024 A CA 2.508 54.481 52.037 -0.106 0.000 0.647 1024 A CB -1.010 18.061 19.000 0.118 0.000 0.821 1024 A HN 0.727 nan 8.150 nan 0.000 0.457 1025 H N 0.392 118.965 119.070 -0.828 0.000 2.252 1025 H HA -0.182 4.377 4.556 0.005 0.000 0.292 1025 H C 1.940 177.166 175.328 -0.170 0.000 1.082 1025 H CA 2.346 57.999 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 4.075 4.340 0.005 0.000 0.220 1026 L C 3.096 180.047 176.870 0.136 0.000 1.076 1026 L CA 1.783 56.633 54.840 0.017 0.000 0.772 1026 L CB -0.729 41.161 42.059 -0.281 0.000 0.892 1026 L HN 0.268 nan 8.230 nan 0.000 0.435 1027 I N -0.108 120.447 120.570 -0.024 0.000 2.074 1027 I HA -0.418 3.756 4.170 0.005 0.000 0.238 1027 I C 2.637 178.818 176.117 0.107 0.000 1.037 1027 I CA 2.150 63.409 61.300 -0.068 0.000 1.301 1027 I CB -0.722 37.033 38.000 -0.408 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 0.204 0.000 2.197 1028 E HA -0.342 4.011 4.350 0.005 0.000 0.205 1028 E C 2.331 179.014 176.600 0.138 0.000 1.029 1028 E CA 2.197 58.737 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 -0.326 119.064 119.300 0.151 0.000 2.462 1029 C HA -0.092 4.371 4.460 0.005 0.000 0.278 1029 C C 2.598 177.584 174.990 -0.007 0.000 1.253 1029 C CA 0.777 59.844 59.018 0.083 0.000 1.713 1029 C CB -1.204 26.662 27.740 0.209 0.000 2.049 1029 C HN 0.623 nan 8.230 nan 0.000 0.477 1030 L N 0.699 121.960 121.223 0.063 0.000 1.978 1030 L HA -0.158 4.185 4.340 0.005 0.000 0.218 1030 L C 2.323 179.192 176.870 -0.001 0.000 1.075 1030 L CA 2.190 57.035 54.840 0.009 0.000 0.767 1030 L CB -1.045 41.057 42.059 0.071 0.000 0.890 1030 L HN 0.395 nan 8.230 nan 0.000 0.434 1031 L N -1.116 120.140 121.223 0.055 0.000 1.955 1031 L HA -0.232 4.112 4.340 0.005 0.000 0.213 1031 L C 2.578 179.453 176.870 0.008 0.000 1.072 1031 L CA 2.249 57.126 54.840 0.063 0.000 0.755 1031 L CB -1.081 41.075 42.059 0.163 0.000 0.888 1031 L HN 0.302 nan 8.230 nan 0.000 0.432 1032 S N -0.765 114.940 115.700 0.008 0.000 2.420 1032 S HA -0.265 4.208 4.470 0.005 0.000 0.237 1032 S C 1.909 176.472 174.600 -0.062 0.000 1.023 1032 S CA 1.640 59.828 58.200 -0.020 0.000 0.991 1032 S CB -0.339 62.861 63.200 0.001 0.000 0.792 1032 S HN 0.424 nan 8.310 nan 0.000 0.488 1033 K N 0.873 121.217 120.400 -0.094 0.000 1.967 1033 K HA -0.041 4.282 4.320 0.005 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 3.750 4.120 0.005 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 0.614 nan 8.190 nan 0.000 0.446 1035 A N -0.403 122.359 122.820 -0.097 0.000 1.859 1035 A HA -0.254 4.069 4.320 0.005 0.000 0.217 1035 A C 2.446 179.986 177.584 -0.073 0.000 1.198 1035 A CA 2.889 54.886 52.037 -0.067 0.000 0.629 1035 A CB -1.184 17.791 19.000 -0.043 0.000 0.830 1035 A HN 0.728 nan 8.150 nan 0.000 0.446 1036 A N -0.569 122.208 122.820 -0.073 0.000 1.917 1036 A HA -0.113 4.211 4.320 0.005 0.000 0.219 1036 A C 2.227 179.774 177.584 -0.062 0.000 1.182 1036 A CA 1.707 53.711 52.037 -0.055 0.000 0.633 1036 A CB -0.709 18.259 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 4.146 4.340 0.005 0.000 0.213 1037 L C 2.679 179.509 176.870 -0.068 0.000 1.072 1037 L CA 1.911 56.669 54.840 -0.137 0.000 0.755 1037 L CB -0.505 41.327 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 -0.132 0.000 2.710 1038 S HA 0.156 4.630 4.470 0.005 0.000 0.224 1038 S C 1.320 175.950 174.600 0.050 0.000 0.948 1038 S CA 0.141 58.388 58.200 0.078 0.000 0.949 1038 S CB -0.225 63.069 63.200 0.158 0.000 0.778 1038 S HN 0.567 nan 8.310 nan 0.000 0.498 1039 G N 1.854 110.662 108.800 0.014 0.000 2.390 1039 G HA2 -0.251 3.712 3.960 0.005 0.000 0.299 1039 G HA3 -0.251 3.712 3.960 0.005 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 0.012 0.000 0.979 1039 G HN 0.585 nan 8.290 nan 0.000 0.513 1040 N N -0.053 118.647 118.700 0.002 0.000 2.321 1040 N HA 0.317 5.060 4.740 0.005 0.000 0.299 1040 N C -0.287 175.212 175.510 -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 0.507 120.691 120.200 -0.027 0.000 2.366 1041 E HA 0.189 4.543 4.350 0.005 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 3.781 112.545 108.800 -0.061 0.000 2.364 1042 G HA2 0.011 3.974 3.960 0.005 0.000 0.267 1042 G HA3 0.011 3.974 3.960 0.005 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 0.569 nan 8.290 nan 0.000 0.490 1043 D N 1.864 122.212 120.400 -0.088 0.000 2.494 1043 D HA 0.391 5.035 4.640 0.005 0.000 0.217 1043 D C 0.832 176.996 176.300 -0.226 0.000 1.153 1043 D CA -0.484 53.426 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 2.891 125.409 122.820 -0.504 0.000 3.163 1044 A HA 0.291 4.615 4.320 0.005 0.000 0.283 1044 A C 0.597 177.671 177.584 -0.850 0.000 1.412 1044 A CA -0.520 50.755 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 4.737 4.470 0.005 0.000 0.278 1045 S C -1.425 173.109 174.600 -0.110 0.000 1.333 1045 S CA -0.835 57.221 58.200 -0.240 0.000 1.048 1045 S CB 0.912 64.008 63.200 -0.173 0.000 0.900 1045 S HN 0.358 nan 8.310 nan 0.000 0.505 1046 P HA -0.136 nan 4.420 nan 0.000 0.212 1046 P C -0.120 177.038 177.300 -0.237 0.000 0.907 1046 P CA 1.167 64.056 63.100 -0.351 0.000 0.993 1046 P CB -0.024 31.188 31.700 -0.813 0.000 0.646 1047 F N 0.040 120.149 119.950 0.266 0.000 2.600 1047 F HA 0.234 4.764 4.527 0.005 0.000 0.345 1047 F C 1.143 177.108 175.800 0.275 0.000 1.271 1047 F CA -0.202 57.942 58.000 0.240 0.000 1.138 1047 F CB -1.239 37.881 39.000 0.201 0.000 1.449 1047 F HN 0.002 nan 8.300 nan 0.000 0.645 1048 T N -2.756 111.996 114.554 0.330 0.000 2.804 1048 T HA 0.297 4.650 4.350 0.005 0.000 0.290 1048 T C -0.120 174.720 174.700 0.234 0.000 1.099 1048 T CA -0.941 61.328 62.100 0.283 0.000 1.011 1048 T CB 2.035 71.050 68.868 0.245 0.000 1.291 1048 T HN 0.140 nan 8.240 nan 0.000 0.523 1049 D N 0.490 121.004 120.400 0.189 0.000 2.460 1049 D HA 0.321 4.964 4.640 0.005 0.000 0.229 1049 D C -0.073 176.310 176.300 0.138 0.000 1.170 1049 D CA -0.142 53.948 54.000 0.151 0.000 0.827 1049 D CB -0.203 40.669 40.800 0.121 0.000 0.973 1049 D HN 0.484 nan 8.370 nan 0.000 0.496 1050 I N 1.249 121.920 120.570 0.169 0.000 2.379 1050 I HA 0.025 4.198 4.170 0.005 0.000 0.290 1050 I C 0.689 176.853 176.117 0.078 0.000 1.063 1050 I CA 0.294 61.680 61.300 0.143 0.000 1.351 1050 I CB 0.942 39.074 38.000 0.220 0.000 1.410 1050 I HN -0.270 nan 8.210 nan 0.000 0.505 1051 T N 5.363 119.944 114.554 0.044 0.000 2.934 1051 T HA 0.168 4.522 4.350 0.005 0.000 0.283 1051 T C 1.201 175.873 174.700 -0.046 0.000 1.005 1051 T CA -0.576 61.526 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 1.469 121.339 119.914 -0.072 0.000 2.809 1052 V HA -0.064 4.059 4.120 0.005 0.000 0.256 1052 V C 2.284 178.372 176.094 -0.009 0.000 1.080 1052 V CA 1.453 63.706 62.300 -0.077 0.000 1.102 1052 V CB -0.447 31.325 31.823 -0.085 0.000 0.705 1052 V HN 0.716 nan 8.190 nan 0.000 0.475 1053 E N 0.685 120.891 120.200 0.009 0.000 2.004 1053 E HA -0.089 4.264 4.350 0.005 0.000 0.192 1053 E C 2.389 179.011 176.600 0.037 0.000 0.987 1053 E CA 1.305 57.722 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 1.889 110.711 108.800 0.038 0.000 2.661 1054 G HA2 -0.302 3.661 3.960 0.005 0.000 0.224 1054 G HA3 -0.302 3.661 3.960 0.005 0.000 0.224 1054 G C 1.715 176.646 174.900 0.053 0.000 1.114 1054 G CA 1.409 46.537 45.100 0.047 0.000 0.751 1054 G HN 0.202 nan 8.290 nan 0.000 0.609 1055 I N 0.427 121.023 120.570 0.044 0.000 2.235 1055 I HA -0.116 4.057 4.170 0.005 0.000 0.241 1055 I C 2.962 179.115 176.117 0.060 0.000 1.085 1055 I CA 1.194 62.524 61.300 0.050 0.000 1.378 1055 I CB -0.365 37.654 38.000 0.032 0.000 1.076 1055 I HN 0.112 nan 8.210 nan 0.000 0.415 1056 S N 0.759 116.493 115.700 0.056 0.000 2.400 1056 S HA -0.198 4.275 4.470 0.005 0.000 0.232 1056 S C 1.906 176.555 174.600 0.081 0.000 1.025 1056 S CA 1.314 59.558 58.200 0.073 0.000 0.993 1056 S CB -0.245 62.999 63.200 0.073 0.000 0.808 1056 S HN 0.365 nan 8.310 nan 0.000 0.478 1057 K N 0.816 121.259 120.400 0.071 0.000 2.057 1057 K HA 0.065 4.388 4.320 0.005 0.000 0.206 1057 K C 1.986 178.639 176.600 0.088 0.000 1.050 1057 K CA 0.870 57.199 56.287 0.070 0.000 0.935 1057 K CB -0.267 32.267 32.500 0.057 0.000 0.715 1057 K HN 0.313 nan 8.250 nan 0.000 0.439 1058 L N 0.569 121.852 121.223 0.101 0.000 2.056 1058 L HA -0.161 4.183 4.340 0.005 0.000 0.207 1058 L C 2.434 179.440 176.870 0.226 0.000 1.078 1058 L CA 0.624 55.552 54.840 0.147 0.000 0.749 1058 L CB -0.481 41.659 42.059 0.135 0.000 0.901 1058 L HN 0.190 nan 8.230 nan 0.000 0.433 1059 L N 0.398 121.723 121.223 0.171 0.000 2.131 1059 L HA -0.190 4.153 4.340 0.005 0.000 0.210 1059 L C 2.666 179.684 176.870 0.247 0.000 1.092 1059 L CA 1.569 56.526 54.840 0.195 0.000 0.759 1059 L CB -0.571 41.553 42.059 0.108 0.000 0.903 1059 L HN 0.102 nan 8.230 nan 0.000 0.435 1060 R N 0.477 121.080 120.500 0.172 0.000 2.066 1060 R HA -0.130 4.213 4.340 0.005 0.000 0.232 1060 R C 2.067 178.431 176.300 0.107 0.000 1.131 1060 R CA 1.852 58.034 56.100 0.137 0.000 0.955 1060 R CB -0.688 29.668 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 4.151 4.350 0.005 0.000 0.200 1061 E C 0.792 177.350 176.600 -0.071 0.000 1.010 1061 E CA 0.908 57.308 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 -0.808 118.300 119.070 0.064 0.000 2.519 1062 H HA 0.128 4.687 4.556 0.005 0.000 0.289 1062 H C 1.092 176.422 175.328 0.003 0.000 1.040 1062 H CA 0.616 56.711 56.048 0.079 0.000 1.165 1062 H CB 0.616 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 0.787 109.600 108.800 0.022 0.000 2.179 1063 G HA2 -0.305 3.658 3.960 0.005 0.000 0.257 1063 G HA3 -0.305 3.658 3.960 0.005 0.000 0.257 1063 G C -0.356 174.406 174.900 -0.231 0.000 1.010 1063 G CA 0.278 45.302 45.100 -0.126 0.000 0.736 1063 G HN 0.438 nan 8.290 nan 0.000 0.513 1064 Y N -1.019 119.326 120.300 0.076 0.000 2.485 1064 Y HA 0.539 5.092 4.550 0.005 0.000 0.345 1064 Y C 0.521 176.460 175.900 0.064 0.000 0.998 1064 Y CA -1.029 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 1.221 121.177 119.800 0.260 0.000 2.269 1065 Q HA -0.021 4.322 4.340 0.005 0.000 0.300 1065 Q C 0.733 176.844 176.000 0.186 0.000 1.070 1065 Q CA 0.665 56.580 55.803 0.186 0.000 0.957 1065 Q CB 0.974 29.828 28.738 0.193 0.000 1.131 1065 Q HN 0.704 nan 8.270 nan 0.000 0.377 1066 S N 3.664 119.454 115.700 0.151 0.000 2.711 1066 S HA -0.056 4.417 4.470 0.005 0.000 0.237 1066 S C 0.573 175.267 174.600 0.156 0.000 0.971 1066 S CA 0.444 58.726 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 -0.725 119.907 120.500 0.220 0.000 2.513 1067 R HA 0.351 4.694 4.340 0.005 0.000 0.245 1067 R C 1.579 177.998 176.300 0.198 0.000 0.908 1067 R CA 0.686 56.954 56.100 0.280 0.000 1.023 1067 R CB -0.041 30.538 30.300 0.465 0.000 1.338 1067 R HN 0.549 nan 8.270 nan 0.000 0.575 1068 G N 0.527 109.359 108.800 0.053 0.000 2.260 1068 G HA2 -0.195 3.768 3.960 0.005 0.000 0.179 1068 G HA3 -0.195 3.768 3.960 0.005 0.000 0.179 1068 G C -0.079 174.661 174.900 -0.268 0.000 1.002 1068 G CA -0.588 44.301 45.100 -0.351 0.000 0.677 1068 G HN 0.095 nan 8.290 nan 0.000 0.486 1069 F N 1.597 121.569 119.950 0.037 0.000 2.410 1069 F HA 0.633 5.163 4.527 0.005 0.000 0.334 1069 F C 0.913 176.732 175.800 0.032 0.000 1.134 1069 F CA 0.154 58.194 58.000 0.067 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 0.621 120.945 120.200 0.206 0.000 2.343 1070 E HA 0.233 4.586 4.350 0.005 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 3.949 123.860 119.914 -0.005 0.000 2.752 1071 V HA -0.066 4.057 4.120 0.005 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 -0.119 0.000 1.240 1071 V CB -0.037 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 4.618 124.034 119.600 -0.307 0.000 2.501 1072 M HA 0.485 4.968 4.480 0.005 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 2.644 35.125 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 4.866 4.550 0.005 0.000 0.337 1073 Y C 0.499 175.889 175.900 -0.850 0.000 1.039 1073 Y CA -1.214 56.374 58.100 -0.854 0.000 1.109 1073 Y CB 0.590 38.352 38.460 -1.164 0.000 1.201 1073 Y HN 0.548 nan 8.280 nan 0.000 0.458 1074 N N 1.851 120.419 118.700 -0.221 0.000 2.434 1074 N HA -0.042 4.701 4.740 0.005 0.000 0.268 1074 N C 1.196 176.747 175.510 0.069 0.000 1.256 1074 N CA 0.791 53.827 53.050 -0.025 0.000 0.914 1074 N CB 1.279 39.758 38.487 -0.014 0.000 1.088 1074 N HN 1.042 nan 8.380 nan 0.000 0.478 1075 G N 3.764 112.689 108.800 0.208 0.000 2.505 1075 G HA2 -0.311 3.652 3.960 0.005 0.000 0.220 1075 G HA3 -0.311 3.652 3.960 0.005 0.000 0.220 1075 G C 1.102 176.215 174.900 0.354 0.000 1.145 1075 G CA 1.001 46.325 45.100 0.373 0.000 0.761 1075 G HN 0.731 nan 8.290 nan 0.000 0.571 1076 H N 0.147 119.275 119.070 0.096 0.000 2.267 1076 H HA -0.022 4.537 4.556 0.005 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 -1.058 28.683 29.762 -0.035 0.000 1.365 1076 H HN 0.277 nan 8.280 nan 0.000 0.489 1077 T N -1.314 113.364 114.554 0.207 0.000 2.978 1077 T HA 0.148 4.501 4.350 0.005 0.000 0.262 1077 T C 1.746 176.543 174.700 0.160 0.000 1.063 1077 T CA 1.361 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 0.715 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 3.675 3.960 0.005 0.000 0.251 1078 G HA3 -0.288 3.675 3.960 0.005 0.000 0.251 1078 G C 0.323 175.383 174.900 0.266 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 0.916 121.418 120.400 0.169 0.000 2.156 1079 K HA 0.425 4.748 4.320 0.005 0.000 0.242 1079 K C 0.691 177.359 176.600 0.113 0.000 1.033 1079 K CA -0.087 56.286 56.287 0.144 0.000 0.878 1079 K CB 0.201 32.740 32.500 0.065 0.000 1.057 1079 K HN 0.260 nan 8.250 nan 0.000 0.505 1080 K N 1.154 121.548 120.400 -0.009 0.000 2.098 1080 K HA 0.253 4.576 4.320 0.005 0.000 0.257 1080 K C -0.453 176.017 176.600 -0.217 0.000 0.999 1080 K CA -0.481 55.617 56.287 -0.315 0.000 0.924 1080 K CB 0.727 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 3.172 124.229 121.223 -0.277 0.000 2.265 1081 L HA 0.119 4.462 4.340 0.005 0.000 0.288 1081 L C 1.187 177.985 176.870 -0.119 0.000 1.058 1081 L CA -0.420 54.331 54.840 -0.148 0.000 0.809 1081 L CB 1.045 43.030 42.059 -0.122 0.000 1.179 1081 L HN 0.719 nan 8.230 nan 0.000 0.429 1082 M N 3.701 123.257 119.600 -0.073 0.000 2.426 1082 M HA -0.078 4.405 4.480 0.005 0.000 0.261 1082 M C 0.479 176.752 176.300 -0.045 0.000 1.068 1082 M CA 0.959 56.225 55.300 -0.056 0.000 1.066 1082 M CB -0.279 32.300 32.600 -0.035 0.000 1.399 1082 M HN 0.525 nan 8.290 nan 0.000 0.449 1083 A N 0.256 123.058 122.820 -0.030 0.000 2.311 1083 A HA 0.621 4.944 4.320 0.005 0.000 0.306 1083 A C -0.531 177.071 177.584 0.029 0.000 1.189 1083 A CA -0.882 51.156 52.037 0.001 0.000 0.791 1083 A CB 0.531 19.547 19.000 0.026 0.000 1.172 1083 A HN 0.370 nan 8.150 nan 0.000 0.481 1084 Q N 0.675 120.504 119.800 0.047 0.000 2.474 1084 Q HA 0.517 4.860 4.340 0.005 0.000 0.256 1084 Q C -0.459 175.727 176.000 0.311 0.000 1.048 1084 Q CA 0.852 56.733 55.803 0.129 0.000 0.922 1084 Q CB 0.573 29.386 28.738 0.124 0.000 1.288 1084 Q HN 0.670 nan 8.270 nan 0.000 0.484 1085 I N 0.545 121.281 120.570 0.276 0.000 2.646 1085 I HA 0.285 4.458 4.170 0.005 0.000 0.299 1085 I C -0.763 175.422 176.117 0.112 0.000 1.036 1085 I CA -1.103 60.330 61.300 0.222 0.000 1.074 1085 I CB 1.279 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 5.610 125.416 119.950 -0.240 0.000 2.494 1086 F HA 0.263 4.793 4.527 0.005 0.000 0.369 1086 F C -0.809 174.931 175.800 -0.100 0.000 1.098 1086 F CA 0.080 57.857 58.000 -0.372 0.000 1.154 1086 F CB -0.080 38.668 39.000 -0.419 0.000 1.103 1086 F HN 0.157 nan 8.300 nan 0.000 0.549 1087 F N 4.661 124.300 119.950 -0.518 0.000 2.539 1087 F HA 0.721 5.251 4.527 0.005 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 1.517 40.384 39.000 -0.222 0.000 1.176 1087 F HN 0.589 nan 8.300 nan 0.000 0.440 1088 G N 4.850 113.323 108.800 -0.545 0.000 2.441 1088 G HA2 0.444 4.407 3.960 0.005 0.000 0.294 1088 G HA3 0.444 4.407 3.960 0.005 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 -0.996 176.275 177.300 -0.049 0.000 1.294 1089 P CA -0.146 62.875 63.100 -0.132 0.000 0.827 1089 P CB 1.852 33.501 31.700 -0.084 0.000 0.992 1090 T N 2.335 116.891 114.554 0.003 0.000 2.991 1090 T HA 0.168 4.521 4.350 0.005 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 0.544 69.500 68.868 0.147 0.000 1.034 1090 T HN 0.202 nan 8.240 nan 0.000 0.446 1091 Y N 3.283 123.657 120.300 0.123 0.000 2.677 1091 Y HA 0.267 4.820 4.550 0.005 0.000 0.335 1091 Y C -0.897 175.147 175.900 0.239 0.000 1.162 1091 Y CA 0.185 58.377 58.100 0.153 0.000 1.483 1091 Y CB -0.022 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 3.867 124.071 120.300 -0.161 0.000 2.409 1092 Y HA 0.364 4.917 4.550 0.005 0.000 0.343 1092 Y C -0.278 175.653 175.900 0.052 0.000 0.973 1092 Y CA -1.118 56.999 58.100 0.028 0.000 1.064 1092 Y CB 1.601 40.152 38.460 0.151 0.000 1.207 1092 Y HN 0.485 nan 8.280 nan 0.000 0.452 1093 Q N 2.840 122.679 119.800 0.064 0.000 2.222 1093 Q HA 0.445 4.788 4.340 0.005 0.000 0.252 1093 Q C -0.481 175.518 176.000 -0.002 0.000 0.926 1093 Q CA -1.003 54.840 55.803 0.068 0.000 0.899 1093 Q CB 1.923 30.680 28.738 0.032 0.000 1.250 1093 Q HN 0.461 nan 8.270 nan 0.000 0.441 1094 R N 2.955 123.421 120.500 -0.058 0.000 2.278 1094 R HA 0.289 4.632 4.340 0.005 0.000 0.322 1094 R C -0.818 175.309 176.300 -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 -0.181 0.000 1.140 1094 R HN 0.579 nan 8.270 nan 0.000 0.518 1095 L N 4.444 125.451 121.223 -0.360 0.000 2.452 1095 L HA 0.283 4.627 4.340 0.005 0.000 0.267 1095 L C 1.121 177.824 176.870 -0.279 0.000 1.188 1095 L CA -0.334 54.352 54.840 -0.257 0.000 0.821 1095 L CB 0.375 42.307 42.059 -0.211 0.000 1.102 1095 L HN 0.568 nan 8.230 nan 0.000 0.470 1096 R N 0.619 120.970 120.500 -0.248 0.000 2.652 1096 R HA 0.303 4.646 4.340 0.005 0.000 0.272 1096 R C -0.839 175.317 176.300 -0.241 0.000 1.162 1096 R CA -0.618 55.314 56.100 -0.279 0.000 1.199 1096 R CB 0.348 30.446 30.300 -0.337 0.000 1.166 1096 R HN 0.659 nan 8.270 nan 0.000 0.597 1097 H N -0.615 118.344 119.070 -0.186 0.000 3.685 1097 H HA -0.076 4.483 4.556 0.005 0.000 0.369 1097 H C -1.297 173.918 175.328 -0.190 0.000 1.080 1097 H CA 0.476 56.422 56.048 -0.171 0.000 1.157 1097 H CB -1.083 28.584 29.762 -0.157 0.000 1.461 1097 H HN 0.617 nan 8.280 nan 0.000 0.387 1098 M N 2.487 122.043 119.600 -0.073 0.000 2.311 1098 M HA 0.267 4.750 4.480 0.005 0.000 0.325 1098 M C 1.829 178.080 176.300 -0.083 0.000 1.061 1098 M CA -0.839 54.392 55.300 -0.115 0.000 0.957 1098 M CB 2.318 34.824 32.600 -0.157 0.000 1.646 1098 M HN 0.136 nan 8.290 nan 0.000 0.434 1099 V N 1.699 121.570 119.914 -0.071 0.000 2.243 1099 V HA -0.391 3.732 4.120 0.005 0.000 0.258 1099 V C 1.583 177.649 176.094 -0.047 0.000 1.073 1099 V CA 2.498 64.767 62.300 -0.051 0.000 1.069 1099 V CB -0.530 31.270 31.823 -0.039 0.000 0.681 1099 V HN 0.907 nan 8.190 nan 0.000 0.457 1100 D N -0.363 120.005 120.400 -0.052 0.000 2.203 1100 D HA -0.157 4.486 4.640 0.005 0.000 0.199 1100 D C 1.686 177.955 176.300 -0.052 0.000 0.997 1100 D CA 1.395 55.366 54.000 -0.047 0.000 0.863 1100 D CB -0.427 40.341 40.800 -0.053 0.000 0.928 1100 D HN 0.544 nan 8.370 nan 0.000 0.458 1101 D N -0.543 119.812 120.400 -0.076 0.000 2.363 1101 D HA -0.008 4.635 4.640 0.005 0.000 0.226 1101 D C 1.454 177.736 176.300 -0.030 0.000 1.020 1101 D CA 0.509 54.464 54.000 -0.075 0.000 0.892 1101 D CB 0.244 40.977 40.800 -0.113 0.000 0.900 1101 D HN 0.317 nan 8.370 nan 0.000 0.531 1102 K N -0.370 120.017 120.400 -0.022 0.000 2.474 1102 K HA 0.228 4.551 4.320 0.005 0.000 0.202 1102 K C 1.495 178.110 176.600 0.025 0.000 1.248 1102 K CA -0.081 56.202 56.287 -0.006 0.000 0.946 1102 K CB 0.746 33.227 32.500 -0.032 0.000 1.102 1102 K HN 0.019 nan 8.250 nan 0.000 0.541 1103 I N 2.705 123.282 120.570 0.013 0.000 3.292 1103 I HA -0.223 3.950 4.170 0.005 0.000 0.309 1103 I C 0.813 176.958 176.117 0.047 0.000 1.258 1103 I CA 0.426 61.736 61.300 0.017 0.000 1.339 1103 I CB -1.912 36.089 38.000 0.001 0.000 1.062 1103 I HN 0.208 nan 8.210 nan 0.000 0.579 1104 H N 2.603 121.663 119.070 -0.018 0.000 3.144 1104 H HA 0.214 4.774 4.556 0.005 0.000 0.336 1104 H C -0.017 175.306 175.328 -0.008 0.000 1.065 1104 H CA 0.214 56.255 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 5.349 127.699 122.820 -0.783 0.000 2.495 1105 A HA 0.353 4.676 4.320 0.005 0.000 0.297 1105 A C -0.547 176.766 177.584 -0.451 0.000 1.036 1105 A CA -0.663 51.015 52.037 -0.597 0.000 0.982 1105 A CB 0.642 19.503 19.000 -0.233 0.000 1.476 1105 A HN 0.824 nan 8.150 nan 0.000 0.393 1106 R N 1.848 122.089 120.500 -0.432 0.000 2.668 1106 R HA 0.833 5.176 4.340 0.005 0.000 0.279 1106 R C -0.358 175.901 176.300 -0.068 0.000 0.976 1106 R CA 0.043 56.077 56.100 -0.111 0.000 0.978 1106 R CB 1.711 32.047 30.300 0.060 0.000 1.133 1106 R HN 1.301 nan 8.270 nan 0.000 0.484 1107 A N 4.418 127.219 122.820 -0.032 0.000 3.370 1107 A HA 0.255 4.578 4.320 0.005 0.000 0.295 1107 A C -0.847 176.725 177.584 -0.020 0.000 1.030 1107 A CA -0.497 51.521 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 -0.704 119.788 120.500 -0.015 0.000 2.022 1108 R HA -0.084 4.259 4.340 0.005 0.000 0.372 1108 R C -0.039 176.259 176.300 -0.003 0.000 1.161 1108 R CA 0.967 57.059 56.100 -0.013 0.000 0.928 1108 R CB -1.608 28.677 30.300 -0.025 0.000 2.817 1108 R HN 1.461 nan 8.270 nan 0.000 0.489 1109 G N 3.333 112.138 108.800 0.008 0.000 3.356 1109 G HA2 0.715 4.678 3.960 0.005 0.000 0.178 1109 G HA3 0.715 4.678 3.960 0.005 0.000 0.178 1109 G C -2.377 172.527 174.900 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 0.381 nan 4.420 nan 0.000 0.279 1110 P C -0.855 176.443 177.300 -0.004 0.000 1.239 1110 P CA 0.108 63.210 63.100 0.003 0.000 0.789 1110 P CB 1.527 33.233 31.700 0.009 0.000 0.933 1111 M N 1.181 120.771 119.600 -0.018 0.000 2.598 1111 M HA 0.311 4.794 4.480 0.005 0.000 0.317 1111 M C 0.410 176.694 176.300 -0.026 0.000 1.179 1111 M CA -0.904 54.382 55.300 -0.023 0.000 0.936 1111 M CB 2.112 34.687 32.600 -0.042 0.000 1.713 1111 M HN 0.379 nan 8.290 nan 0.000 0.460 1112 Q N 0.625 120.416 119.800 -0.016 0.000 2.361 1112 Q HA 0.073 4.416 4.340 0.005 0.000 0.276 1112 Q C 0.901 176.884 176.000 -0.028 0.000 1.022 1112 Q CA -0.225 55.572 55.803 -0.009 0.000 0.898 1112 Q CB 1.224 29.969 28.738 0.011 0.000 1.246 1112 Q HN 0.557 nan 8.270 nan 0.000 0.410 1113 V N 3.483 123.382 119.914 -0.024 0.000 2.548 1113 V HA -0.214 3.909 4.120 0.005 0.000 0.249 1113 V C 1.699 177.782 176.094 -0.018 0.000 1.055 1113 V CA 1.201 63.473 62.300 -0.046 0.000 1.065 1113 V CB -0.419 31.387 31.823 -0.029 0.000 0.681 1113 V HN 0.679 nan 8.190 nan 0.000 0.462 1114 L N 0.293 121.539 121.223 0.037 0.000 2.109 1114 L HA -0.045 4.298 4.340 0.005 0.000 0.207 1114 L C 2.082 179.094 176.870 0.236 0.000 1.086 1114 L CA 2.332 57.235 54.840 0.106 0.000 0.760 1114 L CB -0.519 41.581 42.059 0.068 0.000 0.910 1114 L HN 0.360 nan 8.230 nan 0.000 0.437 1115 T N -1.724 112.938 114.554 0.180 0.000 3.010 1115 T HA 0.204 4.557 4.350 0.005 0.000 0.257 1115 T C 0.638 175.513 174.700 0.292 0.000 1.020 1115 T CA -0.166 62.092 62.100 0.264 0.000 0.938 1115 T CB 0.211 69.146 68.868 0.112 0.000 1.049 1115 T HN 0.248 nan 8.240 nan 0.000 0.522 1116 R N 0.818 121.343 120.500 0.042 0.000 3.770 1116 R HA -0.152 4.191 4.340 0.005 0.000 0.305 1116 R C -0.313 175.975 176.300 -0.019 0.000 1.184 1116 R CA 0.535 56.570 56.100 -0.108 0.000 0.823 1116 R CB -1.848 28.238 30.300 -0.356 0.000 1.285 1116 R HN 0.504 nan 8.270 nan 0.000 0.499 1117 Q N -0.030 119.782 119.800 0.020 0.000 2.306 1117 Q HA 0.379 4.723 4.340 0.005 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 0.020 0.000 0.853 1117 Q CB 1.868 30.628 28.738 0.036 0.000 1.327 1117 Q HN -0.168 nan 8.270 nan 0.000 0.449 1118 P HA -0.155 nan 4.420 nan 0.000 0.266 1118 P C -0.750 176.560 177.300 0.016 0.000 1.180 1118 P CA 0.203 63.311 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 0.162 120.083 119.914 0.013 0.000 3.083 1119 V HA 0.338 4.462 4.120 0.005 0.000 0.306 1119 V C 0.331 176.426 176.094 0.002 0.000 1.077 1119 V CA -0.497 61.807 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 1.077 121.273 120.200 -0.007 0.000 2.312 1120 E HA 0.553 4.906 4.350 0.005 0.000 0.259 1120 E C 0.367 176.935 176.600 -0.054 0.000 1.122 1120 E CA 0.161 56.550 56.400 -0.019 0.000 0.922 1120 E CB 1.137 30.831 29.700 -0.009 0.000 1.109 1120 E HN 1.811 nan 8.360 nan 0.000 0.442 1121 G N 1.299 110.053 108.800 -0.077 0.000 2.825 1121 G HA2 -0.293 3.670 3.960 0.005 0.000 0.684 1121 G HA3 -0.293 3.670 3.960 0.005 0.000 0.684 1121 G C 0.270 175.013 174.900 -0.262 0.000 1.528 1121 G CA 0.286 45.312 45.100 -0.124 0.000 0.963 1121 G HN 0.766 nan 8.290 nan 0.000 0.577 1122 R N -0.380 119.919 120.500 -0.335 0.000 2.237 1122 R HA 0.209 4.552 4.340 0.005 0.000 0.195 1122 R C 2.552 178.716 176.300 -0.227 0.000 0.956 1122 R CA 1.444 57.207 56.100 -0.561 0.000 1.029 1122 R CB -0.306 29.680 30.300 -0.524 0.000 0.972 1122 R HN 0.946 nan 8.270 nan 0.000 0.493 1123 S N 1.169 116.797 115.700 -0.120 0.000 2.442 1123 S HA -0.074 4.399 4.470 0.005 0.000 0.236 1123 S C 1.652 176.231 174.600 -0.035 0.000 1.007 1123 S CA 0.673 58.847 58.200 -0.043 0.000 0.965 1123 S CB -0.175 63.017 63.200 -0.013 0.000 0.773 1123 S HN 0.469 nan 8.310 nan 0.000 0.504 1124 R N 0.668 121.129 120.500 -0.065 0.000 2.397 1124 R HA 0.201 4.544 4.340 0.005 0.000 0.241 1124 R C -0.309 175.970 176.300 -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 0.359 nan 8.270 nan 0.000 0.524 1125 D N 0.593 120.949 120.400 -0.074 0.000 2.778 1125 D HA -0.109 4.534 4.640 0.005 0.000 0.246 1125 D C 0.041 176.366 176.300 0.042 0.000 1.107 1125 D CA 0.958 54.971 54.000 0.022 0.000 0.732 1125 D CB -1.060 39.777 40.800 0.063 0.000 1.055 1125 D HN 0.384 nan 8.370 nan 0.000 0.429 1126 G N -0.556 108.207 108.800 -0.062 0.000 2.574 1126 G HA2 0.742 4.705 3.960 0.005 0.000 0.248 1126 G HA3 0.742 4.705 3.960 0.005 0.000 0.248 1126 G C 0.504 175.508 174.900 0.174 0.000 1.422 1126 G CA -0.076 45.037 45.100 0.021 0.000 1.051 1126 G HN 0.594 nan 8.290 nan 0.000 0.560 1127 G N -1.721 107.155 108.800 0.126 0.000 2.537 1127 G HA2 0.557 4.520 3.960 0.005 0.000 0.308 1127 G HA3 0.557 4.520 3.960 0.005 0.000 0.308 1127 G C -0.934 174.050 174.900 0.140 0.000 1.237 1127 G CA -0.810 44.377 45.100 0.145 0.000 0.968 1127 G HN 0.507 nan 8.290 nan 0.000 0.481 1128 L N 0.158 121.459 121.223 0.131 0.000 2.375 1128 L HA 0.458 4.801 4.340 0.005 0.000 0.271 1128 L C 0.774 177.716 176.870 0.120 0.000 1.107 1128 L CA -0.949 53.965 54.840 0.122 0.000 0.806 1128 L CB 1.320 43.447 42.059 0.113 0.000 1.146 1128 L HN 0.454 nan 8.230 nan 0.000 0.447 1129 R N 1.848 122.408 120.500 0.100 0.000 2.351 1129 R HA 0.036 4.379 4.340 0.005 0.000 0.318 1129 R C -0.624 175.758 176.300 0.136 0.000 1.055 1129 R CA 0.311 56.470 56.100 0.098 0.000 0.968 1129 R CB -0.074 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 5.338 125.302 119.950 0.023 0.000 2.899 1130 F HA 0.447 4.977 4.527 0.005 0.000 0.308 1130 F C 0.738 176.554 175.800 0.027 0.000 1.221 1130 F CA -0.439 57.580 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 1.021 109.793 108.800 -0.047 0.000 2.661 1131 G HA2 -0.069 3.894 3.960 0.005 0.000 0.272 1131 G HA3 -0.069 3.894 3.960 0.005 0.000 0.272 1131 G C 0.970 175.799 174.900 -0.118 0.000 1.296 1131 G CA -0.212 44.857 45.100 -0.050 0.000 0.998 1131 G HN 0.444 nan 8.290 nan 0.000 0.553 1132 E N -0.838 119.327 120.200 -0.059 0.000 2.082 1132 E HA -0.297 4.056 4.350 0.005 0.000 0.215 1132 E C 2.528 179.069 176.600 -0.099 0.000 1.048 1132 E CA 1.961 58.328 56.400 -0.054 0.000 0.869 1132 E CB -0.229 29.450 29.700 -0.035 0.000 0.773 1132 E HN 0.517 nan 8.360 nan 0.000 0.466 1133 M N 0.332 119.866 119.600 -0.110 0.000 2.082 1133 M HA -0.240 4.243 4.480 0.005 0.000 0.258 1133 M C 2.008 178.200 176.300 -0.180 0.000 1.069 1133 M CA 1.730 56.958 55.300 -0.120 0.000 1.102 1133 M CB -0.029 32.511 32.600 -0.101 0.000 1.336 1133 M HN -0.025 nan 8.290 nan 0.000 0.404 1134 E N -0.512 119.498 120.200 -0.316 0.000 2.077 1134 E HA -0.189 4.164 4.350 0.005 0.000 0.193 1134 E C 1.885 178.227 176.600 -0.429 0.000 0.989 1134 E CA 1.078 57.180 56.400 -0.496 0.000 0.800 1134 E CB -0.415 28.674 29.700 -1.018 0.000 0.746 1134 E HN 0.383 nan 8.360 nan 0.000 0.452 1135 R N 0.869 121.151 120.500 -0.364 0.000 2.082 1135 R HA -0.193 4.150 4.340 0.005 0.000 0.234 1135 R C 1.362 177.677 176.300 0.025 0.000 1.136 1135 R CA 1.971 58.067 56.100 -0.007 0.000 0.935 1135 R CB -0.341 29.995 30.300 0.061 0.000 0.842 1135 R HN 0.175 nan 8.270 nan 0.000 0.430 1136 D N 0.320 120.702 120.400 -0.031 0.000 2.149 1136 D HA -0.214 4.429 4.640 0.005 0.000 0.194 1136 D C 2.034 178.310 176.300 -0.039 0.000 1.001 1136 D CA 1.552 55.536 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 -0.118 4.346 4.460 0.005 0.000 0.277 1137 C C 2.772 177.749 174.990 -0.022 0.000 1.249 1137 C CA 0.373 59.339 59.018 -0.087 0.000 1.725 1137 C CB -0.701 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 0.720 120.397 119.600 0.128 0.000 2.117 1138 M HA -0.071 4.412 4.480 0.005 0.000 0.262 1138 M C 1.985 178.382 176.300 0.161 0.000 1.065 1138 M CA 1.568 57.010 55.300 0.237 0.000 1.114 1138 M CB -1.374 31.474 32.600 0.413 0.000 1.361 1138 M HN 0.377 nan 8.290 nan 0.000 0.408 1139 I N 0.124 120.758 120.570 0.107 0.000 2.208 1139 I HA -0.272 3.901 4.170 0.005 0.000 0.245 1139 I C 2.509 178.640 176.117 0.022 0.000 1.097 1139 I CA 1.292 62.634 61.300 0.070 0.000 1.363 1139 I CB -0.708 37.320 38.000 0.046 0.000 1.051 1139 I HN 0.227 nan 8.210 nan 0.000 0.413 1140 A N -0.178 122.614 122.820 -0.047 0.000 1.972 1140 A HA -0.221 4.102 4.320 0.005 0.000 0.219 1140 A C 2.029 179.530 177.584 -0.140 0.000 1.169 1140 A CA 1.489 53.452 52.037 -0.125 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 -1.037 118.030 119.070 -0.004 0.000 2.547 1141 H HA 0.169 4.728 4.556 0.005 0.000 0.266 1141 H C 1.771 177.095 175.328 -0.006 0.000 0.988 1141 H CA 0.496 56.532 56.048 -0.018 0.000 1.147 1141 H CB -0.209 29.524 29.762 -0.047 0.000 1.365 1141 H HN 0.607 nan 8.280 nan 0.000 0.589 1142 G N 0.800 109.663 108.800 0.105 0.000 2.187 1142 G HA2 -0.302 3.661 3.960 0.005 0.000 0.261 1142 G HA3 -0.302 3.661 3.960 0.005 0.000 0.261 1142 G C 0.635 175.588 174.900 0.088 0.000 1.000 1142 G CA 0.439 45.586 45.100 0.078 0.000 0.718 1142 G HN 0.632 nan 8.290 nan 0.000 0.519 1143 A N -0.172 122.718 122.820 0.116 0.000 3.078 1143 A HA 0.817 5.140 4.320 0.005 0.000 0.279 1143 A C 1.743 179.424 177.584 0.162 0.000 1.594 1143 A CA 0.948 53.053 52.037 0.113 0.000 1.301 1143 A CB -0.282 18.756 19.000 0.064 0.000 1.162 1143 A HN 1.711 nan 8.150 nan 0.000 0.585 1144 A N 1.026 123.917 122.820 0.118 0.000 1.873 1144 A HA -0.135 4.188 4.320 0.005 0.000 0.218 1144 A C 2.504 180.155 177.584 0.112 0.000 1.193 1144 A CA 2.398 54.500 52.037 0.107 0.000 0.629 1144 A CB -0.883 18.160 19.000 0.071 0.000 0.826 1144 A HN 0.595 nan 8.150 nan 0.000 0.447 1145 S N -1.367 114.394 115.700 0.102 0.000 2.359 1145 S HA -0.193 4.280 4.470 0.005 0.000 0.223 1145 S C 1.664 176.317 174.600 0.088 0.000 1.039 1145 S CA 1.698 59.946 58.200 0.080 0.000 1.042 1145 S CB -0.587 62.655 63.200 0.070 0.000 0.915 1145 S HN 0.620 nan 8.310 nan 0.000 0.439 1146 F N 2.070 122.018 119.950 -0.004 0.000 2.063 1146 F HA -0.195 4.335 4.527 0.005 0.000 0.298 1146 F C 2.008 177.782 175.800 -0.043 0.000 1.109 1146 F CA 1.512 59.497 58.000 -0.024 0.000 1.212 1146 F CB -0.577 38.421 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 3.986 4.340 0.005 0.000 0.218 1147 L C 2.763 179.565 176.870 -0.113 0.000 1.075 1147 L CA 2.394 57.272 54.840 0.064 0.000 0.767 1147 L CB -0.756 41.412 42.059 0.182 0.000 0.890 1147 L HN 0.264 nan 8.230 nan 0.000 0.434 1148 K N -0.047 120.322 120.400 -0.053 0.000 2.044 1148 K HA -0.305 4.018 4.320 0.005 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 -0.067 0.000 0.927 1148 K CB -0.262 32.223 32.500 -0.025 0.000 0.713 1148 K HN 0.352 nan 8.250 nan 0.000 0.443 1149 E N -0.108 119.966 120.200 -0.210 0.000 2.204 1149 E HA -0.196 4.157 4.350 0.005 0.000 0.195 1149 E C 2.024 178.389 176.600 -0.392 0.000 0.990 1149 E CA 0.753 56.992 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 -0.169 119.987 120.500 -0.574 0.000 2.066 1150 R HA -0.007 4.336 4.340 0.005 0.000 0.224 1150 R C 1.857 177.906 176.300 -0.418 0.000 1.122 1150 R CA 0.482 56.169 56.100 -0.688 0.000 0.974 1150 R CB -0.289 29.299 30.300 -1.188 0.000 0.871 1150 R HN 0.175 nan 8.270 nan 0.000 0.435 1151 L N -0.001 121.057 121.223 -0.275 0.000 2.627 1151 L HA 0.147 4.490 4.340 0.005 0.000 0.233 1151 L C 1.472 178.290 176.870 -0.086 0.000 1.144 1151 L CA 0.878 55.645 54.840 -0.121 0.000 0.892 1151 L CB -0.280 41.758 42.059 -0.036 0.000 1.039 1151 L HN 0.110 nan 8.230 nan 0.000 0.442 1152 M N -1.947 117.583 119.600 -0.117 0.000 2.144 1152 M HA 0.098 4.581 4.480 0.005 0.000 0.178 1152 M C 1.502 177.751 176.300 -0.084 0.000 1.932 1152 M CA 0.287 55.543 55.300 -0.073 0.000 1.017 1152 M CB -0.013 32.553 32.600 -0.056 0.000 1.497 1152 M HN -0.014 nan 8.290 nan 0.000 0.614 1153 E N 1.440 121.575 120.200 -0.109 0.000 2.284 1153 E HA -0.053 4.301 4.350 0.005 0.000 0.200 1153 E C 0.304 176.841 176.600 -0.106 0.000 1.008 1153 E CA 0.862 57.198 56.400 -0.107 0.000 0.829 1153 E CB -0.058 29.572 29.700 -0.117 0.000 0.744 1153 E HN 0.352 nan 8.360 nan 0.000 0.491 1154 A N 0.944 123.687 122.820 -0.129 0.000 2.311 1154 A HA 0.558 4.881 4.320 0.005 0.000 0.306 1154 A C 0.115 177.641 177.584 -0.096 0.000 1.189 1154 A CA 0.056 52.022 52.037 -0.119 0.000 0.791 1154 A CB 0.757 19.658 19.000 -0.166 0.000 1.172 1154 A HN 0.219 nan 8.150 nan 0.000 0.481 1155 S N 2.258 117.922 115.700 -0.060 0.000 3.864 1155 S HA -0.172 4.302 4.470 0.005 0.000 0.633 1155 S C -0.531 174.058 174.600 -0.018 0.000 2.048 1155 S CA 0.350 58.531 58.200 -0.033 0.000 2.651 1155 S CB -1.765 61.418 63.200 -0.028 0.000 0.315 1155 S HN 1.044 nan 8.310 nan 0.000 1.413 1156 D N 2.928 123.335 120.400 0.010 0.000 2.752 1156 D HA 0.443 5.086 4.640 0.005 0.000 0.225 1156 D C 0.284 176.614 176.300 0.050 0.000 1.104 1156 D CA 1.959 55.991 54.000 0.053 0.000 0.832 1156 D CB 0.106 40.950 40.800 0.075 0.000 1.161 1156 D HN 1.469 nan 8.370 nan 0.000 0.505 1157 A N 2.524 125.398 122.820 0.090 0.000 2.500 1157 A HA 0.512 4.836 4.320 0.005 0.000 0.291 1157 A C -1.574 176.138 177.584 0.214 0.000 1.048 1157 A CA -0.774 51.315 52.037 0.087 0.000 0.791 1157 A CB 1.118 20.121 19.000 0.005 0.000 1.309 1157 A HN 0.267 nan 8.150 nan 0.000 0.397 1158 F N 2.342 122.310 119.950 0.030 0.000 2.650 1158 F HA 0.650 5.180 4.527 0.006 0.000 0.310 1158 F C -1.060 174.796 175.800 0.093 0.000 1.112 1158 F CA -0.900 57.136 58.000 0.060 0.000 0.986 1158 F CB 1.491 40.577 39.000 0.144 0.000 1.285 1158 F HN 0.650 nan 8.300 nan 0.000 0.440 1159 R N 4.936 125.371 120.500 -0.109 0.000 2.338 1159 R HA 0.747 5.090 4.340 0.005 0.000 0.317 1159 R C -2.035 173.778 176.300 -0.812 0.000 0.968 1159 R CA -0.311 55.620 56.100 -0.282 0.000 0.849 1159 R CB 1.405 31.689 30.300 -0.027 0.000 1.128 1159 R HN 0.562 nan 8.270 nan 0.000 0.448 1160 V N 4.370 123.862 119.914 -0.704 0.000 2.769 1160 V HA 0.400 4.523 4.120 0.005 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 3.895 122.871 119.070 -0.157 0.000 2.459 1161 H HA 0.643 5.202 4.556 0.005 0.000 0.332 1161 H C -0.706 174.545 175.328 -0.128 0.000 1.094 1161 H CA -0.203 55.751 56.048 -0.157 0.000 1.224 1161 H CB 1.835 31.498 29.762 -0.166 0.000 1.449 1161 H HN 0.439 nan 8.280 nan 0.000 0.484 1162 I N 1.207 121.770 120.570 -0.011 0.000 2.740 1162 I HA 0.133 4.306 4.170 0.005 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 2.364 40.309 38.000 -0.091 0.000 1.249 1162 I HN 0.464 nan 8.210 nan 0.000 0.433 1163 C N 3.920 123.183 119.300 -0.061 0.000 2.555 1163 C HA 0.327 4.790 4.460 0.005 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 -0.047 0.000 1.757 1163 C CB -0.786 26.926 27.740 -0.048 0.000 2.445 1163 C HN 1.038 nan 8.230 nan 0.000 0.571 1164 G N 4.893 113.727 108.800 0.057 0.000 2.843 1164 G HA2 -0.005 3.958 3.960 0.005 0.000 0.205 1164 G HA3 -0.005 3.958 3.960 0.005 0.000 0.205 1164 G C 0.920 175.886 174.900 0.110 0.000 1.160 1164 G CA 0.664 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 -0.816 119.780 120.570 0.042 0.000 4.033 1165 I HA 0.112 4.285 4.170 0.005 0.000 0.296 1165 I C 0.381 176.547 176.117 0.083 0.000 1.210 1165 I CA 0.137 61.497 61.300 0.100 0.000 1.341 1165 I CB 0.850 38.891 38.000 0.069 0.000 1.369 1165 I HN 0.209 nan 8.210 nan 0.000 0.453 1166 C N 1.441 120.720 119.300 -0.035 0.000 2.409 1166 C HA 0.647 5.110 4.460 0.005 0.000 0.297 1166 C C 1.291 176.150 174.990 -0.218 0.000 1.083 1166 C CA -1.173 57.806 59.018 -0.065 0.000 1.515 1166 C CB -0.660 27.069 27.740 -0.020 0.000 1.869 1166 C HN 0.531 nan 8.230 nan 0.000 0.413 1167 G N 3.478 111.975 108.800 -0.505 0.000 2.801 1167 G HA2 0.143 4.106 3.960 0.005 0.000 0.246 1167 G HA3 0.143 4.106 3.960 0.005 0.000 0.246 1167 G C 0.057 174.768 174.900 -0.315 0.000 0.760 1167 G CA 0.349 45.121 45.100 -0.546 0.000 1.934 1167 G HN 0.849 nan 8.290 nan 0.000 0.568 1168 L N -0.428 120.676 121.223 -0.198 0.000 2.334 1168 L HA 0.389 4.733 4.340 0.005 0.000 0.273 1168 L C 0.996 177.817 176.870 -0.081 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 0.128 nan 8.230 nan 0.000 0.431 1169 M N 1.889 121.463 119.600 -0.044 0.000 3.700 1169 M HA 0.058 4.541 4.480 0.005 0.000 0.190 1169 M C 0.039 176.355 176.300 0.026 0.000 1.422 1169 M CA 0.242 55.541 55.300 -0.002 0.000 1.646 1169 M CB -0.905 31.716 32.600 0.034 0.000 1.154 1169 M HN 0.526 nan 8.290 nan 0.000 0.506 1170 T N -0.475 114.085 114.554 0.011 0.000 3.243 1170 T HA 0.225 4.578 4.350 0.005 0.000 0.264 1170 T C 0.304 175.025 174.700 0.034 0.000 1.000 1170 T CA -0.057 62.058 62.100 0.025 0.000 0.901 1170 T CB 0.097 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 2.574 122.514 119.914 0.044 0.000 2.333 1171 V HA 0.362 4.485 4.120 0.005 0.000 0.274 1171 V C 0.383 176.536 176.094 0.098 0.000 1.028 1171 V CA -1.000 61.330 62.300 0.050 0.000 0.851 1171 V CB 0.908 32.731 31.823 0.001 0.000 1.000 1171 V HN 0.507 nan 8.190 nan 0.000 0.456 1172 I N 4.792 125.424 120.570 0.104 0.000 2.671 1172 I HA 0.110 4.283 4.170 0.005 0.000 0.285 1172 I C 1.026 177.243 176.117 0.165 0.000 1.148 1172 I CA 0.381 61.752 61.300 0.118 0.000 1.386 1172 I CB 0.654 38.705 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 4.639 4.320 0.005 0.000 0.305 1173 A C 0.126 177.752 177.584 0.070 0.000 1.308 1173 A CA -0.481 51.658 52.037 0.171 0.000 0.949 1173 A CB -0.124 19.019 19.000 0.239 0.000 1.148 1173 A HN 0.701 nan 8.150 nan 0.000 0.545 1174 K N 3.894 124.253 120.400 -0.067 0.000 2.499 1174 K HA 0.316 4.639 4.320 0.005 0.000 0.215 1174 K C -1.130 175.311 176.600 -0.265 0.000 1.041 1174 K CA -0.117 56.102 56.287 -0.113 0.000 1.031 1174 K CB 0.988 33.452 32.500 -0.059 0.000 1.479 1174 K HN 0.662 nan 8.250 nan 0.000 0.518 1175 L N 3.238 124.357 121.223 -0.172 0.000 2.404 1175 L HA 0.158 4.501 4.340 0.005 0.000 0.277 1175 L C 0.585 177.309 176.870 -0.245 0.000 1.184 1175 L CA -0.029 54.706 54.840 -0.177 0.000 1.013 1175 L CB -0.494 41.551 42.059 -0.024 0.000 1.318 1175 L HN 0.691 nan 8.230 nan 0.000 0.435 1176 N N -0.783 117.702 118.700 -0.359 0.000 2.482 1176 N HA -0.101 4.642 4.740 0.005 0.000 0.317 1176 N C 0.837 176.087 175.510 -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 1.635 120.618 119.070 -0.146 0.000 2.542 1177 H HA 0.363 4.922 4.556 0.005 0.000 0.283 1177 H C 0.124 175.320 175.328 -0.220 0.000 1.059 1177 H CA -0.188 55.772 56.048 -0.146 0.000 1.162 1177 H CB 0.048 29.735 29.762 -0.124 0.000 1.539 1177 H HN 0.183 nan 8.280 nan 0.000 0.543 1178 N N 1.463 120.004 118.700 -0.266 0.000 2.627 1178 N HA -0.220 4.523 4.740 0.005 0.000 0.248 1178 N C -0.244 174.897 175.510 -0.615 0.000 1.173 1178 N CA 0.770 53.559 53.050 -0.436 0.000 0.741 1178 N CB -0.797 37.568 38.487 -0.204 0.000 1.128 1178 N HN 0.624 nan 8.380 nan 0.000 0.562 1179 Q N -0.858 118.657 119.800 -0.475 0.000 2.286 1179 Q HA 0.351 4.694 4.340 0.005 0.000 0.257 1179 Q C 0.537 176.227 176.000 -0.517 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 0.242 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 4.710 4.527 0.005 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 0.648 39.575 39.000 -0.122 0.000 1.604 1180 F HN 0.520 nan 8.300 nan 0.000 0.527 1181 E N -1.086 119.226 120.200 0.187 0.000 8.699 1181 E HA -0.256 4.097 4.350 0.005 0.000 0.471 1181 E C -0.744 175.897 176.600 0.069 0.000 1.169 1181 E CA 0.326 56.780 56.400 0.090 0.000 2.050 1181 E CB -0.861 28.875 29.700 0.060 0.000 1.006 1181 E HN 0.540 nan 8.360 nan 0.000 0.262 1182 C N 1.230 120.554 119.300 0.040 0.000 4.111 1182 C HA 0.201 4.664 4.460 0.005 0.000 0.443 1182 C C -0.983 174.020 174.990 0.023 0.000 1.586 1182 C CA 0.958 59.991 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 0.125 4.449 4.320 0.005 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 1.763 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 3.569 3.960 0.005 0.000 0.224 1184 G HA3 -0.395 3.569 3.960 0.005 0.000 0.224 1184 G C 1.345 176.253 174.900 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 0.426 119.734 119.300 0.013 0.000 2.611 1185 C HA 0.397 4.860 4.460 0.005 0.000 0.282 1185 C C 1.135 176.134 174.990 0.015 0.000 1.321 1185 C CA 1.122 60.149 59.018 0.014 0.000 1.747 1185 C CB -0.606 27.141 27.740 0.011 0.000 2.124 1185 C HN 0.661 nan 8.230 nan 0.000 0.531 1186 D N 1.613 122.021 120.400 0.014 0.000 2.739 1186 D HA -0.118 4.525 4.640 0.005 0.000 0.240 1186 D C -0.706 175.603 176.300 0.014 0.000 1.114 1186 D CA 0.533 54.541 54.000 0.014 0.000 0.695 1186 D CB -1.477 39.331 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 4.952 4.740 0.005 0.000 0.262 1187 N C 0.872 176.393 175.510 0.020 0.000 0.974 1187 N CA -0.096 52.960 53.050 0.009 0.000 0.933 1187 N CB 1.192 39.678 38.487 -0.002 0.000 1.137 1187 N HN 0.147 nan 8.380 nan 0.000 0.498 1188 K N 2.281 122.694 120.400 0.022 0.000 2.477 1188 K HA 0.373 4.696 4.320 0.005 0.000 0.208 1188 K C 0.752 177.379 176.600 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 -0.762 119.809 120.570 0.002 0.000 4.399 1189 I HA 0.044 4.217 4.170 0.005 0.000 0.301 1189 I C -0.062 175.993 176.117 -0.103 0.000 1.198 1189 I CA -0.067 61.218 61.300 -0.026 0.000 1.315 1189 I CB 0.703 38.692 38.000 -0.019 0.000 1.452 1189 I HN -0.092 nan 8.210 nan 0.000 0.457 1190 D N 2.862 123.205 120.400 -0.095 0.000 2.483 1190 D HA 0.459 5.102 4.640 0.005 0.000 0.220 1190 D C -0.610 175.570 176.300 -0.201 0.000 1.173 1190 D CA 0.460 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 2.609 122.937 120.570 -0.404 0.000 2.722 1191 I HA 0.332 4.505 4.170 0.005 0.000 0.295 1191 I C -1.047 174.700 176.117 -0.616 0.000 1.161 1191 I CA -0.965 60.099 61.300 -0.393 0.000 1.032 1191 I CB 1.752 39.501 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 5.058 4.550 0.005 0.000 0.342 1192 Y C -0.307 175.510 175.900 -0.140 0.000 1.029 1192 Y CA -0.679 57.327 58.100 -0.157 0.000 1.080 1192 Y CB 1.869 40.248 38.460 -0.136 0.000 1.284 1192 Y HN 0.389 nan 8.280 nan 0.000 0.485 1193 Q N 3.641 123.461 119.800 0.033 0.000 2.330 1193 Q HA 0.687 5.030 4.340 0.005 0.000 0.269 1193 Q C -1.478 174.380 176.000 -0.237 0.000 1.022 1193 Q CA -0.662 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 -0.611 119.769 120.570 -0.315 0.000 3.206 1194 I HA 0.585 4.758 4.170 0.005 0.000 0.313 1194 I C -1.198 174.697 176.117 -0.370 0.000 1.103 1194 I CA -1.123 59.970 61.300 -0.346 0.000 0.985 1194 I CB 2.416 40.306 38.000 -0.182 0.000 1.240 1194 I HN 0.552 nan 8.210 nan 0.000 0.464 1195 H N 3.682 122.705 119.070 -0.078 0.000 2.708 1195 H HA 0.711 5.270 4.556 0.005 0.000 0.320 1195 H C -0.750 174.559 175.328 -0.033 0.000 0.991 1195 H CA -0.539 55.471 56.048 -0.062 0.000 1.243 1195 H CB 1.496 31.236 29.762 -0.036 0.000 1.446 1195 H HN 0.739 nan 8.280 nan 0.000 0.502 1196 I N 0.087 120.719 120.570 0.103 0.000 3.006 1196 I HA 0.566 4.739 4.170 0.005 0.000 0.306 1196 I C -2.922 173.260 176.117 0.109 0.000 1.250 1196 I CA -2.741 58.602 61.300 0.073 0.000 0.996 1196 I CB 3.325 41.351 38.000 0.044 0.000 1.261 1196 I HN 0.113 nan 8.210 nan 0.000 0.442 1197 P HA -0.046 nan 4.420 nan 0.000 0.267 1197 P C -0.008 177.376 177.300 0.140 0.000 1.209 1197 P CA 0.288 63.440 63.100 0.088 0.000 0.763 1197 P CB 0.487 32.194 31.700 0.012 0.000 0.816 1198 Y N 5.564 125.938 120.300 0.123 0.000 2.102 1198 Y HA -0.334 4.219 4.550 0.005 0.000 0.280 1198 Y C 2.459 178.382 175.900 0.040 0.000 1.178 1198 Y CA 2.610 60.797 58.100 0.146 0.000 1.146 1198 Y CB -1.182 37.255 38.460 -0.037 0.000 0.968 1198 Y HN 0.490 nan 8.280 nan 0.000 0.504 1199 A N 0.246 123.023 122.820 -0.073 0.000 1.986 1199 A HA -0.200 4.123 4.320 0.005 0.000 0.220 1199 A C 2.456 179.877 177.584 -0.272 0.000 1.171 1199 A CA 2.296 54.221 52.037 -0.186 0.000 0.640 1199 A CB -1.524 17.434 19.000 -0.069 0.000 0.811 1199 A HN 0.668 nan 8.150 nan 0.000 0.451 1200 A N -0.112 122.551 122.820 -0.263 0.000 1.841 1200 A HA -0.132 4.191 4.320 0.005 0.000 0.214 1200 A C 2.149 179.405 177.584 -0.546 0.000 1.195 1200 A CA 1.917 53.666 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 4.127 4.320 0.005 0.000 0.209 1201 K C 1.872 178.391 176.600 -0.134 0.000 1.047 1201 K CA 1.898 58.151 56.287 -0.057 0.000 0.927 1201 K CB -0.532 32.081 32.500 0.188 0.000 0.716 1201 K HN 0.518 nan 8.250 nan 0.000 0.454 1202 L N 0.565 121.574 121.223 -0.356 0.000 2.072 1202 L HA -0.188 4.155 4.340 0.005 0.000 0.205 1202 L C 2.638 179.418 176.870 -0.150 0.000 1.079 1202 L CA 0.644 55.302 54.840 -0.303 0.000 0.752 1202 L CB -0.355 41.443 42.059 -0.434 0.000 0.906 1202 L HN 0.208 nan 8.230 nan 0.000 0.436 1203 L N -0.348 120.754 121.223 -0.202 0.000 1.970 1203 L HA -0.258 4.086 4.340 0.005 0.000 0.212 1203 L C 2.276 179.178 176.870 0.054 0.000 1.071 1203 L CA 1.925 56.693 54.840 -0.119 0.000 0.751 1203 L CB -0.825 41.094 42.059 -0.233 0.000 0.889 1203 L HN 0.068 nan 8.230 nan 0.000 0.432 1204 F N -0.174 119.749 119.950 -0.045 0.000 2.015 1204 F HA -0.377 4.153 4.527 0.005 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 -0.669 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 4.059 4.340 0.005 0.000 0.208 1205 Q C 1.942 177.983 176.000 0.067 0.000 0.993 1205 Q CA 2.060 57.922 55.803 0.098 0.000 0.862 1205 Q CB -0.501 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 0.594 120.824 120.200 0.049 0.000 2.085 1206 E HA -0.175 4.178 4.350 0.005 0.000 0.194 1206 E C 2.089 178.717 176.600 0.046 0.000 0.994 1206 E CA 0.829 57.249 56.400 0.033 0.000 0.801 1206 E CB -0.069 29.637 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 4.078 4.340 0.005 0.000 0.212 1207 L C 2.594 179.492 176.870 0.046 0.000 1.071 1207 L CA 1.362 56.243 54.840 0.068 0.000 0.751 1207 L CB -0.402 41.720 42.059 0.104 0.000 0.889 1207 L HN 0.282 nan 8.230 nan 0.000 0.432 1208 M N -0.527 119.101 119.600 0.046 0.000 2.108 1208 M HA -0.253 4.230 4.480 0.005 0.000 0.257 1208 M C 2.303 178.619 176.300 0.027 0.000 1.071 1208 M CA 2.085 57.402 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 4.235 4.320 0.005 0.000 0.219 1209 A C 1.871 179.469 177.584 0.024 0.000 1.159 1209 A CA 1.239 53.293 52.037 0.028 0.000 0.680 1209 A CB -0.627 18.391 19.000 0.029 0.000 0.787 1209 A HN 0.550 nan 8.150 nan 0.000 0.467 1210 M N -1.250 118.365 119.600 0.024 0.000 2.484 1210 M HA 0.135 4.618 4.480 0.005 0.000 0.307 1210 M C 0.813 177.124 176.300 0.018 0.000 1.149 1210 M CA 0.002 55.315 55.300 0.021 0.000 0.972 1210 M CB 0.113 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 1.032 119.742 118.700 0.018 0.000 2.967 1211 N HA -0.176 4.567 4.740 0.005 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 -0.834 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 2.002 122.581 120.570 0.013 0.000 2.696 1212 I HA 0.041 4.214 4.170 0.005 0.000 0.284 1212 I C 1.003 177.119 176.117 -0.002 0.000 1.129 1212 I CA 0.528 61.833 61.300 0.009 0.000 1.410 1212 I CB 0.977 38.987 38.000 0.017 0.000 1.399 1212 I HN 0.183 nan 8.210 nan 0.000 0.579 1213 T N 2.944 117.490 114.554 -0.014 0.000 2.801 1213 T HA 0.414 4.767 4.350 0.005 0.000 0.306 1213 T C -2.116 172.538 174.700 -0.077 0.000 1.020 1213 T CA -1.711 60.366 62.100 -0.038 0.000 0.948 1213 T CB 1.040 69.893 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 -0.398 176.686 177.300 -0.360 0.000 1.832 1214 P CA -0.676 62.239 63.100 -0.309 0.000 1.092 1214 P CB 0.261 31.660 31.700 -0.501 0.000 1.873 1215 R N 3.000 123.382 120.500 -0.198 0.000 2.343 1215 R HA 0.294 4.637 4.340 0.005 0.000 0.326 1215 R C 0.267 176.428 176.300 -0.232 0.000 1.055 1215 R CA -0.294 55.700 56.100 -0.176 0.000 0.961 1215 R CB 0.311 30.674 30.300 0.105 0.000 0.978 1215 R HN 0.475 nan 8.270 nan 0.000 0.443 1216 L N 4.612 125.579 121.223 -0.427 0.000 2.282 1216 L HA 0.436 4.779 4.340 0.005 0.000 0.288 1216 L C -0.514 176.038 176.870 -0.530 0.000 1.033 1216 L CA -0.754 53.878 54.840 -0.347 0.000 0.807 1216 L CB 0.480 42.358 42.059 -0.301 0.000 1.209 1216 L HN 0.400 nan 8.230 nan 0.000 0.423 1217 Y N -0.272 119.936 120.300 -0.152 0.000 2.446 1217 Y HA 0.233 4.787 4.550 0.005 0.000 0.345 1217 Y C 1.118 176.891 175.900 -0.212 0.000 0.984 1217 Y CA -0.874 57.123 58.100 -0.172 0.000 1.058 1217 Y CB 2.176 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 -2.692 111.745 114.554 -0.195 0.000 3.235 1218 T HA 0.190 4.543 4.350 0.005 0.000 0.251 1218 T C -0.786 173.810 174.700 -0.174 0.000 1.060 1218 T CA -0.260 61.673 62.100 -0.278 0.000 0.949 1218 T CB -1.019 67.483 68.868 -0.611 0.000 1.020 1218 T HN 0.576 nan 8.240 nan 0.000 0.564 1219 D N -0.364 119.986 120.400 -0.083 0.000 2.602 1219 D HA 0.315 4.958 4.640 0.005 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 1.192 41.962 40.800 -0.051 0.000 1.317 1219 D HN -0.160 nan 8.370 nan 0.000 0.577 1220 R N 0.884 121.354 120.500 -0.049 0.000 2.200 1220 R HA -0.066 4.277 4.340 0.005 0.000 0.234 1220 R C 0.538 176.802 176.300 -0.060 0.000 1.127 1220 R CA 0.846 56.916 56.100 -0.050 0.000 0.989 1220 R CB -0.433 29.847 30.300 -0.034 0.000 0.869 1220 R HN 0.577 nan 8.270 nan 0.000 0.459 1221 S N 2.067 117.737 115.700 -0.050 0.000 3.829 1221 S HA 0.088 4.561 4.470 0.005 0.000 0.250 1221 S C 0.420 174.975 174.600 -0.074 0.000 1.263 1221 S CA -0.512 57.662 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 1.466 121.893 120.500 -0.122 0.000 2.740 1222 R HA -0.052 4.291 4.340 0.005 0.000 0.263 1222 R C 0.360 176.576 176.300 -0.141 0.000 0.997 1222 R CA 0.302 56.273 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 2.883 123.186 120.400 -0.161 0.000 2.354 1223 D HA -0.171 4.472 4.640 0.005 0.000 0.216 1223 D C 0.540 176.919 176.300 0.131 0.000 0.970 1223 D CA 0.933 54.915 54.000 -0.031 0.000 0.905 1223 D CB -0.077 40.697 40.800 -0.044 0.000 0.903 1223 D HN 0.366 nan 8.370 nan 0.000 0.508 1224 F N 0.000 119.920 119.950 -0.049 0.000 2.286 1224 F HA 0.000 4.530 4.527 0.005 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