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 1y1w_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIGRDGKLA 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 0.000 176.285 176.300 -0.026 0.000 2.045 20 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 20 D CB 0.000 40.795 40.800 -0.009 0.000 0.688 21 E N 0.012 120.186 120.200 -0.043 0.000 2.412 21 E HA 0.036 4.387 4.350 0.001 0.000 0.207 21 E C -0.334 176.219 176.600 -0.078 0.000 1.252 21 E CA 0.243 56.600 56.400 -0.072 0.000 1.004 21 E CB -0.120 29.519 29.700 -0.101 0.000 1.027 21 E HN 0.078 nan 8.360 nan 0.000 0.517 22 S N -0.435 115.241 115.700 -0.041 0.000 2.640 22 S HA 0.425 4.895 4.470 0.001 0.000 0.163 22 S C -0.736 173.859 174.600 -0.008 0.000 0.936 22 S CA -0.180 58.004 58.200 -0.026 0.000 1.081 22 S CB 0.897 64.079 63.200 -0.029 0.000 1.720 22 S HN 0.521 nan 8.310 nan 0.000 0.488 23 A N 2.420 125.239 122.820 -0.002 0.000 2.578 23 A HA 1.041 5.361 4.320 0.001 0.000 0.255 23 A C -2.695 174.892 177.584 0.005 0.000 1.251 23 A CA -1.716 50.324 52.037 0.005 0.000 0.882 23 A CB 0.292 19.297 19.000 0.008 0.000 1.416 23 A HN 0.317 nan 8.150 nan 0.000 0.462 24 P HA 0.466 nan 4.420 nan 0.000 0.293 24 P C -1.011 176.290 177.300 0.002 0.000 1.298 24 P CA 0.095 63.198 63.100 0.006 0.000 0.757 24 P CB 0.465 32.178 31.700 0.022 0.000 1.262 25 I N -0.628 119.941 120.570 -0.002 0.000 2.500 25 I HA 0.218 4.388 4.170 0.001 0.000 0.286 25 I C 0.812 176.946 176.117 0.029 0.000 1.063 25 I CA -0.660 60.644 61.300 0.006 0.000 1.062 25 I CB 1.855 39.832 38.000 -0.038 0.000 1.223 25 I HN 0.287 nan 8.210 nan 0.000 0.435 26 T N 1.897 116.480 114.554 0.049 0.000 2.770 26 T HA 0.577 4.928 4.350 0.001 0.000 0.281 26 T C 1.327 176.076 174.700 0.082 0.000 0.981 26 T CA 0.054 62.190 62.100 0.059 0.000 0.955 26 T CB 1.642 70.550 68.868 0.066 0.000 1.060 26 T HN 0.582 nan 8.240 nan 0.000 0.531 27 A N 0.654 123.528 122.820 0.090 0.000 1.849 27 A HA -0.167 4.153 4.320 0.001 0.000 0.216 27 A C 2.168 179.832 177.584 0.135 0.000 1.225 27 A CA 2.340 54.444 52.037 0.112 0.000 0.653 27 A CB -1.800 17.285 19.000 0.143 0.000 0.844 27 A HN 1.086 nan 8.150 nan 0.000 0.453 28 E N 0.119 120.439 120.200 0.200 0.000 2.312 28 E HA -0.282 4.068 4.350 0.001 0.000 0.209 28 E C 1.480 178.246 176.600 0.277 0.000 1.047 28 E CA 2.034 58.612 56.400 0.296 0.000 0.840 28 E CB -0.376 29.468 29.700 0.240 0.000 0.738 28 E HN 0.628 nan 8.360 nan 0.000 0.478 29 D N -0.795 119.718 120.400 0.188 0.000 2.077 29 D HA -0.164 4.476 4.640 0.001 0.000 0.193 29 D C 1.999 178.423 176.300 0.206 0.000 0.989 29 D CA 2.067 56.178 54.000 0.184 0.000 0.831 29 D CB -0.550 40.330 40.800 0.132 0.000 0.979 29 D HN 0.347 nan 8.370 nan 0.000 0.449 30 S N 0.598 116.385 115.700 0.146 0.000 2.429 30 S HA -0.289 4.181 4.470 0.001 0.000 0.251 30 S C 1.964 176.620 174.600 0.094 0.000 1.104 30 S CA 1.654 59.924 58.200 0.117 0.000 1.130 30 S CB -1.546 61.622 63.200 -0.054 0.000 1.000 30 S HN 0.467 nan 8.310 nan 0.000 0.449 31 W N 2.164 123.566 121.300 0.169 0.000 2.318 31 W HA -0.128 4.532 4.660 0.001 0.000 0.313 31 W C 3.084 179.737 176.519 0.223 0.000 1.221 31 W CA 0.808 58.249 57.345 0.159 0.000 1.266 31 W CB -0.734 28.809 29.460 0.139 0.000 1.150 31 W HN 0.469 nan 8.180 nan 0.000 0.496 32 A N 0.238 123.329 122.820 0.452 0.000 1.884 32 A HA -0.288 4.033 4.320 0.001 0.000 0.219 32 A C 1.950 179.752 177.584 0.363 0.000 1.197 32 A CA 2.789 55.045 52.037 0.364 0.000 0.637 32 A CB -1.346 17.826 19.000 0.287 0.000 0.827 32 A HN 0.124 nan 8.150 nan 0.000 0.450 33 V N 0.264 120.387 119.914 0.350 0.000 2.219 33 V HA -0.343 3.777 4.120 0.001 0.000 0.248 33 V C 2.428 178.745 176.094 0.370 0.000 1.053 33 V CA 2.268 64.795 62.300 0.379 0.000 1.009 33 V CB -0.864 31.223 31.823 0.440 0.000 0.636 33 V HN 0.613 nan 8.190 nan 0.000 0.445 34 I N 0.047 120.786 120.570 0.282 0.000 2.113 34 I HA -0.358 3.813 4.170 0.001 0.000 0.242 34 I C 2.670 178.958 176.117 0.286 0.000 1.057 34 I CA 2.040 63.447 61.300 0.179 0.000 1.314 34 I CB -0.654 37.470 38.000 0.207 0.000 1.022 34 I HN 0.307 nan 8.210 nan 0.000 0.408 35 S N 0.498 116.499 115.700 0.502 0.000 2.378 35 S HA -0.327 4.144 4.470 0.001 0.000 0.229 35 S C 2.209 177.084 174.600 0.459 0.000 1.052 35 S CA 1.826 60.424 58.200 0.664 0.000 1.084 35 S CB -0.555 62.954 63.200 0.515 0.000 0.950 35 S HN 0.619 nan 8.310 nan 0.000 0.440 36 A N 0.946 123.992 122.820 0.378 0.000 1.940 36 A HA -0.127 4.193 4.320 0.001 0.000 0.219 36 A C 1.847 179.615 177.584 0.306 0.000 1.176 36 A CA 1.629 53.877 52.037 0.351 0.000 0.631 36 A CB -0.856 18.378 19.000 0.389 0.000 0.814 36 A HN 0.477 nan 8.150 nan 0.000 0.446 37 F N 0.238 120.133 119.950 -0.092 0.000 2.011 37 F HA -0.207 4.321 4.527 0.001 0.000 0.296 37 F C 1.960 177.470 175.800 -0.484 0.000 1.144 37 F CA 1.576 59.159 58.000 -0.695 0.000 1.185 37 F CB -1.238 37.104 39.000 -1.098 0.000 0.961 37 F HN 0.265 nan 8.300 nan 0.000 0.485 38 F N 0.362 120.185 119.950 -0.212 0.000 2.333 38 F HA -0.125 4.403 4.527 0.001 0.000 0.300 38 F C 2.484 178.257 175.800 -0.045 0.000 1.083 38 F CA 1.016 58.875 58.000 -0.236 0.000 1.395 38 F CB -0.594 38.403 39.000 -0.005 0.000 1.056 38 F HN -0.074 nan 8.300 nan 0.000 0.529 39 R N 0.363 120.993 120.500 0.216 0.000 2.094 39 R HA -0.243 4.098 4.340 0.001 0.000 0.239 39 R C 2.187 178.563 176.300 0.126 0.000 1.137 39 R CA 2.122 58.334 56.100 0.186 0.000 0.943 39 R CB -0.555 29.868 30.300 0.204 0.000 0.850 39 R HN 0.393 nan 8.270 nan 0.000 0.433 40 E N 0.365 120.628 120.200 0.105 0.000 2.086 40 E HA -0.099 4.252 4.350 0.001 0.000 0.190 40 E C 1.592 178.208 176.600 0.026 0.000 0.975 40 E CA 0.567 57.026 56.400 0.097 0.000 0.813 40 E CB 0.328 30.134 29.700 0.176 0.000 0.768 40 E HN 0.114 nan 8.360 nan 0.000 0.457 41 K N 0.214 120.550 120.400 -0.107 0.000 1.975 41 K HA 0.088 4.409 4.320 0.001 0.000 0.210 41 K C 0.954 177.494 176.600 -0.100 0.000 1.041 41 K CA 1.147 57.315 56.287 -0.198 0.000 0.942 41 K CB -0.540 31.571 32.500 -0.648 0.000 0.729 41 K HN 0.273 nan 8.250 nan 0.000 0.439 42 G N 0.367 109.136 108.800 -0.053 0.000 2.712 42 G HA2 -0.174 3.787 3.960 0.001 0.000 0.686 42 G HA3 -0.174 3.787 3.960 0.001 0.000 0.686 42 G C 0.322 175.243 174.900 0.036 0.000 1.181 42 G CA -0.403 44.724 45.100 0.045 0.000 0.762 42 G HN 0.157 nan 8.290 nan 0.000 0.641 43 L N 0.396 121.641 121.223 0.036 0.000 2.549 43 L HA 0.018 4.359 4.340 0.001 0.000 0.229 43 L C 2.353 179.215 176.870 -0.014 0.000 1.158 43 L CA 1.377 56.216 54.840 -0.001 0.000 0.842 43 L CB -0.518 41.503 42.059 -0.063 0.000 0.952 43 L HN 0.755 nan 8.230 nan 0.000 0.452 44 V N -5.154 114.758 119.914 -0.004 0.000 3.427 44 V HA 0.135 4.255 4.120 0.001 0.000 0.305 44 V C 2.045 178.137 176.094 -0.004 0.000 1.412 44 V CA 0.267 62.566 62.300 -0.003 0.000 1.086 44 V CB -0.146 31.688 31.823 0.017 0.000 0.964 44 V HN 0.394 nan 8.190 nan 0.000 0.439 45 S N 3.062 118.749 115.700 -0.021 0.000 2.355 45 S HA -0.512 3.958 4.470 0.001 0.000 0.318 45 S C 1.917 176.518 174.600 0.001 0.000 1.057 45 S CA 2.822 61.009 58.200 -0.021 0.000 1.684 45 S CB -1.418 61.741 63.200 -0.069 0.000 1.408 45 S HN 0.888 nan 8.310 nan 0.000 0.465 46 Q N 0.717 120.505 119.800 -0.020 0.000 2.078 46 Q HA -0.382 3.958 4.340 0.001 0.000 0.222 46 Q C 2.151 178.170 176.000 0.033 0.000 1.073 46 Q CA 1.977 57.775 55.803 -0.008 0.000 0.926 46 Q CB -1.078 27.640 28.738 -0.033 0.000 1.054 46 Q HN 0.606 nan 8.270 nan 0.000 0.450 47 Q N 0.625 120.442 119.800 0.029 0.000 2.182 47 Q HA -0.189 4.151 4.340 0.001 0.000 0.213 47 Q C 2.233 178.288 176.000 0.092 0.000 1.000 47 Q CA 1.951 57.787 55.803 0.056 0.000 0.889 47 Q CB -0.471 28.288 28.738 0.035 0.000 0.932 47 Q HN 0.538 nan 8.270 nan 0.000 0.415 48 L N 0.409 121.675 121.223 0.071 0.000 1.932 48 L HA -0.182 4.158 4.340 0.001 0.000 0.213 48 L C 2.030 178.980 176.870 0.134 0.000 1.108 48 L CA 1.043 55.941 54.840 0.096 0.000 0.778 48 L CB -0.947 41.147 42.059 0.059 0.000 0.891 48 L HN 0.127 nan 8.230 nan 0.000 0.436 49 D N 0.005 120.459 120.400 0.090 0.000 2.558 49 D HA -0.323 4.318 4.640 0.001 0.000 0.190 49 D C 2.178 178.535 176.300 0.094 0.000 1.047 49 D CA 2.243 56.290 54.000 0.078 0.000 0.880 49 D CB -0.461 40.384 40.800 0.075 0.000 0.926 49 D HN 0.295 nan 8.370 nan 0.000 0.465 50 S N -0.877 114.895 115.700 0.120 0.000 2.383 50 S HA -0.190 4.281 4.470 0.001 0.000 0.229 50 S C 1.752 176.490 174.600 0.230 0.000 1.030 50 S CA 0.880 59.168 58.200 0.147 0.000 1.002 50 S CB -0.364 62.918 63.200 0.137 0.000 0.829 50 S HN 0.250 nan 8.310 nan 0.000 0.467 51 F N 3.050 123.057 119.950 0.096 0.000 2.113 51 F HA 0.013 4.541 4.527 0.001 0.000 0.297 51 F C 2.084 177.971 175.800 0.146 0.000 1.103 51 F CA 1.528 59.613 58.000 0.142 0.000 1.248 51 F CB -0.880 38.175 39.000 0.091 0.000 0.999 51 F HN 0.228 nan 8.300 nan 0.000 0.475 52 N N 0.520 119.237 118.700 0.029 0.000 2.018 52 N HA -0.278 4.463 4.740 0.001 0.000 0.196 52 N C 1.878 177.281 175.510 -0.179 0.000 1.043 52 N CA 1.765 54.743 53.050 -0.120 0.000 0.856 52 N CB -1.023 37.434 38.487 -0.049 0.000 1.042 52 N HN 0.332 nan 8.380 nan 0.000 0.423 53 Q N 0.304 120.022 119.800 -0.136 0.000 2.248 53 Q HA -0.120 4.221 4.340 0.001 0.000 0.208 53 Q C 1.780 177.708 176.000 -0.119 0.000 0.984 53 Q CA 1.196 56.865 55.803 -0.224 0.000 0.875 53 Q CB -0.493 28.170 28.738 -0.124 0.000 0.910 53 Q HN 0.453 nan 8.270 nan 0.000 0.433 54 F N -1.237 118.617 119.950 -0.159 0.000 2.206 54 F HA -0.048 4.479 4.527 0.001 0.000 0.298 54 F C 1.545 177.242 175.800 -0.172 0.000 1.090 54 F CA 0.984 58.915 58.000 -0.114 0.000 1.323 54 F CB -0.198 38.759 39.000 -0.071 0.000 1.028 54 F HN -0.039 nan 8.300 nan 0.000 0.492 55 V N 0.838 120.526 119.914 -0.376 0.000 2.231 55 V HA -0.240 3.881 4.120 0.001 0.000 0.240 55 V C 2.196 178.116 176.094 -0.291 0.000 1.039 55 V CA 2.113 64.150 62.300 -0.439 0.000 0.998 55 V CB -0.750 30.817 31.823 -0.427 0.000 0.639 55 V HN 0.231 nan 8.190 nan 0.000 0.451 56 D N -0.746 119.547 120.400 -0.177 0.000 2.205 56 D HA -0.214 4.426 4.640 0.001 0.000 0.190 56 D C 2.005 178.430 176.300 0.207 0.000 1.002 56 D CA 2.291 56.303 54.000 0.020 0.000 0.848 56 D CB -0.255 40.582 40.800 0.062 0.000 0.975 56 D HN 0.457 nan 8.370 nan 0.000 0.449 57 Y N 0.798 121.008 120.300 -0.150 0.000 2.304 57 Y HA 0.031 4.581 4.550 0.001 0.000 0.265 57 Y C 2.860 178.656 175.900 -0.174 0.000 1.074 57 Y CA 0.447 58.470 58.100 -0.128 0.000 1.102 57 Y CB -1.367 37.050 38.460 -0.072 0.000 1.037 57 Y HN -0.094 nan 8.280 nan 0.000 0.484 58 T N 1.933 116.502 114.554 0.025 0.000 2.731 58 T HA -0.296 4.054 4.350 0.001 0.000 0.263 58 T C 2.006 176.558 174.700 -0.246 0.000 1.033 58 T CA 2.147 64.192 62.100 -0.092 0.000 1.160 58 T CB -0.886 67.941 68.868 -0.068 0.000 0.849 58 T HN 0.141 nan 8.240 nan 0.000 0.469 59 L N 0.695 121.637 121.223 -0.468 0.000 2.042 59 L HA -0.119 4.221 4.340 0.001 0.000 0.210 59 L C 2.596 179.352 176.870 -0.191 0.000 1.076 59 L CA 1.905 56.495 54.840 -0.416 0.000 0.749 59 L CB -0.783 41.000 42.059 -0.459 0.000 0.893 59 L HN 0.199 nan 8.230 nan 0.000 0.432 60 Q N -0.203 119.503 119.800 -0.157 0.000 1.993 60 Q HA -0.228 4.112 4.340 0.001 0.000 0.202 60 Q C 1.813 177.750 176.000 -0.105 0.000 0.984 60 Q CA 2.293 58.025 55.803 -0.120 0.000 0.837 60 Q CB -0.411 28.266 28.738 -0.102 0.000 0.902 60 Q HN 0.532 nan 8.270 nan 0.000 0.423 61 D N -0.432 119.920 120.400 -0.080 0.000 2.239 61 D HA -0.179 4.461 4.640 0.001 0.000 0.202 61 D C 1.517 177.779 176.300 -0.063 0.000 0.993 61 D CA 1.279 55.246 54.000 -0.055 0.000 0.874 61 D CB -0.055 40.730 40.800 -0.025 0.000 0.922 61 D HN 0.378 nan 8.370 nan 0.000 0.464 62 I N -0.444 120.065 120.570 -0.101 0.000 2.339 62 I HA -0.123 4.048 4.170 0.001 0.000 0.245 62 I C 1.985 178.021 176.117 -0.135 0.000 1.096 62 I CA 0.258 61.485 61.300 -0.123 0.000 1.408 62 I CB -0.023 37.867 38.000 -0.183 0.000 1.092 62 I HN -0.035 nan 8.210 nan 0.000 0.423 63 I N 0.564 120.981 120.570 -0.256 0.000 2.530 63 I HA -0.210 3.961 4.170 0.001 0.000 0.257 63 I C 0.730 176.852 176.117 0.008 0.000 1.179 63 I CA 1.007 62.150 61.300 -0.261 0.000 1.440 63 I CB -0.222 37.552 38.000 -0.377 0.000 1.087 63 I HN 0.233 nan 8.210 nan 0.000 0.440 64 C N 1.903 121.193 119.300 -0.017 0.000 2.250 64 C HA 0.436 4.897 4.460 0.001 0.000 0.319 64 C C 0.960 175.946 174.990 -0.007 0.000 1.124 64 C CA -0.192 58.834 59.018 0.013 0.000 1.527 64 C CB -1.227 26.516 27.740 0.006 0.000 2.001 64 C HN 0.651 nan 8.230 nan 0.000 0.435 65 E N 1.411 121.604 120.200 -0.011 0.000 3.301 65 E HA 0.011 4.361 4.350 0.001 0.000 0.279 65 E C 0.009 176.578 176.600 -0.051 0.000 1.174 65 E CA -0.100 56.277 56.400 -0.039 0.000 1.918 65 E CB -0.335 29.329 29.700 -0.059 0.000 2.084 65 E HN 0.397 nan 8.360 nan 0.000 0.951 66 D N 2.236 122.582 120.400 -0.090 0.000 2.424 66 D HA 0.081 4.722 4.640 0.001 0.000 0.220 66 D C 1.273 177.501 176.300 -0.120 0.000 1.150 66 D CA 0.650 54.587 54.000 -0.105 0.000 0.831 66 D CB 0.722 41.435 40.800 -0.145 0.000 0.981 66 D HN 0.234 nan 8.370 nan 0.000 0.500 67 S N 1.123 116.774 115.700 -0.081 0.000 2.426 67 S HA -0.176 4.294 4.470 0.001 0.000 0.220 67 S C 1.144 175.841 174.600 0.162 0.000 1.040 67 S CA 0.888 59.061 58.200 -0.044 0.000 1.094 67 S CB -1.733 61.524 63.200 0.095 0.000 1.072 67 S HN 0.283 nan 8.310 nan 0.000 0.415 68 T N 3.346 118.038 114.554 0.229 0.000 2.897 68 T HA 0.223 4.573 4.350 0.001 0.000 0.304 68 T C 0.006 174.796 174.700 0.151 0.000 1.051 68 T CA 0.598 62.820 62.100 0.203 0.000 1.132 68 T CB -0.290 68.648 68.868 0.116 0.000 1.066 68 T HN 0.334 nan 8.240 nan 0.000 0.518 69 L N 1.641 122.964 121.223 0.167 0.000 2.230 69 L HA 0.664 5.004 4.340 0.001 0.000 0.255 69 L C 0.206 177.187 176.870 0.185 0.000 1.039 69 L CA -1.306 53.658 54.840 0.207 0.000 0.846 69 L CB 1.434 43.684 42.059 0.317 0.000 1.419 69 L HN 0.526 nan 8.230 nan 0.000 0.435 91 S N 3.471 119.041 115.700 -0.216 0.000 2.634 91 S HA 0.879 5.349 4.470 0.001 0.000 0.296 91 S C -1.226 173.173 174.600 -0.336 0.000 1.104 91 S CA -0.769 57.352 58.200 -0.133 0.000 0.920 91 S CB 2.270 65.457 63.200 -0.020 0.000 1.111 91 S HN 0.343 nan 8.310 nan 0.000 0.493 92 F N 0.218 120.206 119.950 0.063 0.000 2.507 92 F HA 0.762 5.289 4.527 0.001 0.000 0.325 92 F C 0.913 176.740 175.800 0.045 0.000 1.116 92 F CA -0.368 57.675 58.000 0.071 0.000 0.930 92 F CB 2.157 41.227 39.000 0.116 0.000 1.146 92 F HN 0.998 nan 8.300 nan 0.000 0.447 93 G N 1.538 110.457 108.800 0.199 0.000 3.039 93 G HA2 0.307 4.267 3.960 0.001 0.000 0.159 93 G HA3 0.307 4.267 3.960 0.001 0.000 0.159 93 G C -0.637 174.317 174.900 0.091 0.000 1.284 93 G CA -0.834 44.336 45.100 0.116 0.000 0.996 93 G HN 0.542 nan 8.290 nan 0.000 0.592 94 K N -0.695 119.729 120.400 0.041 0.000 2.457 94 K HA 0.118 4.438 4.320 0.001 0.000 0.269 94 K C -0.775 175.821 176.600 -0.007 0.000 0.969 94 K CA 0.265 56.526 56.287 -0.044 0.000 0.921 94 K CB 0.196 32.612 32.500 -0.140 0.000 0.940 94 K HN 0.323 nan 8.250 nan 0.000 0.517 95 I N 2.326 122.827 120.570 -0.115 0.000 2.533 95 I HA 0.242 4.412 4.170 0.001 0.000 0.290 95 I C -1.610 174.441 176.117 -0.111 0.000 1.056 95 I CA -0.960 60.336 61.300 -0.006 0.000 1.057 95 I CB 1.007 38.994 38.000 -0.021 0.000 1.240 95 I HN 0.532 nan 8.210 nan 0.000 0.423 96 Y N 5.911 126.259 120.300 0.080 0.000 2.330 96 Y HA 0.504 5.055 4.550 0.001 0.000 0.336 96 Y C -0.139 175.750 175.900 -0.018 0.000 1.036 96 Y CA -0.747 57.390 58.100 0.062 0.000 1.125 96 Y CB 1.825 40.382 38.460 0.161 0.000 1.194 96 Y HN 0.165 nan 8.280 nan 0.000 0.469 97 V N 3.683 123.630 119.914 0.055 0.000 2.293 97 V HA 0.264 4.384 4.120 0.001 0.000 0.275 97 V C -0.053 176.000 176.094 -0.068 0.000 1.021 97 V CA -0.878 61.391 62.300 -0.051 0.000 0.815 97 V CB 0.994 32.761 31.823 -0.093 0.000 1.025 97 V HN 0.896 nan 8.190 nan 0.000 0.448 98 T N 2.535 117.012 114.554 -0.129 0.000 2.889 98 T HA 0.463 4.813 4.350 0.001 0.000 0.291 98 T C -0.015 174.589 174.700 -0.161 0.000 0.995 98 T CA -0.790 61.227 62.100 -0.138 0.000 1.092 98 T CB 0.931 69.679 68.868 -0.201 0.000 0.954 98 T HN 0.511 nan 8.240 nan 0.000 0.506 99 K N 2.969 123.260 120.400 -0.182 0.000 2.319 99 K HA 0.204 4.525 4.320 0.001 0.000 0.265 99 K C -2.341 174.166 176.600 -0.156 0.000 1.000 99 K CA -1.364 54.764 56.287 -0.264 0.000 0.943 99 K CB -0.191 32.019 32.500 -0.483 0.000 0.950 99 K HN 0.445 nan 8.250 nan 0.000 0.485 100 P HA -0.177 nan 4.420 nan 0.000 0.267 100 P C -0.626 176.674 177.300 -0.001 0.000 1.158 100 P CA 1.255 64.287 63.100 -0.112 0.000 0.756 100 P CB 0.414 31.997 31.700 -0.195 0.000 0.766 101 M N 0.640 120.226 119.600 -0.023 0.000 2.924 101 M HA 0.496 4.977 4.480 0.001 0.000 0.271 101 M C -1.393 174.924 176.300 0.029 0.000 1.280 101 M CA -0.988 54.316 55.300 0.007 0.000 0.813 101 M CB 2.252 34.847 32.600 -0.010 0.000 1.658 101 M HN -0.170 nan 8.290 nan 0.000 0.467 102 V N 1.431 121.375 119.914 0.051 0.000 2.610 102 V HA 0.320 4.440 4.120 0.001 0.000 0.298 102 V C -1.357 174.766 176.094 0.048 0.000 1.067 102 V CA -0.689 61.648 62.300 0.063 0.000 0.894 102 V CB 1.812 33.697 31.823 0.105 0.000 1.015 102 V HN 0.855 nan 8.190 nan 0.000 0.432 103 N N 4.101 122.815 118.700 0.024 0.000 2.462 103 N HA 0.443 5.183 4.740 0.001 0.000 0.242 103 N C -0.359 175.157 175.510 0.011 0.000 1.010 103 N CA -0.396 52.658 53.050 0.005 0.000 0.939 103 N CB 0.821 39.292 38.487 -0.028 0.000 1.127 103 N HN 0.859 nan 8.380 nan 0.000 0.509 104 E N 1.010 121.219 120.200 0.014 0.000 2.277 104 E HA 0.481 4.832 4.350 0.001 0.000 0.266 104 E C -0.731 175.873 176.600 0.007 0.000 0.901 104 E CA -1.127 55.278 56.400 0.009 0.000 0.782 104 E CB 1.066 30.772 29.700 0.010 0.000 1.228 104 E HN 0.469 nan 8.360 nan 0.000 0.424 105 S N 0.899 116.603 115.700 0.005 0.000 2.614 105 S HA 0.100 4.571 4.470 0.001 0.000 0.265 105 S C 0.322 174.926 174.600 0.007 0.000 1.303 105 S CA -0.375 57.829 58.200 0.006 0.000 1.000 105 S CB 0.359 63.563 63.200 0.007 0.000 0.935 105 S HN 0.745 nan 8.310 nan 0.000 0.551 106 D N 0.012 120.417 120.400 0.008 0.000 2.811 106 D HA -0.109 4.532 4.640 0.001 0.000 0.231 106 D C 0.254 176.558 176.300 0.007 0.000 1.157 106 D CA 1.758 55.762 54.000 0.008 0.000 0.716 106 D CB -1.385 39.420 40.800 0.009 0.000 1.077 106 D HN 1.053 nan 8.370 nan 0.000 0.428 107 G N -2.664 106.141 108.800 0.008 0.000 2.495 107 G HA2 0.482 4.443 3.960 0.001 0.000 0.294 107 G HA3 0.482 4.443 3.960 0.001 0.000 0.294 107 G C 0.236 175.146 174.900 0.017 0.000 1.397 107 G CA -0.118 44.988 45.100 0.011 0.000 0.790 107 G HN 0.067 nan 8.290 nan 0.000 0.486 108 V N -0.567 119.363 119.914 0.027 0.000 5.164 108 V HA 0.547 4.668 4.120 0.001 0.000 0.266 108 V C 0.904 177.024 176.094 0.043 0.000 1.222 108 V CA 0.392 62.712 62.300 0.035 0.000 0.667 108 V CB 0.410 32.263 31.823 0.050 0.000 1.200 108 V HN 0.775 nan 8.190 nan 0.000 0.347 109 T N -0.093 114.498 114.554 0.062 0.000 3.135 109 T HA 0.293 4.643 4.350 0.001 0.000 0.357 109 T C -0.731 174.035 174.700 0.111 0.000 1.112 109 T CA -0.279 61.861 62.100 0.066 0.000 1.290 109 T CB -0.174 68.712 68.868 0.030 0.000 1.018 109 T HN 0.655 nan 8.240 nan 0.000 0.527 110 H N 2.441 121.530 119.070 0.031 0.000 2.871 110 H HA 0.500 5.057 4.556 0.001 0.000 0.355 110 H C 0.418 175.787 175.328 0.068 0.000 1.092 110 H CA 0.101 56.178 56.048 0.047 0.000 1.420 110 H CB 0.584 30.371 29.762 0.042 0.000 1.400 110 H HN 0.701 nan 8.280 nan 0.000 0.604 111 A N 5.638 128.184 122.820 -0.457 0.000 2.396 111 A HA 0.337 4.658 4.320 0.001 0.000 0.279 111 A C -0.508 176.876 177.584 -0.333 0.000 1.165 111 A CA -0.529 51.357 52.037 -0.252 0.000 0.824 111 A CB -0.420 18.514 19.000 -0.111 0.000 1.100 111 A HN 0.630 nan 8.150 nan 0.000 0.516 112 L N 3.244 124.406 121.223 -0.102 0.000 2.399 112 L HA 0.680 5.020 4.340 0.001 0.000 0.266 112 L C -0.890 175.903 176.870 -0.128 0.000 1.114 112 L CA 0.032 54.882 54.840 0.017 0.000 0.804 112 L CB 0.551 42.666 42.059 0.093 0.000 1.146 112 L HN 0.626 nan 8.230 nan 0.000 0.451 113 Y N 3.346 123.584 120.300 -0.103 0.000 2.634 113 Y HA 0.497 5.048 4.550 0.001 0.000 0.340 113 Y C -1.837 174.029 175.900 -0.057 0.000 1.058 113 Y CA -1.528 56.488 58.100 -0.139 0.000 1.081 113 Y CB 1.205 39.533 38.460 -0.220 0.000 1.295 113 Y HN 0.505 nan 8.280 nan 0.000 0.487 114 P HA -0.231 nan 4.420 nan 0.000 0.202 114 P C 1.098 178.334 177.300 -0.106 0.000 1.171 114 P CA 1.786 64.646 63.100 -0.400 0.000 0.925 114 P CB 0.282 31.695 31.700 -0.478 0.000 0.760 115 Q N 0.305 120.077 119.800 -0.046 0.000 2.366 115 Q HA -0.236 4.104 4.340 0.001 0.000 0.214 115 Q C 2.152 178.171 176.000 0.032 0.000 0.994 115 Q CA 2.002 57.806 55.803 0.002 0.000 0.909 115 Q CB -0.874 27.863 28.738 -0.002 0.000 0.918 115 Q HN 0.445 nan 8.270 nan 0.000 0.436 116 E N -1.781 118.451 120.200 0.054 0.000 2.086 116 E HA -0.039 4.311 4.350 0.001 0.000 0.190 116 E C 1.752 178.403 176.600 0.086 0.000 0.975 116 E CA 0.650 57.095 56.400 0.075 0.000 0.813 116 E CB -0.181 29.583 29.700 0.106 0.000 0.768 116 E HN 0.440 nan 8.360 nan 0.000 0.457 117 A N 1.613 124.486 122.820 0.088 0.000 1.940 117 A HA -0.195 4.125 4.320 0.001 0.000 0.219 117 A C 2.104 179.738 177.584 0.084 0.000 1.176 117 A CA 1.313 53.405 52.037 0.092 0.000 0.631 117 A CB -0.484 18.587 19.000 0.119 0.000 0.814 117 A HN 0.163 nan 8.150 nan 0.000 0.446 118 R N -0.555 119.988 120.500 0.072 0.000 2.096 118 R HA -0.060 4.281 4.340 0.001 0.000 0.235 118 R C 1.976 178.347 176.300 0.118 0.000 1.127 118 R CA 1.419 57.570 56.100 0.086 0.000 0.968 118 R CB -0.504 29.839 30.300 0.071 0.000 0.861 118 R HN 0.535 nan 8.270 nan 0.000 0.440 119 L N 0.066 121.362 121.223 0.122 0.000 2.068 119 L HA -0.059 4.282 4.340 0.001 0.000 0.204 119 L C 1.924 178.960 176.870 0.276 0.000 1.076 119 L CA 1.141 56.078 54.840 0.162 0.000 0.753 119 L CB -0.288 41.846 42.059 0.124 0.000 0.910 119 L HN 0.089 nan 8.230 nan 0.000 0.439 120 R N 0.587 121.203 120.500 0.194 0.000 2.346 120 R HA 0.080 4.420 4.340 0.001 0.000 0.225 120 R C -0.209 176.044 176.300 -0.078 0.000 0.987 120 R CA -0.072 56.102 56.100 0.122 0.000 1.106 120 R CB -0.512 29.809 30.300 0.034 0.000 1.090 120 R HN 0.406 nan 8.270 nan 0.000 0.502 121 N N 1.270 120.020 118.700 0.083 0.000 2.705 121 N HA -0.209 4.531 4.740 0.001 0.000 0.255 121 N C -0.348 175.134 175.510 -0.047 0.000 1.008 121 N CA -0.123 52.946 53.050 0.031 0.000 0.742 121 N CB -0.632 37.880 38.487 0.041 0.000 0.906 121 N HN 0.253 nan 8.380 nan 0.000 0.541 122 L N -0.729 120.499 121.223 0.008 0.000 2.926 122 L HA 0.508 4.848 4.340 0.001 0.000 0.183 122 L C 0.804 177.712 176.870 0.064 0.000 1.766 122 L CA -0.373 54.479 54.840 0.019 0.000 2.062 122 L CB 0.614 42.702 42.059 0.048 0.000 2.755 122 L HN -0.013 nan 8.230 nan 0.000 0.584 123 T N -0.737 113.872 114.554 0.092 0.000 3.187 123 T HA 0.143 4.494 4.350 0.001 0.000 0.328 123 T C -0.960 173.833 174.700 0.156 0.000 0.951 123 T CA -0.328 61.843 62.100 0.118 0.000 1.049 123 T CB 0.188 69.107 68.868 0.085 0.000 1.015 123 T HN 0.240 nan 8.240 nan 0.000 0.461 124 Y N 4.610 124.931 120.300 0.035 0.000 2.790 124 Y HA 0.280 4.830 4.550 0.001 0.000 0.348 124 Y C 1.056 176.965 175.900 0.015 0.000 1.183 124 Y CA -0.383 57.724 58.100 0.011 0.000 2.002 124 Y CB -0.823 37.621 38.460 -0.027 0.000 2.086 124 Y HN 0.648 nan 8.280 nan 0.000 0.412 125 S N 0.586 116.252 115.700 -0.058 0.000 2.618 125 S HA 0.899 5.369 4.470 0.001 0.000 0.284 125 S C -0.120 174.390 174.600 -0.149 0.000 1.102 125 S CA -0.113 58.044 58.200 -0.072 0.000 0.984 125 S CB 1.244 64.451 63.200 0.013 0.000 1.280 125 S HN 0.498 nan 8.310 nan 0.000 0.525 126 S N -1.483 114.165 115.700 -0.088 0.000 2.567 126 S HA 0.665 5.136 4.470 0.001 0.000 0.270 126 S C -0.206 174.341 174.600 -0.088 0.000 1.152 126 S CA -0.673 57.460 58.200 -0.110 0.000 0.835 126 S CB 0.497 63.609 63.200 -0.148 0.000 1.115 126 S HN 1.355 nan 8.310 nan 0.000 0.459 127 G N 0.159 108.879 108.800 -0.134 0.000 2.442 127 G HA2 0.522 4.483 3.960 0.001 0.000 0.249 127 G HA3 0.522 4.483 3.960 0.001 0.000 0.249 127 G C -1.200 173.529 174.900 -0.285 0.000 1.263 127 G CA -0.388 44.606 45.100 -0.178 0.000 0.846 127 G HN 0.552 nan 8.290 nan 0.000 0.555 128 L N 2.282 123.376 121.223 -0.214 0.000 2.318 128 L HA 0.452 4.792 4.340 0.001 0.000 0.277 128 L C -0.553 176.404 176.870 0.145 0.000 1.008 128 L CA -0.469 54.303 54.840 -0.113 0.000 0.846 128 L CB 0.577 42.559 42.059 -0.129 0.000 1.220 128 L HN 0.449 nan 8.230 nan 0.000 0.423 129 F N 3.338 123.368 119.950 0.133 0.000 2.458 129 F HA 0.706 5.233 4.527 0.001 0.000 0.336 129 F C -0.042 175.893 175.800 0.225 0.000 1.114 129 F CA -1.213 56.890 58.000 0.170 0.000 0.987 129 F CB 2.005 41.090 39.000 0.142 0.000 1.130 129 F HN 0.003 nan 8.300 nan 0.000 0.458 130 V N 2.262 122.399 119.914 0.372 0.000 2.709 130 V HA 0.164 4.285 4.120 0.001 0.000 0.308 130 V C -0.692 175.551 176.094 0.248 0.000 1.062 130 V CA -1.102 61.382 62.300 0.306 0.000 0.901 130 V CB 2.190 34.163 31.823 0.251 0.000 1.003 130 V HN 0.572 nan 8.190 nan 0.000 0.425 131 D N 3.518 124.063 120.400 0.242 0.000 2.367 131 D HA 0.181 4.822 4.640 0.001 0.000 0.255 131 D C 0.071 176.415 176.300 0.073 0.000 1.300 131 D CA 0.290 54.377 54.000 0.146 0.000 0.959 131 D CB 1.340 42.239 40.800 0.165 0.000 1.064 131 D HN 0.231 nan 8.370 nan 0.000 0.509 132 V N 2.974 122.892 119.914 0.006 0.000 2.881 132 V HA 0.153 4.274 4.120 0.001 0.000 0.303 132 V C 0.689 176.706 176.094 -0.129 0.000 1.070 132 V CA -0.229 61.981 62.300 -0.150 0.000 1.074 132 V CB 1.113 32.840 31.823 -0.161 0.000 1.012 132 V HN 0.268 nan 8.190 nan 0.000 0.482 133 K N 3.990 124.278 120.400 -0.187 0.000 2.463 133 K HA 0.474 4.794 4.320 0.001 0.000 0.255 133 K C -0.602 175.932 176.600 -0.110 0.000 0.942 133 K CA -0.823 55.397 56.287 -0.111 0.000 0.814 133 K CB 2.127 34.580 32.500 -0.077 0.000 1.122 133 K HN 0.752 nan 8.250 nan 0.000 0.425 165 V N 2.738 122.541 119.914 -0.185 0.000 2.628 165 V HA 0.453 4.573 4.120 0.001 0.000 0.306 165 V C -0.599 175.548 176.094 0.088 0.000 1.045 165 V CA -0.828 61.424 62.300 -0.081 0.000 0.905 165 V CB 1.408 33.257 31.823 0.043 0.000 0.997 165 V HN 0.230 nan 8.190 nan 0.000 0.436 166 F N 5.412 125.374 119.950 0.020 0.000 2.456 166 F HA 0.587 5.114 4.527 0.001 0.000 0.358 166 F C 0.180 176.137 175.800 0.261 0.000 1.095 166 F CA -0.795 57.420 58.000 0.359 0.000 1.216 166 F CB 0.504 39.693 39.000 0.315 0.000 1.125 166 F HN 0.339 nan 8.300 nan 0.000 0.549 167 I N 6.597 126.949 120.570 -0.364 0.000 2.867 167 I HA 0.351 4.521 4.170 0.001 0.000 0.282 167 I C 0.286 176.083 176.117 -0.534 0.000 1.437 167 I CA -0.373 60.726 61.300 -0.336 0.000 0.918 167 I CB 0.354 38.335 38.000 -0.033 0.000 1.612 167 I HN 0.917 nan 8.210 nan 0.000 0.592 168 G N 3.239 111.455 108.800 -0.974 0.000 2.804 168 G HA2 -0.212 3.748 3.960 0.001 0.000 0.230 168 G HA3 -0.212 3.748 3.960 0.001 0.000 0.230 168 G C -0.534 174.135 174.900 -0.385 0.000 1.386 168 G CA -0.653 44.111 45.100 -0.561 0.000 0.875 168 G HN 0.548 nan 8.290 nan 0.000 0.557 169 R N -1.143 119.279 120.500 -0.129 0.000 2.599 169 R HA 0.589 4.929 4.340 0.001 0.000 0.295 169 R C -0.576 175.679 176.300 -0.076 0.000 0.963 169 R CA -0.931 55.142 56.100 -0.046 0.000 0.883 169 R CB 1.883 32.217 30.300 0.055 0.000 1.171 169 R HN 0.586 nan 8.270 nan 0.000 0.450 170 L N 5.069 126.244 121.223 -0.080 0.000 2.272 170 L HA 0.404 4.744 4.340 0.001 0.000 0.284 170 L C -2.319 174.586 176.870 0.057 0.000 1.045 170 L CA -2.120 52.692 54.840 -0.047 0.000 0.842 170 L CB 1.013 43.030 42.059 -0.071 0.000 1.224 170 L HN 0.444 nan 8.230 nan 0.000 0.430 171 P HA -0.014 nan 4.420 nan 0.000 0.256 171 P C -0.083 177.359 177.300 0.236 0.000 1.189 171 P CA 0.578 63.785 63.100 0.177 0.000 0.808 171 P CB -0.001 31.838 31.700 0.233 0.000 0.793 172 I N 3.828 124.410 120.570 0.019 0.000 2.638 172 I HA 0.170 4.340 4.170 0.001 0.000 0.286 172 I C 1.386 177.074 176.117 -0.715 0.000 1.088 172 I CA -0.486 60.746 61.300 -0.113 0.000 1.397 172 I CB 0.626 38.543 38.000 -0.138 0.000 1.414 172 I HN 0.260 nan 8.210 nan 0.000 0.566 173 M N 5.309 124.086 119.600 -1.373 0.000 2.249 173 M HA 0.300 4.780 4.480 0.001 0.000 0.351 173 M C -0.915 175.005 176.300 -0.634 0.000 1.180 173 M CA -0.727 53.592 55.300 -1.635 0.000 1.127 173 M CB 0.998 32.444 32.600 -1.923 0.000 1.546 173 M HN 0.310 nan 8.290 nan 0.000 0.461 174 L N 4.595 125.445 121.223 -0.622 0.000 2.456 174 L HA 0.175 4.515 4.340 0.001 0.000 0.272 174 L C 0.953 177.648 176.870 -0.291 0.000 1.189 174 L CA 0.891 55.463 54.840 -0.447 0.000 0.846 174 L CB 0.351 41.932 42.059 -0.797 0.000 1.111 174 L HN 0.926 nan 8.230 nan 0.000 0.475 175 R N -0.286 120.130 120.500 -0.140 0.000 3.989 175 R HA -0.173 4.167 4.340 0.001 0.000 0.377 175 R C 0.022 176.312 176.300 -0.017 0.000 1.158 175 R CA 1.003 57.067 56.100 -0.059 0.000 1.035 175 R CB -1.895 28.368 30.300 -0.062 0.000 1.557 175 R HN 0.878 nan 8.270 nan 0.000 0.551 176 S N -1.445 114.255 115.700 -0.001 0.000 2.713 176 S HA 0.378 4.848 4.470 0.001 0.000 0.277 176 S C 1.167 175.802 174.600 0.058 0.000 1.168 176 S CA -0.505 57.744 58.200 0.081 0.000 0.994 176 S CB 1.396 64.747 63.200 0.252 0.000 1.054 176 S HN 0.231 nan 8.310 nan 0.000 0.555 177 K N 0.523 120.952 120.400 0.049 0.000 2.113 177 K HA -0.141 4.179 4.320 0.001 0.000 0.208 177 K C 1.267 177.841 176.600 -0.044 0.000 1.047 177 K CA 1.905 58.189 56.287 -0.005 0.000 0.928 177 K CB -0.478 32.006 32.500 -0.026 0.000 0.716 177 K HN 0.529 nan 8.250 nan 0.000 0.446 178 N N -0.230 118.448 118.700 -0.036 0.000 2.467 178 N HA -0.026 4.715 4.740 0.001 0.000 0.184 178 N C -0.064 175.358 175.510 -0.147 0.000 1.106 178 N CA 0.156 53.136 53.050 -0.117 0.000 0.892 178 N CB 0.171 38.600 38.487 -0.098 0.000 0.969 178 N HN 0.153 nan 8.380 nan 0.000 0.454 179 C N 0.736 120.027 119.300 -0.015 0.000 2.514 179 C HA 0.156 4.617 4.460 0.001 0.000 0.392 179 C C 1.540 176.571 174.990 0.070 0.000 1.294 179 C CA -0.707 58.389 59.018 0.130 0.000 1.957 179 C CB -1.020 26.806 27.740 0.144 0.000 2.541 179 C HN 0.472 nan 8.230 nan 0.000 0.569 180 Y N 3.560 123.836 120.300 -0.040 0.000 2.256 180 Y HA -0.115 4.435 4.550 0.001 0.000 0.288 180 Y C 2.070 177.962 175.900 -0.012 0.000 1.155 180 Y CA 1.615 59.661 58.100 -0.090 0.000 1.203 180 Y CB -0.667 37.618 38.460 -0.291 0.000 0.980 180 Y HN 0.665 nan 8.280 nan 0.000 0.530 181 L N -0.378 120.949 121.223 0.173 0.000 2.083 181 L HA -0.253 4.088 4.340 0.001 0.000 0.209 181 L C 2.611 179.522 176.870 0.068 0.000 1.083 181 L CA 1.478 56.380 54.840 0.103 0.000 0.752 181 L CB -1.012 41.078 42.059 0.051 0.000 0.899 181 L HN 0.324 nan 8.230 nan 0.000 0.433 182 S N 0.078 115.808 115.700 0.049 0.000 2.368 182 S HA -0.297 4.174 4.470 0.001 0.000 0.226 182 S C 1.783 176.405 174.600 0.038 0.000 1.044 182 S CA 1.784 60.004 58.200 0.034 0.000 1.062 182 S CB -0.510 62.702 63.200 0.020 0.000 0.931 182 S HN 0.510 nan 8.310 nan 0.000 0.440 183 E N 2.090 122.312 120.200 0.036 0.000 2.047 183 E HA 0.228 4.578 4.350 0.001 0.000 0.191 183 E C 1.319 177.952 176.600 0.055 0.000 0.987 183 E CA 0.562 56.986 56.400 0.039 0.000 0.799 183 E CB -0.429 29.287 29.700 0.027 0.000 0.752 183 E HN 0.716 nan 8.360 nan 0.000 0.449 184 A N 1.190 124.057 122.820 0.078 0.000 2.567 184 A HA 0.084 4.404 4.320 0.001 0.000 0.236 184 A C 0.639 178.260 177.584 0.062 0.000 1.088 184 A CA 0.807 52.895 52.037 0.085 0.000 0.776 184 A CB -0.066 19.004 19.000 0.118 0.000 1.033 184 A HN 0.291 nan 8.150 nan 0.000 0.513 185 T N -1.798 112.790 114.554 0.057 0.000 2.905 185 T HA 0.520 4.870 4.350 0.001 0.000 0.283 185 T C 0.883 175.611 174.700 0.047 0.000 1.031 185 T CA 0.215 62.340 62.100 0.040 0.000 1.002 185 T CB 1.031 69.914 68.868 0.026 0.000 1.200 185 T HN 0.730 nan 8.240 nan 0.000 0.560 186 E N 0.980 121.197 120.200 0.029 0.000 2.041 186 E HA -0.284 4.066 4.350 0.001 0.000 0.227 186 E C 2.237 178.892 176.600 0.092 0.000 1.039 186 E CA 3.089 59.517 56.400 0.047 0.000 0.904 186 E CB -0.707 28.976 29.700 -0.028 0.000 0.808 186 E HN 0.763 nan 8.360 nan 0.000 0.510 187 S N 0.471 116.161 115.700 -0.017 0.000 2.372 187 S HA -0.315 4.155 4.470 0.001 0.000 0.227 187 S C 1.893 176.524 174.600 0.053 0.000 1.044 187 S CA 1.652 59.825 58.200 -0.046 0.000 1.050 187 S CB -0.832 62.325 63.200 -0.072 0.000 0.901 187 S HN 0.373 nan 8.310 nan 0.000 0.447 188 D N 1.690 122.123 120.400 0.056 0.000 2.127 188 D HA -0.117 4.524 4.640 0.001 0.000 0.190 188 D C 2.020 178.378 176.300 0.096 0.000 1.000 188 D CA 1.674 55.716 54.000 0.070 0.000 0.839 188 D CB -0.291 40.553 40.800 0.074 0.000 0.955 188 D HN 0.396 nan 8.370 nan 0.000 0.446 189 L N -0.248 121.045 121.223 0.117 0.000 1.956 189 L HA -0.258 4.082 4.340 0.001 0.000 0.216 189 L C 2.690 179.609 176.870 0.083 0.000 1.073 189 L CA 1.390 56.282 54.840 0.088 0.000 0.762 189 L CB -0.994 41.094 42.059 0.047 0.000 0.889 189 L HN 0.129 nan 8.230 nan 0.000 0.433 190 Y N 0.546 120.818 120.300 -0.047 0.000 2.133 190 Y HA -0.346 4.205 4.550 0.001 0.000 0.279 190 Y C 2.598 178.467 175.900 -0.053 0.000 1.209 190 Y CA 1.684 59.750 58.100 -0.057 0.000 1.152 190 Y CB -0.564 37.856 38.460 -0.068 0.000 0.961 190 Y HN 0.144 nan 8.280 nan 0.000 0.512 191 K N -0.310 120.156 120.400 0.111 0.000 2.439 191 K HA -0.059 4.261 4.320 0.001 0.000 0.197 191 K C 1.534 178.117 176.600 -0.027 0.000 1.041 191 K CA 0.773 57.077 56.287 0.028 0.000 0.970 191 K CB -0.168 32.339 32.500 0.011 0.000 0.773 191 K HN 0.352 nan 8.250 nan 0.000 0.479 192 L N -0.190 121.020 121.223 -0.022 0.000 2.477 192 L HA 0.049 4.390 4.340 0.001 0.000 0.220 192 L C 0.823 177.661 176.870 -0.055 0.000 1.106 192 L CA 0.398 55.201 54.840 -0.061 0.000 0.851 192 L CB 0.097 42.163 42.059 0.012 0.000 0.994 192 L HN 0.075 nan 8.230 nan 0.000 0.462 193 K N -1.865 118.501 120.400 -0.057 0.000 3.448 193 K HA -0.144 4.176 4.320 0.001 0.000 0.292 193 K C 0.270 176.804 176.600 -0.110 0.000 0.847 193 K CA 0.743 56.982 56.287 -0.080 0.000 1.278 193 K CB -0.740 31.727 32.500 -0.054 0.000 1.266 193 K HN 0.118 nan 8.250 nan 0.000 0.523 194 E N 1.868 122.020 120.200 -0.080 0.000 2.415 194 E HA -0.023 4.327 4.350 0.001 0.000 0.263 194 E C 0.008 176.510 176.600 -0.164 0.000 0.995 194 E CA 0.294 56.648 56.400 -0.076 0.000 0.915 194 E CB 0.742 30.422 29.700 -0.033 0.000 0.951 194 E HN 0.304 nan 8.360 nan 0.000 0.449 195 C N 7.652 126.862 119.300 -0.149 0.000 2.637 195 C HA 0.163 4.623 4.460 0.001 0.000 0.418 195 C C -0.614 174.278 174.990 -0.162 0.000 1.319 195 C CA -1.588 57.290 59.018 -0.233 0.000 1.949 195 C CB 0.110 27.784 27.740 -0.110 0.000 2.639 195 C HN 0.615 nan 8.230 nan 0.000 0.594 196 P HA -0.150 nan 4.420 nan 0.000 0.215 196 P C 1.519 178.766 177.300 -0.088 0.000 1.157 196 P CA 1.870 64.858 63.100 -0.187 0.000 0.863 196 P CB -0.188 31.351 31.700 -0.267 0.000 0.787 197 F N 0.307 120.220 119.950 -0.061 0.000 2.287 197 F HA -0.155 4.372 4.527 0.001 0.000 0.301 197 F C 1.273 177.138 175.800 0.108 0.000 1.069 197 F CA 0.200 58.167 58.000 -0.055 0.000 1.372 197 F CB -0.809 38.050 39.000 -0.236 0.000 1.056 197 F HN -0.004 nan 8.300 nan 0.000 0.523 198 D N 0.608 121.177 120.400 0.282 0.000 2.443 198 D HA -0.057 4.584 4.640 0.001 0.000 0.239 198 D C 0.982 177.425 176.300 0.238 0.000 1.136 198 D CA 0.208 54.379 54.000 0.286 0.000 0.879 198 D CB 0.661 41.580 40.800 0.198 0.000 1.195 198 D HN 0.018 nan 8.370 nan 0.000 0.443 199 M N 1.826 121.570 119.600 0.241 0.000 2.306 199 M HA 0.315 4.795 4.480 0.001 0.000 0.292 199 M C 0.849 177.224 176.300 0.124 0.000 1.018 199 M CA 0.223 55.621 55.300 0.165 0.000 1.007 199 M CB -0.753 31.936 32.600 0.147 0.000 1.510 199 M HN 0.376 nan 8.290 nan 0.000 0.537 200 G N 1.729 110.647 108.800 0.197 0.000 2.606 200 G HA2 0.022 3.982 3.960 0.001 0.000 0.285 200 G HA3 0.022 3.982 3.960 0.001 0.000 0.285 200 G C 0.693 175.633 174.900 0.068 0.000 1.311 200 G CA 1.040 46.150 45.100 0.016 0.000 0.922 200 G HN 1.809 nan 8.290 nan 0.000 0.559 201 G N -3.386 105.321 108.800 -0.156 0.000 2.154 201 G HA2 0.302 4.263 3.960 0.001 0.000 0.186 201 G HA3 0.302 4.263 3.960 0.001 0.000 0.186 201 G C 0.111 175.036 174.900 0.042 0.000 1.000 201 G CA 1.036 46.110 45.100 -0.044 0.000 0.664 201 G HN 2.354 nan 8.290 nan 0.000 0.513 202 Y N -1.406 118.845 120.300 -0.082 0.000 2.634 202 Y HA 0.874 5.424 4.550 0.001 0.000 0.340 202 Y C -0.208 175.699 175.900 0.011 0.000 1.058 202 Y CA -2.551 55.568 58.100 0.032 0.000 1.081 202 Y CB 0.781 39.225 38.460 -0.026 0.000 1.295 202 Y HN -0.055 nan 8.280 nan 0.000 0.487 203 F N 0.760 120.721 119.950 0.018 0.000 2.377 203 F HA 0.646 5.173 4.527 0.001 0.000 0.335 203 F C -0.073 175.777 175.800 0.084 0.000 1.099 203 F CA -1.728 56.247 58.000 -0.042 0.000 1.072 203 F CB 1.030 39.999 39.000 -0.052 0.000 1.417 203 F HN 0.364 nan 8.300 nan 0.000 0.495 204 I N 2.544 123.271 120.570 0.262 0.000 2.649 204 I HA 0.208 4.379 4.170 0.001 0.000 0.275 204 I C -1.248 174.984 176.117 0.191 0.000 1.153 204 I CA -0.217 61.201 61.300 0.196 0.000 1.069 204 I CB 0.666 38.728 38.000 0.103 0.000 1.227 204 I HN 0.219 nan 8.210 nan 0.000 0.505 205 I N 3.834 124.504 120.570 0.165 0.000 2.783 205 I HA 0.249 4.420 4.170 0.001 0.000 0.312 205 I C 1.239 177.410 176.117 0.089 0.000 0.988 205 I CA -0.539 60.835 61.300 0.123 0.000 1.182 205 I CB 0.405 38.463 38.000 0.097 0.000 1.368 205 I HN 0.340 nan 8.210 nan 0.000 0.511 206 N N 3.893 122.634 118.700 0.067 0.000 2.990 206 N HA -0.242 4.499 4.740 0.001 0.000 0.290 206 N C 0.989 176.534 175.510 0.059 0.000 1.036 206 N CA 1.197 54.275 53.050 0.046 0.000 0.874 206 N CB -0.621 37.885 38.487 0.031 0.000 0.921 206 N HN 0.995 nan 8.380 nan 0.000 0.613 207 G N -0.802 108.042 108.800 0.072 0.000 5.219 207 G HA2 -0.363 3.598 3.960 0.001 0.000 0.267 207 G HA3 -0.363 3.598 3.960 0.001 0.000 0.267 207 G C 0.097 175.050 174.900 0.087 0.000 1.495 207 G CA 0.405 45.560 45.100 0.091 0.000 0.988 207 G HN 0.950 nan 8.290 nan 0.000 0.707 208 S N 1.822 117.564 115.700 0.071 0.000 2.563 208 S HA 0.406 4.877 4.470 0.001 0.000 0.284 208 S C 0.044 174.686 174.600 0.070 0.000 1.331 208 S CA 0.563 58.794 58.200 0.051 0.000 1.047 208 S CB 1.115 64.330 63.200 0.025 0.000 0.859 208 S HN 0.673 nan 8.310 nan 0.000 0.514 209 E N 1.870 122.097 120.200 0.045 0.000 2.070 209 E HA 0.166 4.516 4.350 0.001 0.000 0.282 209 E C -0.277 176.347 176.600 0.040 0.000 1.104 209 E CA -0.348 56.101 56.400 0.082 0.000 0.876 209 E CB 0.456 30.103 29.700 -0.089 0.000 1.055 209 E HN 0.330 nan 8.360 nan 0.000 0.401 210 K N 2.194 122.667 120.400 0.122 0.000 2.159 210 K HA 0.427 4.747 4.320 0.001 0.000 0.266 210 K C -0.560 176.076 176.600 0.060 0.000 0.975 210 K CA -0.800 55.516 56.287 0.047 0.000 0.865 210 K CB 2.030 34.547 32.500 0.029 0.000 1.087 210 K HN 0.200 nan 8.250 nan 0.000 0.446 211 V N 4.133 124.001 119.914 -0.076 0.000 2.495 211 V HA 0.387 4.508 4.120 0.001 0.000 0.298 211 V C 0.058 176.042 176.094 -0.184 0.000 1.031 211 V CA -0.972 61.251 62.300 -0.127 0.000 0.871 211 V CB 1.679 33.281 31.823 -0.367 0.000 0.988 211 V HN 0.553 nan 8.190 nan 0.000 0.432 212 L N 5.406 126.528 121.223 -0.169 0.000 2.290 212 L HA 0.458 4.798 4.340 0.001 0.000 0.284 212 L C -0.427 176.328 176.870 -0.193 0.000 1.078 212 L CA -0.314 54.390 54.840 -0.226 0.000 0.815 212 L CB 1.014 42.935 42.059 -0.230 0.000 1.162 212 L HN 0.405 nan 8.230 nan 0.000 0.435 213 I N 2.900 123.343 120.570 -0.211 0.000 2.385 213 I HA 0.279 4.449 4.170 0.001 0.000 0.294 213 I C 0.773 176.805 176.117 -0.140 0.000 0.988 213 I CA -0.552 60.656 61.300 -0.154 0.000 1.265 213 I CB 1.640 39.569 38.000 -0.118 0.000 1.388 213 I HN 0.623 nan 8.210 nan 0.000 0.480 214 A N 7.229 129.993 122.820 -0.092 0.000 2.598 214 A HA -0.006 4.314 4.320 0.001 0.000 0.239 214 A C 0.272 177.809 177.584 -0.078 0.000 1.032 214 A CA 0.213 52.208 52.037 -0.070 0.000 0.760 214 A CB -0.157 18.820 19.000 -0.038 0.000 0.946 214 A HN 0.655 nan 8.150 nan 0.000 0.512 215 Q N 1.951 121.703 119.800 -0.080 0.000 2.644 215 Q HA 0.164 4.504 4.340 0.001 0.000 0.245 215 Q C -0.082 175.889 176.000 -0.048 0.000 1.064 215 Q CA -0.171 55.585 55.803 -0.079 0.000 0.860 215 Q CB 0.990 29.659 28.738 -0.115 0.000 1.145 215 Q HN 0.952 nan 8.270 nan 0.000 0.515 216 E N 2.662 122.847 120.200 -0.025 0.000 2.467 216 E HA 0.042 4.393 4.350 0.001 0.000 0.264 216 E C -0.335 176.253 176.600 -0.020 0.000 1.020 216 E CA 0.434 56.827 56.400 -0.011 0.000 0.945 216 E CB 0.539 30.267 29.700 0.047 0.000 0.942 216 E HN 0.442 nan 8.360 nan 0.000 0.449 217 R N 0.880 121.359 120.500 -0.035 0.000 2.741 217 R HA 0.289 4.630 4.340 0.001 0.000 0.276 217 R C -1.490 174.781 176.300 -0.048 0.000 1.028 217 R CA -0.757 55.324 56.100 -0.031 0.000 0.865 217 R CB 0.752 31.035 30.300 -0.028 0.000 1.268 217 R HN 0.251 nan 8.270 nan 0.000 0.475 218 S N 0.506 116.185 115.700 -0.035 0.000 2.505 218 S HA 0.601 5.072 4.470 0.001 0.000 0.276 218 S C 0.278 174.838 174.600 -0.065 0.000 1.274 218 S CA 0.079 58.254 58.200 -0.043 0.000 1.053 218 S CB 0.092 63.283 63.200 -0.015 0.000 0.919 218 S HN 0.822 nan 8.310 nan 0.000 0.490 219 A N 4.141 126.899 122.820 -0.102 0.000 2.521 219 A HA 0.529 4.849 4.320 0.001 0.000 0.237 219 A C 0.844 178.365 177.584 -0.105 0.000 1.087 219 A CA 0.262 52.218 52.037 -0.133 0.000 0.777 219 A CB -0.398 18.476 19.000 -0.210 0.000 1.035 219 A HN 1.013 nan 8.150 nan 0.000 0.510 220 G N -0.853 107.881 108.800 -0.110 0.000 2.537 220 G HA2 0.476 4.436 3.960 0.001 0.000 0.323 220 G HA3 0.476 4.436 3.960 0.001 0.000 0.323 220 G C -0.381 174.448 174.900 -0.118 0.000 1.207 220 G CA -0.459 44.586 45.100 -0.092 0.000 0.976 220 G HN 1.046 nan 8.290 nan 0.000 0.487 221 N N -1.019 117.593 118.700 -0.146 0.000 2.671 221 N HA -0.159 4.582 4.740 0.001 0.000 0.261 221 N C -0.680 174.779 175.510 -0.085 0.000 1.053 221 N CA 1.068 53.979 53.050 -0.232 0.000 0.732 221 N CB -1.138 37.158 38.487 -0.319 0.000 0.887 221 N HN 0.572 nan 8.380 nan 0.000 0.546 222 I N -0.723 119.815 120.570 -0.053 0.000 2.775 222 I HA 0.292 4.462 4.170 0.001 0.000 0.295 222 I C 0.023 176.106 176.117 -0.056 0.000 1.287 222 I CA -1.181 60.101 61.300 -0.030 0.000 1.029 222 I CB 2.418 40.378 38.000 -0.066 0.000 1.282 222 I HN -0.196 nan 8.210 nan 0.000 0.426 223 V N 3.781 123.645 119.914 -0.084 0.000 2.509 223 V HA 0.518 4.638 4.120 0.001 0.000 0.284 223 V C -0.368 175.579 176.094 -0.246 0.000 1.047 223 V CA -0.453 61.745 62.300 -0.171 0.000 0.952 223 V CB 1.062 32.737 31.823 -0.245 0.000 0.988 223 V HN 0.745 nan 8.190 nan 0.000 0.469 224 Q N 2.310 121.902 119.800 -0.347 0.000 2.284 224 Q HA 0.623 4.963 4.340 0.001 0.000 0.269 224 Q C -1.206 174.336 176.000 -0.764 0.000 1.026 224 Q CA -0.810 54.674 55.803 -0.532 0.000 0.831 224 Q CB 2.958 31.346 28.738 -0.583 0.000 1.322 224 Q HN 0.782 nan 8.270 nan 0.000 0.419 225 V N -0.731 118.789 119.914 -0.656 0.000 2.612 225 V HA 0.728 4.848 4.120 0.001 0.000 0.301 225 V C -0.638 175.125 176.094 -0.552 0.000 1.046 225 V CA -0.528 61.466 62.300 -0.509 0.000 0.946 225 V CB 0.793 32.467 31.823 -0.248 0.000 1.003 225 V HN 0.663 nan 8.190 nan 0.000 0.459 226 F N 0.767 120.653 119.950 -0.106 0.000 2.569 226 F HA 0.527 5.054 4.527 0.001 0.000 0.312 226 F C 0.231 175.917 175.800 -0.189 0.000 1.109 226 F CA -1.072 56.849 58.000 -0.131 0.000 0.919 226 F CB 2.517 41.466 39.000 -0.084 0.000 1.211 226 F HN 0.411 nan 8.300 nan 0.000 0.446 227 K N 3.167 123.545 120.400 -0.036 0.000 2.249 227 K HA 0.329 4.649 4.320 0.001 0.000 0.280 227 K C -0.555 176.032 176.600 -0.021 0.000 1.033 227 K CA -0.464 55.714 56.287 -0.182 0.000 0.946 227 K CB 1.224 33.592 32.500 -0.220 0.000 1.005 227 K HN 0.542 nan 8.250 nan 0.000 0.469 228 K N 1.389 121.810 120.400 0.036 0.000 2.156 228 K HA 0.344 4.664 4.320 0.001 0.000 0.254 228 K C -0.416 176.192 176.600 0.014 0.000 0.950 228 K CA -0.699 55.600 56.287 0.020 0.000 0.849 228 K CB 1.747 34.262 32.500 0.024 0.000 1.100 228 K HN 0.727 nan 8.250 nan 0.000 0.434 229 A N 1.415 124.230 122.820 -0.008 0.000 2.639 229 A HA -0.044 4.276 4.320 0.001 0.000 0.229 229 A C 1.292 178.877 177.584 0.002 0.000 1.062 229 A CA 1.138 53.170 52.037 -0.008 0.000 0.761 229 A CB -0.116 18.874 19.000 -0.017 0.000 0.988 229 A HN 0.942 nan 8.150 nan 0.000 0.510 230 A N 2.130 124.952 122.820 0.003 0.000 1.940 230 A HA 0.030 4.350 4.320 0.001 0.000 0.219 230 A C -0.614 176.971 177.584 0.001 0.000 1.176 230 A CA 1.653 53.694 52.037 0.007 0.000 0.631 230 A CB -1.243 17.760 19.000 0.005 0.000 0.814 230 A HN 0.772 nan 8.150 nan 0.000 0.446 231 P HA 0.346 nan 4.420 nan 0.000 0.251 231 P C -0.692 176.599 177.300 -0.015 0.000 1.718 231 P CA 0.417 63.512 63.100 -0.008 0.000 1.119 231 P CB 0.384 32.079 31.700 -0.009 0.000 1.762 232 S N 3.869 119.558 115.700 -0.018 0.000 2.678 232 S HA 0.299 4.769 4.470 0.001 0.000 0.290 232 S C -2.367 172.204 174.600 -0.047 0.000 1.047 232 S CA -0.771 57.407 58.200 -0.036 0.000 0.851 232 S CB 1.018 64.193 63.200 -0.041 0.000 1.058 232 S HN 0.086 nan 8.310 nan 0.000 0.451 233 P HA 0.181 nan 4.420 nan 0.000 0.220 233 P C 0.283 177.487 177.300 -0.160 0.000 1.152 233 P CA 0.513 63.559 63.100 -0.091 0.000 0.812 233 P CB -0.189 31.451 31.700 -0.100 0.000 0.792 234 I N 0.754 121.186 120.570 -0.229 0.000 2.471 234 I HA 0.029 4.200 4.170 0.001 0.000 0.286 234 I C 1.989 178.072 176.117 -0.057 0.000 1.079 234 I CA 0.397 61.570 61.300 -0.212 0.000 1.398 234 I CB 0.516 38.384 38.000 -0.221 0.000 1.403 234 I HN -0.095 nan 8.210 nan 0.000 0.530 235 S N 5.744 121.433 115.700 -0.018 0.000 2.315 235 S HA 0.153 4.624 4.470 0.001 0.000 0.211 235 S C 0.540 175.327 174.600 0.313 0.000 1.029 235 S CA 0.708 58.940 58.200 0.053 0.000 0.956 235 S CB 0.015 63.128 63.200 -0.146 0.000 0.918 235 S HN 0.678 nan 8.310 nan 0.000 0.470 236 H N -1.174 117.890 119.070 -0.010 0.000 2.865 236 H HA 0.734 5.290 4.556 0.001 0.000 0.372 236 H C -1.539 173.782 175.328 -0.012 0.000 1.173 236 H CA -1.275 54.772 56.048 -0.002 0.000 1.147 236 H CB 2.089 31.843 29.762 -0.012 0.000 1.805 236 H HN 0.162 nan 8.280 nan 0.000 0.553 237 V N 0.707 120.685 119.914 0.108 0.000 2.932 237 V HA 0.513 4.633 4.120 0.001 0.000 0.307 237 V C -0.840 175.201 176.094 -0.088 0.000 1.147 237 V CA -0.881 61.433 62.300 0.023 0.000 0.951 237 V CB 1.898 33.744 31.823 0.037 0.000 1.031 237 V HN 0.916 nan 8.190 nan 0.000 0.426 238 A N 2.995 125.746 122.820 -0.116 0.000 2.288 238 A HA 0.837 5.157 4.320 0.001 0.000 0.320 238 A C -0.386 177.093 177.584 -0.175 0.000 1.217 238 A CA -0.485 51.425 52.037 -0.211 0.000 0.840 238 A CB 0.692 19.578 19.000 -0.190 0.000 1.179 238 A HN 0.832 nan 8.150 nan 0.000 0.504 239 E N 0.939 120.998 120.200 -0.236 0.000 2.221 239 E HA 0.683 5.034 4.350 0.001 0.000 0.268 239 E C -1.399 175.134 176.600 -0.112 0.000 0.933 239 E CA -0.626 55.695 56.400 -0.132 0.000 0.809 239 E CB 2.704 32.359 29.700 -0.074 0.000 1.190 239 E HN 0.609 nan 8.360 nan 0.000 0.406 240 I N 1.239 121.777 120.570 -0.053 0.000 2.627 240 I HA 0.225 4.396 4.170 0.001 0.000 0.288 240 I C -1.295 174.805 176.117 -0.028 0.000 1.202 240 I CA -0.515 60.769 61.300 -0.027 0.000 1.050 240 I CB 1.176 39.205 38.000 0.047 0.000 1.264 240 I HN 0.396 nan 8.210 nan 0.000 0.429 241 R N 5.281 125.754 120.500 -0.043 0.000 2.235 241 R HA 0.318 4.658 4.340 0.001 0.000 0.338 241 R C -0.225 176.034 176.300 -0.069 0.000 1.087 241 R CA -0.342 55.735 56.100 -0.039 0.000 0.948 241 R CB 0.769 31.050 30.300 -0.032 0.000 1.099 241 R HN 0.632 nan 8.270 nan 0.000 0.483 242 S N 1.208 116.883 115.700 -0.042 0.000 2.499 242 S HA 0.727 5.197 4.470 0.001 0.000 0.279 242 S C -0.165 174.452 174.600 0.027 0.000 1.219 242 S CA -0.851 57.324 58.200 -0.042 0.000 1.062 242 S CB 2.032 65.265 63.200 0.055 0.000 0.978 242 S HN 0.637 nan 8.310 nan 0.000 0.489 243 A N 3.242 126.078 122.820 0.025 0.000 2.512 243 A HA 0.525 4.846 4.320 0.001 0.000 0.294 243 A C -0.641 176.978 177.584 0.058 0.000 1.054 243 A CA -0.882 51.194 52.037 0.065 0.000 0.756 243 A CB 0.673 19.701 19.000 0.047 0.000 1.293 243 A HN 0.849 nan 8.150 nan 0.000 0.395 244 L N 2.775 124.031 121.223 0.055 0.000 2.534 244 L HA 0.037 4.378 4.340 0.001 0.000 0.271 244 L C 1.614 178.499 176.870 0.025 0.000 1.178 244 L CA 0.066 54.921 54.840 0.025 0.000 0.907 244 L CB 0.338 42.374 42.059 -0.038 0.000 1.164 244 L HN 0.954 nan 8.230 nan 0.000 0.482 245 E N 2.687 122.909 120.200 0.037 0.000 2.171 245 E HA -0.167 4.184 4.350 0.001 0.000 0.197 245 E C -0.160 176.459 176.600 0.033 0.000 0.997 245 E CA 1.361 57.785 56.400 0.041 0.000 0.810 245 E CB 0.110 29.842 29.700 0.053 0.000 0.738 245 E HN 0.495 nan 8.360 nan 0.000 0.467 246 K N -1.018 119.391 120.400 0.014 0.000 2.588 246 K HA 0.443 4.763 4.320 0.001 0.000 0.250 246 K C -0.991 175.591 176.600 -0.031 0.000 0.972 246 K CA -0.090 56.198 56.287 0.003 0.000 0.821 246 K CB 2.310 34.815 32.500 0.007 0.000 1.249 246 K HN 0.120 nan 8.250 nan 0.000 0.442 247 G N 1.416 110.189 108.800 -0.045 0.000 2.949 247 G HA2 -0.011 3.949 3.960 0.001 0.000 0.658 247 G HA3 -0.011 3.949 3.960 0.001 0.000 0.658 247 G C 0.149 174.960 174.900 -0.148 0.000 1.194 247 G CA 0.024 45.069 45.100 -0.091 0.000 1.204 247 G HN 0.692 nan 8.290 nan 0.000 0.524 248 S N 1.048 116.672 115.700 -0.127 0.000 2.242 248 S HA -0.337 4.133 4.470 0.001 0.000 0.233 248 S C 1.369 175.934 174.600 -0.058 0.000 1.183 248 S CA 2.502 60.612 58.200 -0.150 0.000 1.639 248 S CB -1.175 61.798 63.200 -0.379 0.000 2.135 248 S HN 2.342 nan 8.310 nan 0.000 0.602 249 R N 0.300 120.767 120.500 -0.055 0.000 3.022 249 R HA -0.131 4.210 4.340 0.001 0.000 0.248 249 R C 0.144 176.556 176.300 0.186 0.000 0.874 249 R CA 1.068 57.195 56.100 0.046 0.000 0.626 249 R CB -2.340 27.997 30.300 0.061 0.000 1.255 249 R HN 0.580 nan 8.270 nan 0.000 0.496 250 F N 0.753 120.717 119.950 0.023 0.000 2.490 250 F HA 0.173 4.700 4.527 0.001 0.000 0.336 250 F C 1.700 177.516 175.800 0.027 0.000 1.178 250 F CA -0.424 57.594 58.000 0.029 0.000 1.301 250 F CB 0.643 39.661 39.000 0.030 0.000 1.175 250 F HN 0.194 nan 8.300 nan 0.000 0.593 251 I N 2.210 122.894 120.570 0.190 0.000 2.917 251 I HA 0.041 4.211 4.170 0.001 0.000 0.292 251 I C -0.833 175.309 176.117 0.041 0.000 1.510 251 I CA -0.189 61.168 61.300 0.095 0.000 0.858 251 I CB 0.678 38.719 38.000 0.068 0.000 1.862 251 I HN 0.333 nan 8.210 nan 0.000 0.615 252 S N 0.686 116.413 115.700 0.046 0.000 2.480 252 S HA 0.572 5.043 4.470 0.001 0.000 0.286 252 S C 0.143 174.747 174.600 0.008 0.000 1.180 252 S CA -0.536 57.672 58.200 0.014 0.000 1.075 252 S CB 1.520 64.731 63.200 0.018 0.000 0.996 252 S HN 0.267 nan 8.310 nan 0.000 0.487 253 T N 3.153 117.702 114.554 -0.009 0.000 2.909 253 T HA 0.495 4.846 4.350 0.001 0.000 0.286 253 T C -0.574 174.098 174.700 -0.047 0.000 1.002 253 T CA -0.533 61.555 62.100 -0.020 0.000 1.074 253 T CB 0.762 69.622 68.868 -0.013 0.000 0.984 253 T HN 0.569 nan 8.240 nan 0.000 0.495 254 L N 2.997 124.184 121.223 -0.060 0.000 2.342 254 L HA 0.401 4.742 4.340 0.001 0.000 0.276 254 L C -0.624 176.202 176.870 -0.073 0.000 0.997 254 L CA -0.183 54.593 54.840 -0.107 0.000 0.838 254 L CB 1.296 43.261 42.059 -0.156 0.000 1.224 254 L HN 0.587 nan 8.230 nan 0.000 0.416 255 Q N 3.887 123.650 119.800 -0.061 0.000 2.282 255 Q HA 0.618 4.958 4.340 0.001 0.000 0.260 255 Q C -1.201 174.784 176.000 -0.025 0.000 0.964 255 Q CA -0.843 54.939 55.803 -0.034 0.000 0.880 255 Q CB 2.893 31.625 28.738 -0.011 0.000 1.286 255 Q HN 0.480 nan 8.270 nan 0.000 0.445 256 V N 3.577 123.479 119.914 -0.020 0.000 2.289 256 V HA 0.188 4.308 4.120 0.001 0.000 0.272 256 V C 0.129 176.236 176.094 0.022 0.000 1.026 256 V CA -0.547 61.752 62.300 -0.002 0.000 0.807 256 V CB 0.642 32.450 31.823 -0.025 0.000 1.044 256 V HN 0.680 nan 8.190 nan 0.000 0.443 257 K N 2.508 122.947 120.400 0.064 0.000 2.991 257 K HA 0.532 4.853 4.320 0.001 0.000 0.338 257 K C -0.336 176.327 176.600 0.104 0.000 1.038 257 K CA -0.313 56.025 56.287 0.085 0.000 1.099 257 K CB 0.224 32.807 32.500 0.138 0.000 1.090 257 K HN 0.339 nan 8.250 nan 0.000 0.449 258 L N 0.404 121.717 121.223 0.151 0.000 3.436 258 L HA 0.154 4.494 4.340 0.001 0.000 0.214 258 L C -1.468 175.494 176.870 0.153 0.000 1.065 258 L CA -0.067 54.853 54.840 0.135 0.000 1.280 258 L CB -0.843 41.237 42.059 0.035 0.000 1.519 258 L HN 0.420 nan 8.230 nan 0.000 0.702 259 Y N 1.714 122.013 120.300 -0.001 0.000 2.178 259 Y HA 0.392 4.942 4.550 0.001 0.000 0.364 259 Y C 1.674 177.565 175.900 -0.014 0.000 1.240 259 Y CA 1.327 59.427 58.100 0.001 0.000 1.609 259 Y CB -0.010 38.456 38.460 0.010 0.000 1.365 259 Y HN 0.838 nan 8.280 nan 0.000 0.737 260 G N 1.635 110.530 108.800 0.159 0.000 3.265 260 G HA2 -0.230 3.731 3.960 0.001 0.000 0.488 260 G HA3 -0.230 3.731 3.960 0.001 0.000 0.488 260 G C 0.142 175.049 174.900 0.011 0.000 0.742 260 G CA -0.450 44.693 45.100 0.071 0.000 0.841 260 G HN 0.535 nan 8.290 nan 0.000 0.457 261 R N 1.275 121.775 120.500 0.000 0.000 3.141 261 R HA 0.185 4.525 4.340 0.001 0.000 0.244 261 R C 0.947 177.228 176.300 -0.032 0.000 1.161 261 R CA -0.248 55.841 56.100 -0.018 0.000 1.091 261 R CB 0.227 30.526 30.300 -0.003 0.000 0.957 261 R HN 0.752 nan 8.270 nan 0.000 0.512 262 E N -0.020 120.163 120.200 -0.029 0.000 2.159 262 E HA 0.132 4.483 4.350 0.001 0.000 0.272 262 E C 0.260 176.851 176.600 -0.015 0.000 1.138 262 E CA 0.619 57.001 56.400 -0.031 0.000 0.915 262 E CB 0.040 29.730 29.700 -0.017 0.000 1.028 262 E HN 0.687 nan 8.360 nan 0.000 0.423 263 G N 3.448 112.238 108.800 -0.016 0.000 3.102 263 G HA2 -0.314 3.646 3.960 0.001 0.000 0.200 263 G HA3 -0.314 3.646 3.960 0.001 0.000 0.200 263 G C 0.165 175.065 174.900 -0.000 0.000 1.685 263 G CA -0.156 44.940 45.100 -0.006 0.000 1.299 263 G HN 0.992 nan 8.290 nan 0.000 0.576 264 S N 1.569 117.272 115.700 0.004 0.000 2.817 264 S HA 0.324 4.795 4.470 0.001 0.000 0.333 264 S C 0.769 175.376 174.600 0.012 0.000 1.227 264 S CA 0.926 59.133 58.200 0.011 0.000 1.027 264 S CB 0.333 63.544 63.200 0.019 0.000 0.732 264 S HN 2.220 nan 8.310 nan 0.000 0.499 265 S N 2.784 118.492 115.700 0.013 0.000 2.537 265 S HA 0.460 4.930 4.470 0.001 0.000 0.286 265 S C 0.671 175.281 174.600 0.016 0.000 1.299 265 S CA -0.427 57.781 58.200 0.012 0.000 1.067 265 S CB -0.064 63.142 63.200 0.010 0.000 0.864 265 S HN 2.461 nan 8.310 nan 0.000 0.494 266 A N 2.575 125.403 122.820 0.012 0.000 2.773 266 A HA -0.106 4.214 4.320 0.001 0.000 0.277 266 A C 0.316 177.914 177.584 0.024 0.000 1.374 266 A CA -0.147 51.898 52.037 0.014 0.000 0.725 266 A CB -1.882 17.125 19.000 0.012 0.000 1.108 266 A HN 0.841 nan 8.150 nan 0.000 0.392 267 R N 1.266 121.777 120.500 0.019 0.000 3.701 267 R HA 0.173 4.514 4.340 0.001 0.000 0.210 267 R C 0.872 177.192 176.300 0.034 0.000 1.598 267 R CA 0.659 56.775 56.100 0.027 0.000 1.427 267 R CB 0.086 30.384 30.300 -0.003 0.000 1.339 267 R HN 0.795 nan 8.270 nan 0.000 0.720 268 T N 0.933 115.512 114.554 0.041 0.000 2.856 268 T HA 0.237 4.588 4.350 0.001 0.000 0.306 268 T C 0.457 175.191 174.700 0.057 0.000 1.062 268 T CA -0.141 61.969 62.100 0.018 0.000 1.083 268 T CB 0.495 69.328 68.868 -0.058 0.000 0.984 268 T HN 0.325 nan 8.240 nan 0.000 0.542 269 I N 4.233 124.830 120.570 0.045 0.000 2.382 269 I HA 0.404 4.575 4.170 0.001 0.000 0.285 269 I C 0.307 176.463 176.117 0.064 0.000 1.007 269 I CA -0.691 60.655 61.300 0.076 0.000 1.142 269 I CB 1.264 39.304 38.000 0.066 0.000 1.289 269 I HN 0.560 nan 8.210 nan 0.000 0.453 270 K N 4.631 125.095 120.400 0.106 0.000 2.340 270 K HA 0.912 5.232 4.320 0.001 0.000 0.244 270 K C -0.917 175.750 176.600 0.112 0.000 0.973 270 K CA -0.854 55.482 56.287 0.081 0.000 0.828 270 K CB 2.923 35.432 32.500 0.015 0.000 1.226 270 K HN 0.598 nan 8.250 nan 0.000 0.437 271 A N 0.819 123.683 122.820 0.072 0.000 2.475 271 A HA 0.587 4.908 4.320 0.001 0.000 0.301 271 A C -0.998 176.605 177.584 0.031 0.000 1.059 271 A CA -0.659 51.405 52.037 0.045 0.000 0.710 271 A CB 1.618 20.627 19.000 0.014 0.000 1.288 271 A HN 0.534 nan 8.150 nan 0.000 0.408 272 T N 2.390 116.950 114.554 0.010 0.000 2.767 272 T HA 0.578 4.928 4.350 0.001 0.000 0.284 272 T C -0.346 174.330 174.700 -0.040 0.000 0.973 272 T CA -0.051 62.048 62.100 -0.002 0.000 0.996 272 T CB 0.277 69.149 68.868 0.007 0.000 0.927 272 T HN 0.436 nan 8.240 nan 0.000 0.456 273 L N 5.230 126.435 121.223 -0.031 0.000 2.334 273 L HA 0.500 4.840 4.340 0.001 0.000 0.276 273 L C -2.007 174.865 176.870 0.002 0.000 1.014 273 L CA -2.697 52.119 54.840 -0.040 0.000 0.815 273 L CB 1.402 43.463 42.059 0.003 0.000 1.268 273 L HN 0.352 nan 8.230 nan 0.000 0.428 274 P HA -0.107 nan 4.420 nan 0.000 0.266 274 P C -0.644 176.817 177.300 0.269 0.000 1.193 274 P CA 0.317 63.501 63.100 0.140 0.000 0.770 274 P CB 0.212 32.006 31.700 0.156 0.000 0.836 275 Y N -1.358 118.913 120.300 -0.050 0.000 4.604 275 Y HA -0.200 4.350 4.550 0.001 0.000 0.230 275 Y C 0.597 176.475 175.900 -0.038 0.000 1.066 275 Y CA 0.485 58.573 58.100 -0.019 0.000 1.990 275 Y CB -2.350 36.114 38.460 0.008 0.000 1.619 275 Y HN 0.321 nan 8.280 nan 0.000 0.649 276 I N 0.013 120.610 120.570 0.046 0.000 2.411 276 I HA 0.163 4.333 4.170 0.001 0.000 0.284 276 I C 1.119 177.226 176.117 -0.017 0.000 1.012 276 I CA -0.867 60.427 61.300 -0.011 0.000 1.119 276 I CB 1.688 39.660 38.000 -0.047 0.000 1.261 276 I HN -0.023 nan 8.210 nan 0.000 0.448 277 K N 3.417 123.808 120.400 -0.014 0.000 2.209 277 K HA -0.107 4.213 4.320 0.001 0.000 0.204 277 K C 0.828 177.424 176.600 -0.007 0.000 1.048 277 K CA 1.147 57.427 56.287 -0.012 0.000 0.940 277 K CB 0.192 32.691 32.500 -0.002 0.000 0.729 277 K HN 0.570 nan 8.250 nan 0.000 0.451 278 Q N 0.157 119.944 119.800 -0.022 0.000 2.712 278 Q HA 0.118 4.458 4.340 0.001 0.000 0.267 278 Q C -1.040 174.957 176.000 -0.006 0.000 1.062 278 Q CA -0.867 54.933 55.803 -0.005 0.000 0.888 278 Q CB 1.646 30.378 28.738 -0.011 0.000 1.374 278 Q HN -0.045 nan 8.270 nan 0.000 0.498 279 D N 0.280 120.695 120.400 0.026 0.000 2.437 279 D HA 0.498 5.139 4.640 0.001 0.000 0.259 279 D C -0.486 175.823 176.300 0.015 0.000 1.118 279 D CA -0.124 53.900 54.000 0.039 0.000 1.017 279 D CB 1.036 41.898 40.800 0.104 0.000 1.120 279 D HN 0.408 nan 8.370 nan 0.000 0.541 280 I N 1.038 121.626 120.570 0.030 0.000 2.607 280 I HA 0.168 4.338 4.170 0.001 0.000 0.290 280 I C -2.576 173.577 176.117 0.061 0.000 1.129 280 I CA -2.099 59.231 61.300 0.051 0.000 1.042 280 I CB 2.998 41.013 38.000 0.024 0.000 1.242 280 I HN -0.051 nan 8.210 nan 0.000 0.421 281 P HA 0.131 nan 4.420 nan 0.000 0.271 281 P C 1.243 178.590 177.300 0.078 0.000 1.233 281 P CA -0.118 63.021 63.100 0.065 0.000 0.764 281 P CB 0.640 32.382 31.700 0.070 0.000 0.825 282 I N 1.662 122.268 120.570 0.060 0.000 2.285 282 I HA -0.339 3.831 4.170 0.001 0.000 0.254 282 I C 1.392 177.559 176.117 0.083 0.000 1.093 282 I CA 1.654 62.965 61.300 0.018 0.000 1.368 282 I CB -1.370 36.657 38.000 0.046 0.000 1.054 282 I HN 0.007 nan 8.210 nan 0.000 0.435 283 V N 2.177 122.197 119.914 0.177 0.000 2.215 283 V HA -0.321 3.800 4.120 0.001 0.000 0.246 283 V C 2.615 178.828 176.094 0.200 0.000 1.047 283 V CA 2.640 65.083 62.300 0.238 0.000 0.999 283 V CB -0.857 31.070 31.823 0.173 0.000 0.635 283 V HN 0.454 nan 8.190 nan 0.000 0.450 284 I N -0.034 120.627 120.570 0.151 0.000 2.147 284 I HA -0.375 3.795 4.170 0.001 0.000 0.245 284 I C 2.390 178.573 176.117 0.111 0.000 1.059 284 I CA 2.234 63.621 61.300 0.144 0.000 1.320 284 I CB -0.602 37.513 38.000 0.192 0.000 1.021 284 I HN 0.304 nan 8.210 nan 0.000 0.415 285 I N 0.003 120.613 120.570 0.066 0.000 2.127 285 I HA -0.333 3.837 4.170 0.001 0.000 0.241 285 I C 2.535 178.648 176.117 -0.007 0.000 1.075 285 I CA 1.849 63.141 61.300 -0.014 0.000 1.334 285 I CB -0.540 37.415 38.000 -0.076 0.000 1.040 285 I HN 0.097 nan 8.210 nan 0.000 0.405 286 F N 0.809 120.772 119.950 0.022 0.000 2.161 286 F HA -0.222 4.305 4.527 0.001 0.000 0.300 286 F C 2.779 178.571 175.800 -0.013 0.000 1.089 286 F CA 1.078 59.071 58.000 -0.012 0.000 1.282 286 F CB -0.155 38.854 39.000 0.015 0.000 1.010 286 F HN -0.059 nan 8.300 nan 0.000 0.485 287 R N -0.334 120.294 120.500 0.213 0.000 2.153 287 R HA -0.013 4.327 4.340 0.001 0.000 0.218 287 R C 2.242 178.591 176.300 0.083 0.000 1.072 287 R CA 0.790 56.965 56.100 0.124 0.000 0.990 287 R CB -0.379 29.983 30.300 0.104 0.000 0.889 287 R HN 0.186 nan 8.270 nan 0.000 0.452 288 A N 0.648 123.509 122.820 0.069 0.000 2.119 288 A HA -0.026 4.295 4.320 0.001 0.000 0.217 288 A C 1.711 179.295 177.584 -0.001 0.000 1.153 288 A CA 0.830 52.883 52.037 0.027 0.000 0.692 288 A CB -0.137 18.867 19.000 0.007 0.000 0.799 288 A HN 0.193 nan 8.150 nan 0.000 0.458 289 L N -1.034 120.199 121.223 0.016 0.000 2.653 289 L HA 0.228 4.569 4.340 0.001 0.000 0.231 289 L C 1.388 178.275 176.870 0.029 0.000 1.153 289 L CA 0.448 55.287 54.840 -0.002 0.000 0.933 289 L CB -0.093 41.973 42.059 0.012 0.000 1.175 289 L HN 0.546 nan 8.230 nan 0.000 0.473 290 G N 1.219 110.042 108.800 0.039 0.000 2.160 290 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 290 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 290 G C 0.135 175.064 174.900 0.048 0.000 1.022 290 G CA -0.139 44.984 45.100 0.038 0.000 0.741 290 G HN 0.367 nan 8.290 nan 0.000 0.508 291 I N 0.781 121.386 120.570 0.059 0.000 2.905 291 I HA 0.299 4.469 4.170 0.001 0.000 0.297 291 I C 1.734 177.885 176.117 0.056 0.000 1.358 291 I CA -0.740 60.590 61.300 0.050 0.000 0.975 291 I CB 0.227 38.220 38.000 -0.012 0.000 1.857 291 I HN 0.089 nan 8.210 nan 0.000 0.612 292 I N 3.367 123.969 120.570 0.052 0.000 2.208 292 I HA -0.089 4.081 4.170 0.001 0.000 0.245 292 I C -1.013 175.132 176.117 0.048 0.000 1.097 292 I CA 0.917 62.247 61.300 0.050 0.000 1.363 292 I CB -1.004 37.018 38.000 0.038 0.000 1.051 292 I HN 0.329 nan 8.210 nan 0.000 0.413 293 P HA 0.121 nan 4.420 nan 0.000 0.285 293 P C -1.063 176.255 177.300 0.030 0.000 1.259 293 P CA -0.182 62.939 63.100 0.035 0.000 0.794 293 P CB 0.769 32.484 31.700 0.025 0.000 0.940 294 D N 1.432 121.857 120.400 0.041 0.000 2.349 294 D HA 0.130 4.771 4.640 0.001 0.000 0.239 294 D C 1.816 178.124 176.300 0.012 0.000 1.315 294 D CA 0.738 54.761 54.000 0.038 0.000 0.937 294 D CB -0.592 40.239 40.800 0.051 0.000 1.133 294 D HN 0.666 nan 8.370 nan 0.000 0.489 295 G N -0.082 108.721 108.800 0.004 0.000 2.826 295 G HA2 -0.493 3.468 3.960 0.001 0.000 0.235 295 G HA3 -0.493 3.468 3.960 0.001 0.000 0.235 295 G C 1.077 175.953 174.900 -0.039 0.000 1.159 295 G CA 1.091 46.183 45.100 -0.014 0.000 0.756 295 G HN 0.634 nan 8.290 nan 0.000 0.525 296 E N 0.336 120.514 120.200 -0.037 0.000 2.158 296 E HA 0.147 4.497 4.350 0.001 0.000 0.191 296 E C 2.629 179.172 176.600 -0.096 0.000 0.982 296 E CA 0.756 57.115 56.400 -0.069 0.000 0.823 296 E CB -0.140 29.548 29.700 -0.021 0.000 0.766 296 E HN 0.684 nan 8.360 nan 0.000 0.468 297 I N 0.918 121.445 120.570 -0.072 0.000 2.353 297 I HA -0.224 3.946 4.170 0.001 0.000 0.248 297 I C 2.009 178.033 176.117 -0.156 0.000 1.119 297 I CA 0.460 61.648 61.300 -0.187 0.000 1.417 297 I CB -0.042 37.877 38.000 -0.136 0.000 1.078 297 I HN 0.249 nan 8.210 nan 0.000 0.421 298 L N 0.301 121.487 121.223 -0.060 0.000 2.141 298 L HA -0.138 4.202 4.340 0.001 0.000 0.209 298 L C 2.387 179.261 176.870 0.006 0.000 1.094 298 L CA 1.580 56.416 54.840 -0.007 0.000 0.763 298 L CB -1.126 40.939 42.059 0.009 0.000 0.908 298 L HN 0.362 nan 8.230 nan 0.000 0.437 299 E N -0.638 119.523 120.200 -0.065 0.000 2.153 299 E HA -0.203 4.147 4.350 0.001 0.000 0.194 299 E C 1.904 178.481 176.600 -0.039 0.000 0.988 299 E CA 0.784 57.151 56.400 -0.056 0.000 0.811 299 E CB -0.037 29.562 29.700 -0.168 0.000 0.746 299 E HN 0.609 nan 8.360 nan 0.000 0.466 300 H N -0.422 118.580 119.070 -0.113 0.000 2.524 300 H HA 0.044 4.601 4.556 0.001 0.000 0.282 300 H C 1.895 177.363 175.328 0.234 0.000 1.016 300 H CA 0.752 56.676 56.048 -0.206 0.000 1.270 300 H CB 0.397 29.805 29.762 -0.589 0.000 1.394 300 H HN 0.219 nan 8.280 nan 0.000 0.568 301 I N -0.998 119.744 120.570 0.286 0.000 3.194 301 I HA -0.012 4.159 4.170 0.001 0.000 0.271 301 I C 0.817 176.933 176.117 -0.001 0.000 1.150 301 I CA 0.173 61.596 61.300 0.205 0.000 1.440 301 I CB 0.850 38.940 38.000 0.151 0.000 1.276 301 I HN 0.030 nan 8.210 nan 0.000 0.457 302 C N 1.245 120.595 119.300 0.084 0.000 2.273 302 C HA 0.312 4.772 4.460 0.001 0.000 0.328 302 C C 1.034 176.205 174.990 0.300 0.000 1.275 302 C CA -0.361 58.676 59.018 0.031 0.000 1.704 302 C CB -0.683 27.083 27.740 0.044 0.000 2.326 302 C HN 0.452 nan 8.230 nan 0.000 0.517 303 Y N 2.610 123.010 120.300 0.166 0.000 2.461 303 Y HA 0.247 4.798 4.550 0.001 0.000 0.277 303 Y C 1.009 177.000 175.900 0.151 0.000 1.182 303 Y CA -0.361 57.858 58.100 0.199 0.000 1.276 303 Y CB 0.260 38.888 38.460 0.279 0.000 1.087 303 Y HN 0.641 nan 8.280 nan 0.000 0.519 304 D N 0.150 120.693 120.400 0.239 0.000 2.763 304 D HA 0.145 4.785 4.640 0.001 0.000 0.235 304 D C 0.275 176.646 176.300 0.117 0.000 1.334 304 D CA -0.150 53.949 54.000 0.165 0.000 0.950 304 D CB 2.456 43.343 40.800 0.145 0.000 1.433 304 D HN -0.087 nan 8.370 nan 0.000 0.580 305 V N 3.125 123.092 119.914 0.089 0.000 3.305 305 V HA -0.034 4.086 4.120 0.001 0.000 0.269 305 V C 1.274 177.420 176.094 0.088 0.000 1.157 305 V CA 0.685 63.021 62.300 0.060 0.000 1.157 305 V CB -0.596 31.227 31.823 0.000 0.000 0.772 305 V HN 0.500 nan 8.190 nan 0.000 0.498 306 N N 0.964 119.728 118.700 0.108 0.000 2.451 306 N HA 0.081 4.821 4.740 0.001 0.000 0.264 306 N C 0.349 175.990 175.510 0.218 0.000 1.167 306 N CA 0.188 53.324 53.050 0.144 0.000 0.898 306 N CB 0.395 38.949 38.487 0.111 0.000 1.176 306 N HN 0.396 nan 8.380 nan 0.000 0.507 307 D N 0.234 120.755 120.400 0.203 0.000 2.720 307 D HA 0.009 4.649 4.640 0.001 0.000 0.285 307 D C 1.618 177.961 176.300 0.072 0.000 1.359 307 D CA -0.508 53.568 54.000 0.126 0.000 0.818 307 D CB 0.108 40.932 40.800 0.040 0.000 1.108 307 D HN 0.197 nan 8.370 nan 0.000 0.474 308 W N 1.154 122.457 121.300 0.004 0.000 2.169 308 W HA -0.387 4.274 4.660 0.001 0.000 0.340 308 W C 1.260 177.779 176.519 -0.001 0.000 1.416 308 W CA 1.021 58.366 57.345 -0.000 0.000 1.473 308 W CB -1.329 28.130 29.460 -0.002 0.000 1.071 308 W HN 0.145 nan 8.180 nan 0.000 0.487 309 Q N 0.567 119.938 119.800 -0.716 0.000 1.935 309 Q HA -0.309 4.031 4.340 0.001 0.000 0.212 309 Q C 2.509 178.347 176.000 -0.269 0.000 1.008 309 Q CA 2.895 58.297 55.803 -0.668 0.000 0.868 309 Q CB -0.986 27.284 28.738 -0.781 0.000 0.946 309 Q HN 0.551 nan 8.270 nan 0.000 0.418 310 M N 0.580 120.052 119.600 -0.213 0.000 2.089 310 M HA -0.241 4.239 4.480 0.001 0.000 0.257 310 M C 2.097 178.363 176.300 -0.056 0.000 1.071 310 M CA 1.574 56.804 55.300 -0.116 0.000 1.096 310 M CB -0.182 32.360 32.600 -0.097 0.000 1.330 310 M HN 0.211 nan 8.290 nan 0.000 0.403 311 L N 0.132 121.341 121.223 -0.024 0.000 1.956 311 L HA -0.277 4.063 4.340 0.001 0.000 0.216 311 L C 2.539 179.426 176.870 0.029 0.000 1.073 311 L CA 2.080 56.937 54.840 0.027 0.000 0.762 311 L CB -1.066 41.039 42.059 0.077 0.000 0.889 311 L HN 0.395 nan 8.230 nan 0.000 0.433 312 E N 0.314 120.539 120.200 0.042 0.000 2.068 312 E HA -0.312 4.039 4.350 0.001 0.000 0.207 312 E C 2.166 178.773 176.600 0.013 0.000 1.032 312 E CA 2.045 58.472 56.400 0.045 0.000 0.839 312 E CB -0.300 29.432 29.700 0.054 0.000 0.758 312 E HN 0.191 nan 8.360 nan 0.000 0.457 313 M N -0.428 119.161 119.600 -0.019 0.000 2.153 313 M HA -0.241 4.239 4.480 0.001 0.000 0.253 313 M C 2.357 178.658 176.300 0.002 0.000 1.081 313 M CA 1.526 56.814 55.300 -0.021 0.000 1.076 313 M CB -0.899 31.675 32.600 -0.044 0.000 1.350 313 M HN 0.265 nan 8.290 nan 0.000 0.401 314 L N -1.254 119.978 121.223 0.014 0.000 2.209 314 L HA -0.139 4.201 4.340 0.001 0.000 0.207 314 L C 2.423 179.313 176.870 0.033 0.000 1.094 314 L CA 0.539 55.399 54.840 0.033 0.000 0.790 314 L CB -0.552 41.533 42.059 0.043 0.000 0.932 314 L HN 0.253 nan 8.230 nan 0.000 0.447 315 K N 0.532 120.948 120.400 0.027 0.000 2.032 315 K HA -0.219 4.102 4.320 0.001 0.000 0.218 315 K C -0.354 176.255 176.600 0.015 0.000 1.054 315 K CA 2.284 58.583 56.287 0.020 0.000 0.941 315 K CB -1.324 31.186 32.500 0.017 0.000 0.720 315 K HN 0.283 nan 8.250 nan 0.000 0.449 316 P HA -0.204 nan 4.420 nan 0.000 0.219 316 P C 1.695 179.006 177.300 0.019 0.000 1.146 316 P CA 1.297 64.403 63.100 0.010 0.000 0.808 316 P CB -0.146 31.558 31.700 0.008 0.000 0.779 317 C N -0.053 119.265 119.300 0.030 0.000 2.496 317 C HA -0.098 4.362 4.460 0.001 0.000 0.281 317 C C 2.798 177.823 174.990 0.059 0.000 1.250 317 C CA 0.877 59.922 59.018 0.044 0.000 1.717 317 C CB -1.390 26.385 27.740 0.059 0.000 2.082 317 C HN 0.072 nan 8.230 nan 0.000 0.472 318 V N 1.335 121.289 119.914 0.066 0.000 2.250 318 V HA -0.305 3.815 4.120 0.001 0.000 0.253 318 V C 2.433 178.580 176.094 0.089 0.000 1.065 318 V CA 2.629 64.979 62.300 0.083 0.000 1.039 318 V CB -1.136 30.728 31.823 0.069 0.000 0.647 318 V HN 0.618 nan 8.190 nan 0.000 0.446 319 E N -0.562 119.667 120.200 0.048 0.000 2.352 319 E HA -0.324 4.027 4.350 0.001 0.000 0.203 319 E C 1.818 178.471 176.600 0.089 0.000 1.024 319 E CA 1.512 57.933 56.400 0.034 0.000 0.842 319 E CB -0.204 29.485 29.700 -0.018 0.000 0.753 319 E HN 0.715 nan 8.360 nan 0.000 0.508 320 D N -0.681 119.764 120.400 0.076 0.000 2.120 320 D HA -0.057 4.583 4.640 0.001 0.000 0.202 320 D C 1.975 178.323 176.300 0.079 0.000 0.972 320 D CA 1.348 55.385 54.000 0.062 0.000 0.837 320 D CB -0.230 40.591 40.800 0.035 0.000 0.989 320 D HN 0.162 nan 8.370 nan 0.000 0.469 321 G N -0.774 108.086 108.800 0.100 0.000 2.650 321 G HA2 -0.209 3.751 3.960 0.001 0.000 0.214 321 G HA3 -0.209 3.751 3.960 0.001 0.000 0.214 321 G C 1.243 176.198 174.900 0.092 0.000 1.136 321 G CA 0.029 45.180 45.100 0.086 0.000 0.789 321 G HN 0.312 nan 8.290 nan 0.000 0.536 322 F N 1.924 121.873 119.950 -0.002 0.000 2.286 322 F HA -0.213 4.314 4.527 0.001 0.000 0.301 322 F C 2.093 177.882 175.800 -0.018 0.000 1.043 322 F CA 1.252 59.249 58.000 -0.005 0.000 1.380 322 F CB 0.118 39.114 39.000 -0.007 0.000 1.087 322 F HN 0.051 nan 8.300 nan 0.000 0.537 323 V N 0.023 119.826 119.914 -0.185 0.000 3.306 323 V HA -0.003 4.117 4.120 0.001 0.000 0.264 323 V C 1.237 177.188 176.094 -0.238 0.000 1.149 323 V CA 0.481 62.612 62.300 -0.282 0.000 1.143 323 V CB -0.628 31.086 31.823 -0.182 0.000 0.767 323 V HN 0.102 nan 8.190 nan 0.000 0.476 324 I N -0.021 120.454 120.570 -0.158 0.000 2.707 324 I HA 0.458 4.628 4.170 0.001 0.000 0.309 324 I C 0.487 176.555 176.117 -0.082 0.000 1.001 324 I CA -0.218 61.027 61.300 -0.091 0.000 1.129 324 I CB 2.025 40.015 38.000 -0.016 0.000 1.308 324 I HN 0.027 nan 8.210 nan 0.000 0.466 325 Q N 2.573 122.343 119.800 -0.050 0.000 1.820 325 Q HA 0.139 4.479 4.340 0.001 0.000 0.179 325 Q C -1.908 174.089 176.000 -0.005 0.000 0.798 325 Q CA -0.191 55.593 55.803 -0.032 0.000 0.887 325 Q CB 0.487 29.181 28.738 -0.072 0.000 1.240 325 Q HN 0.762 nan 8.270 nan 0.000 0.394 326 D N -2.658 117.747 120.400 0.007 0.000 2.706 326 D HA 0.133 4.773 4.640 0.001 0.000 0.227 326 D C 0.120 176.436 176.300 0.027 0.000 1.233 326 D CA -0.660 53.350 54.000 0.016 0.000 0.768 326 D CB 0.500 41.304 40.800 0.007 0.000 1.490 326 D HN -0.005 nan 8.370 nan 0.000 0.458 327 R N 0.715 121.233 120.500 0.029 0.000 2.153 327 R HA -0.227 4.114 4.340 0.001 0.000 0.252 327 R C 1.325 177.644 176.300 0.032 0.000 1.158 327 R CA 2.196 58.315 56.100 0.032 0.000 0.975 327 R CB 0.073 30.390 30.300 0.027 0.000 0.871 327 R HN 0.619 nan 8.270 nan 0.000 0.450 328 E N -0.971 119.245 120.200 0.027 0.000 2.000 328 E HA -0.182 4.169 4.350 0.001 0.000 0.199 328 E C 1.929 178.552 176.600 0.038 0.000 1.011 328 E CA 2.150 58.568 56.400 0.029 0.000 0.836 328 E CB -0.227 29.486 29.700 0.022 0.000 0.778 328 E HN 0.381 nan 8.360 nan 0.000 0.462 329 T N 1.395 115.969 114.554 0.034 0.000 2.737 329 T HA -0.228 4.122 4.350 0.001 0.000 0.269 329 T C 1.914 176.660 174.700 0.077 0.000 1.040 329 T CA 1.216 63.343 62.100 0.045 0.000 1.142 329 T CB -0.421 68.457 68.868 0.016 0.000 0.861 329 T HN 0.303 nan 8.240 nan 0.000 0.456 330 A N 1.730 124.590 122.820 0.067 0.000 1.859 330 A HA -0.139 4.181 4.320 0.001 0.000 0.218 330 A C 2.193 179.833 177.584 0.094 0.000 1.209 330 A CA 1.800 53.890 52.037 0.088 0.000 0.639 330 A CB -1.071 17.969 19.000 0.067 0.000 0.835 330 A HN 0.397 nan 8.150 nan 0.000 0.450 331 L N -0.057 121.203 121.223 0.061 0.000 2.191 331 L HA -0.139 4.201 4.340 0.001 0.000 0.212 331 L C 2.089 178.993 176.870 0.056 0.000 1.103 331 L CA 2.091 56.955 54.840 0.041 0.000 0.769 331 L CB -0.873 41.202 42.059 0.027 0.000 0.908 331 L HN 0.605 nan 8.230 nan 0.000 0.438 332 D N -0.198 120.252 120.400 0.084 0.000 2.103 332 D HA -0.303 4.337 4.640 0.001 0.000 0.190 332 D C 1.251 177.637 176.300 0.143 0.000 0.997 332 D CA 0.932 54.994 54.000 0.103 0.000 0.833 332 D CB -0.155 40.708 40.800 0.105 0.000 0.961 332 D HN 0.165 nan 8.370 nan 0.000 0.447 333 F N 0.951 120.911 119.950 0.017 0.000 2.591 333 F HA 0.261 4.788 4.527 0.001 0.000 0.378 333 F C -0.364 175.446 175.800 0.016 0.000 1.181 333 F CA 0.164 58.174 58.000 0.017 0.000 1.340 333 F CB -0.616 38.391 39.000 0.011 0.000 1.749 333 F HN 0.041 nan 8.300 nan 0.000 0.662 334 I N 2.125 122.573 120.570 -0.204 0.000 2.850 334 I HA 0.283 4.453 4.170 0.001 0.000 0.282 334 I C 0.156 176.201 176.117 -0.120 0.000 1.629 334 I CA -0.332 60.821 61.300 -0.245 0.000 0.792 334 I CB 0.327 38.232 38.000 -0.158 0.000 1.776 334 I HN 0.339 nan 8.210 nan 0.000 0.578 346 E N 0.126 120.350 120.200 0.040 0.000 5.080 346 E HA -0.421 3.929 4.350 0.001 0.000 0.168 346 E C 1.242 177.868 176.600 0.042 0.000 1.286 346 E CA 2.442 58.864 56.400 0.037 0.000 2.223 346 E CB -0.961 28.756 29.700 0.028 0.000 1.857 346 E HN 0.654 nan 8.360 nan 0.000 0.388 347 K N 1.253 121.677 120.400 0.039 0.000 2.002 347 K HA -0.166 4.155 4.320 0.001 0.000 0.209 347 K C 2.173 178.813 176.600 0.067 0.000 1.048 347 K CA 1.947 58.257 56.287 0.037 0.000 0.930 347 K CB -0.460 32.052 32.500 0.020 0.000 0.714 347 K HN 0.326 nan 8.250 nan 0.000 0.438 348 R N 1.226 121.777 120.500 0.085 0.000 2.120 348 R HA -0.003 4.337 4.340 0.001 0.000 0.234 348 R C 2.329 178.712 176.300 0.138 0.000 1.123 348 R CA 1.454 57.640 56.100 0.143 0.000 0.975 348 R CB -0.942 29.436 30.300 0.130 0.000 0.866 348 R HN 0.196 nan 8.270 nan 0.000 0.446 349 I N 1.082 121.708 120.570 0.092 0.000 2.423 349 I HA -0.262 3.908 4.170 0.001 0.000 0.254 349 I C 2.512 178.676 176.117 0.078 0.000 1.151 349 I CA 1.276 62.620 61.300 0.074 0.000 1.421 349 I CB -0.265 37.768 38.000 0.056 0.000 1.079 349 I HN 0.262 nan 8.210 nan 0.000 0.431 350 Q N 0.200 120.058 119.800 0.096 0.000 2.061 350 Q HA -0.199 4.141 4.340 0.001 0.000 0.195 350 Q C 2.120 178.210 176.000 0.150 0.000 0.967 350 Q CA 1.369 57.231 55.803 0.097 0.000 0.829 350 Q CB -0.549 28.238 28.738 0.082 0.000 0.900 350 Q HN 0.430 nan 8.270 nan 0.000 0.450 351 Y N 0.708 121.018 120.300 0.017 0.000 2.133 351 Y HA -0.362 4.188 4.550 0.001 0.000 0.279 351 Y C 1.903 177.812 175.900 0.015 0.000 1.209 351 Y CA 1.884 59.995 58.100 0.017 0.000 1.152 351 Y CB -1.044 37.430 38.460 0.023 0.000 0.961 351 Y HN 0.187 nan 8.280 nan 0.000 0.512 352 A N 0.067 122.894 122.820 0.012 0.000 1.845 352 A HA -0.208 4.112 4.320 0.001 0.000 0.215 352 A C 2.356 179.915 177.584 -0.041 0.000 1.195 352 A CA 1.914 53.893 52.037 -0.097 0.000 0.616 352 A CB -0.757 18.213 19.000 -0.050 0.000 0.832 352 A HN 0.484 nan 8.150 nan 0.000 0.443 353 K N -0.290 120.115 120.400 0.007 0.000 2.049 353 K HA -0.261 4.059 4.320 0.001 0.000 0.219 353 K C 1.776 178.383 176.600 0.012 0.000 1.056 353 K CA 2.068 58.362 56.287 0.012 0.000 0.946 353 K CB -0.525 31.993 32.500 0.030 0.000 0.723 353 K HN 0.552 nan 8.250 nan 0.000 0.453 354 D N 0.640 121.059 120.400 0.032 0.000 2.108 354 D HA -0.199 4.441 4.640 0.001 0.000 0.190 354 D C 2.023 178.327 176.300 0.007 0.000 0.995 354 D CA 1.506 55.526 54.000 0.034 0.000 0.834 354 D CB -0.437 40.404 40.800 0.068 0.000 0.967 354 D HN 0.241 nan 8.370 nan 0.000 0.446 355 I N 0.876 121.425 120.570 -0.034 0.000 2.300 355 I HA -0.268 3.903 4.170 0.001 0.000 0.252 355 I C 2.340 178.469 176.117 0.020 0.000 1.119 355 I CA 0.835 62.094 61.300 -0.069 0.000 1.384 355 I CB -0.224 37.660 38.000 -0.194 0.000 1.062 355 I HN 0.002 nan 8.210 nan 0.000 0.426 356 L N -0.450 120.781 121.223 0.012 0.000 2.554 356 L HA -0.075 4.266 4.340 0.001 0.000 0.226 356 L C 2.240 179.125 176.870 0.025 0.000 1.137 356 L CA 0.569 55.420 54.840 0.019 0.000 0.863 356 L CB -0.166 41.845 42.059 -0.080 0.000 0.985 356 L HN 0.327 nan 8.230 nan 0.000 0.451 357 Q N -0.765 119.057 119.800 0.036 0.000 2.499 357 Q HA 0.019 4.360 4.340 0.001 0.000 0.213 357 Q C 1.674 177.704 176.000 0.050 0.000 0.929 357 Q CA 0.442 56.268 55.803 0.038 0.000 0.904 357 Q CB 0.449 29.205 28.738 0.029 0.000 1.052 357 Q HN 0.289 nan 8.270 nan 0.000 0.589 358 K N -0.049 120.380 120.400 0.048 0.000 2.352 358 K HA 0.052 4.372 4.320 0.001 0.000 0.194 358 K C 1.246 177.905 176.600 0.098 0.000 1.038 358 K CA 0.509 56.831 56.287 0.058 0.000 1.023 358 K CB 0.634 33.163 32.500 0.048 0.000 0.840 358 K HN 0.071 nan 8.250 nan 0.000 0.519 359 E N -0.134 120.113 120.200 0.079 0.000 2.332 359 E HA 0.053 4.403 4.350 0.001 0.000 0.202 359 E C -0.001 176.673 176.600 0.123 0.000 0.877 359 E CA -0.136 56.305 56.400 0.069 0.000 0.979 359 E CB 0.189 29.852 29.700 -0.062 0.000 0.969 359 E HN 0.080 nan 8.360 nan 0.000 0.495 360 F N 2.719 122.674 119.950 0.008 0.000 2.504 360 F HA 0.089 4.616 4.527 0.001 0.000 0.369 360 F C 0.867 176.696 175.800 0.049 0.000 1.082 360 F CA -0.629 57.385 58.000 0.024 0.000 1.216 360 F CB 0.499 39.503 39.000 0.006 0.000 1.108 360 F HN -0.109 nan 8.300 nan 0.000 0.554 361 L N 8.996 130.178 121.223 -0.068 0.000 3.941 361 L HA -0.236 4.105 4.340 0.001 0.000 0.455 361 L C -1.536 175.448 176.870 0.191 0.000 1.179 361 L CA 0.216 55.132 54.840 0.126 0.000 0.782 361 L CB -1.097 41.134 42.059 0.287 0.000 1.679 361 L HN 0.585 nan 8.230 nan 0.000 0.871 362 P HA -0.234 nan 4.420 nan 0.000 0.218 362 P C 0.728 178.089 177.300 0.100 0.000 1.147 362 P CA 2.068 65.249 63.100 0.134 0.000 0.827 362 P CB -0.515 31.286 31.700 0.170 0.000 0.778 363 H N -1.352 117.712 119.070 -0.009 0.000 2.548 363 H HA 0.263 4.820 4.556 0.001 0.000 0.366 363 H C 1.586 176.862 175.328 -0.087 0.000 1.433 363 H CA -0.310 55.713 56.048 -0.041 0.000 1.443 363 H CB 0.660 30.400 29.762 -0.037 0.000 1.594 363 H HN -0.029 nan 8.280 nan 0.000 0.608 364 I N -1.971 118.381 120.570 -0.363 0.000 4.751 364 I HA -0.343 3.827 4.170 0.001 0.000 0.041 364 I C -0.187 175.743 176.117 -0.312 0.000 0.631 364 I CA 1.599 62.650 61.300 -0.415 0.000 0.678 364 I CB -1.257 36.405 38.000 -0.564 0.000 0.640 364 I HN 0.828 nan 8.210 nan 0.000 0.154 365 T N -0.528 113.850 114.554 -0.292 0.000 3.013 365 T HA 0.253 4.603 4.350 0.001 0.000 0.359 365 T C -0.850 173.742 174.700 -0.180 0.000 1.845 365 T CA -0.320 61.593 62.100 -0.311 0.000 1.075 365 T CB 1.555 70.018 68.868 -0.674 0.000 1.727 365 T HN 0.391 nan 8.240 nan 0.000 0.503 366 Q N 1.296 121.019 119.800 -0.129 0.000 2.164 366 Q HA 0.379 4.720 4.340 0.001 0.000 0.226 366 Q C 1.457 177.437 176.000 -0.032 0.000 0.813 366 Q CA -0.202 55.572 55.803 -0.049 0.000 0.978 366 Q CB 0.615 29.335 28.738 -0.031 0.000 1.149 366 Q HN 0.534 nan 8.270 nan 0.000 0.489 367 L N 0.666 121.851 121.223 -0.063 0.000 1.953 367 L HA -0.203 4.138 4.340 0.001 0.000 0.246 367 L C 1.580 178.491 176.870 0.068 0.000 1.050 367 L CA 1.643 56.484 54.840 0.003 0.000 1.041 367 L CB -0.291 41.772 42.059 0.008 0.000 0.983 367 L HN 0.219 nan 8.230 nan 0.000 0.478 368 E N -1.607 118.690 120.200 0.162 0.000 3.688 368 E HA 0.102 4.452 4.350 0.001 0.000 0.217 368 E C 1.104 177.837 176.600 0.221 0.000 1.289 368 E CA 0.347 56.837 56.400 0.151 0.000 1.408 368 E CB 0.102 29.859 29.700 0.096 0.000 2.370 368 E HN 0.484 nan 8.360 nan 0.000 0.584 369 G N 0.906 109.817 108.800 0.185 0.000 2.946 369 G HA2 -0.043 3.917 3.960 0.001 0.000 0.246 369 G HA3 -0.043 3.917 3.960 0.001 0.000 0.246 369 G C -0.286 174.501 174.900 -0.189 0.000 0.822 369 G CA 0.604 45.709 45.100 0.009 0.000 1.943 369 G HN 0.092 nan 8.290 nan 0.000 0.580 370 F N -1.071 118.876 119.950 -0.005 0.000 2.837 370 F HA 0.260 4.787 4.527 0.001 0.000 0.328 370 F C 1.367 177.168 175.800 0.002 0.000 1.173 370 F CA -0.589 57.409 58.000 -0.003 0.000 1.160 370 F CB 0.728 39.722 39.000 -0.010 0.000 1.115 370 F HN 0.087 nan 8.300 nan 0.000 0.512 371 E N 0.450 120.716 120.200 0.110 0.000 2.147 371 E HA -0.220 4.130 4.350 0.001 0.000 0.199 371 E C 2.323 178.976 176.600 0.087 0.000 1.005 371 E CA 1.951 58.385 56.400 0.058 0.000 0.810 371 E CB -0.478 29.236 29.700 0.023 0.000 0.736 371 E HN 0.379 nan 8.360 nan 0.000 0.460 372 S N -0.144 115.618 115.700 0.103 0.000 2.406 372 S HA -0.088 4.382 4.470 0.001 0.000 0.228 372 S C 2.038 176.805 174.600 0.277 0.000 1.020 372 S CA 0.834 59.143 58.200 0.183 0.000 0.965 372 S CB -0.105 63.184 63.200 0.148 0.000 0.798 372 S HN 0.097 nan 8.310 nan 0.000 0.488 373 R N 1.210 121.835 120.500 0.208 0.000 2.092 373 R HA 0.122 4.463 4.340 0.001 0.000 0.231 373 R C 2.425 178.903 176.300 0.298 0.000 1.119 373 R CA 1.280 57.512 56.100 0.220 0.000 0.970 373 R CB -0.101 30.356 30.300 0.262 0.000 0.864 373 R HN 0.422 nan 8.270 nan 0.000 0.440 374 K N -0.358 120.187 120.400 0.243 0.000 2.103 374 K HA -0.036 4.285 4.320 0.001 0.000 0.204 374 K C 2.041 178.863 176.600 0.370 0.000 1.052 374 K CA 1.109 57.551 56.287 0.258 0.000 0.945 374 K CB -0.048 32.505 32.500 0.089 0.000 0.722 374 K HN 0.134 nan 8.250 nan 0.000 0.443 375 A N 1.075 124.067 122.820 0.286 0.000 1.865 375 A HA -0.183 4.138 4.320 0.001 0.000 0.217 375 A C 1.895 179.772 177.584 0.488 0.000 1.191 375 A CA 1.445 53.691 52.037 0.348 0.000 0.623 375 A CB -0.927 18.128 19.000 0.091 0.000 0.826 375 A HN 0.241 nan 8.150 nan 0.000 0.444 376 F N -1.947 118.239 119.950 0.394 0.000 2.373 376 F HA -0.106 4.422 4.527 0.001 0.000 0.300 376 F C 1.841 178.181 175.800 0.900 0.000 1.080 376 F CA 1.237 59.589 58.000 0.586 0.000 1.417 376 F CB -0.294 38.850 39.000 0.240 0.000 1.070 376 F HN 0.326 nan 8.300 nan 0.000 0.546 377 F N -0.526 119.876 119.950 0.754 0.000 2.164 377 F HA -0.045 4.482 4.527 0.001 0.000 0.287 377 F C 2.196 178.320 175.800 0.540 0.000 1.086 377 F CA 0.680 59.090 58.000 0.682 0.000 1.249 377 F CB -0.738 38.583 39.000 0.535 0.000 1.059 377 F HN -0.133 nan 8.300 nan 0.000 0.490 378 L N 0.616 122.207 121.223 0.613 0.000 2.189 378 L HA -0.076 4.265 4.340 0.001 0.000 0.214 378 L C 2.075 179.135 176.870 0.317 0.000 1.097 378 L CA 2.254 57.308 54.840 0.357 0.000 0.764 378 L CB -1.621 40.559 42.059 0.201 0.000 0.900 378 L HN 0.202 nan 8.230 nan 0.000 0.436 379 G N -1.913 107.213 108.800 0.543 0.000 2.408 379 G HA2 -0.325 3.635 3.960 0.001 0.000 0.215 379 G HA3 -0.325 3.635 3.960 0.001 0.000 0.215 379 G C 1.488 176.634 174.900 0.410 0.000 1.156 379 G CA 0.624 46.068 45.100 0.574 0.000 0.793 379 G HN 0.533 nan 8.290 nan 0.000 0.535 380 Y N 0.886 121.341 120.300 0.258 0.000 2.421 380 Y HA 0.092 4.642 4.550 0.001 0.000 0.292 380 Y C 2.566 178.385 175.900 -0.136 0.000 1.136 380 Y CA 1.036 59.141 58.100 0.009 0.000 1.255 380 Y CB -0.050 38.244 38.460 -0.276 0.000 0.991 380 Y HN 0.151 nan 8.280 nan 0.000 0.552 381 M N -0.987 118.480 119.600 -0.222 0.000 2.171 381 M HA -0.085 4.395 4.480 0.001 0.000 0.260 381 M C 2.089 178.272 176.300 -0.195 0.000 1.087 381 M CA 1.422 56.537 55.300 -0.309 0.000 1.154 381 M CB -0.324 32.181 32.600 -0.159 0.000 1.331 381 M HN 0.112 nan 8.290 nan 0.000 0.431 382 I N 0.773 121.313 120.570 -0.049 0.000 2.381 382 I HA -0.354 3.816 4.170 0.001 0.000 0.255 382 I C 2.011 178.092 176.117 -0.060 0.000 1.140 382 I CA 1.259 62.553 61.300 -0.010 0.000 1.404 382 I CB -0.851 37.205 38.000 0.095 0.000 1.075 382 I HN 0.440 nan 8.210 nan 0.000 0.433 383 N N 1.192 119.830 118.700 -0.104 0.000 2.025 383 N HA -0.180 4.560 4.740 0.001 0.000 0.194 383 N C 2.000 177.386 175.510 -0.207 0.000 1.069 383 N CA 1.408 54.356 53.050 -0.169 0.000 0.855 383 N CB -0.039 38.313 38.487 -0.224 0.000 1.054 383 N HN -0.012 nan 8.380 nan 0.000 0.427 384 R N 0.224 120.526 120.500 -0.331 0.000 2.189 384 R HA -0.224 4.116 4.340 0.001 0.000 0.252 384 R C 2.215 178.397 176.300 -0.197 0.000 1.134 384 R CA 1.483 57.394 56.100 -0.317 0.000 0.954 384 R CB -1.655 28.355 30.300 -0.483 0.000 0.890 384 R HN 0.440 nan 8.270 nan 0.000 0.443 385 L N 1.142 122.260 121.223 -0.176 0.000 1.976 385 L HA -0.241 4.099 4.340 0.001 0.000 0.223 385 L C 2.418 179.262 176.870 -0.042 0.000 1.081 385 L CA 1.874 56.659 54.840 -0.092 0.000 0.784 385 L CB -0.629 41.390 42.059 -0.067 0.000 0.896 385 L HN 0.150 nan 8.230 nan 0.000 0.438 386 L N -1.566 119.621 121.223 -0.061 0.000 1.989 386 L HA -0.266 4.075 4.340 0.001 0.000 0.211 386 L C 2.548 179.387 176.870 -0.053 0.000 1.071 386 L CA 1.239 56.046 54.840 -0.055 0.000 0.749 386 L CB -0.825 41.194 42.059 -0.068 0.000 0.890 386 L HN 0.281 nan 8.230 nan 0.000 0.431 387 L N -0.399 120.778 121.223 -0.077 0.000 2.171 387 L HA -0.345 3.995 4.340 0.001 0.000 0.216 387 L C 2.706 179.554 176.870 -0.037 0.000 1.084 387 L CA 1.770 56.569 54.840 -0.068 0.000 0.771 387 L CB -0.921 41.086 42.059 -0.086 0.000 0.890 387 L HN 0.494 nan 8.230 nan 0.000 0.437 388 C N -1.266 118.026 119.300 -0.012 0.000 2.544 388 C HA 0.088 4.548 4.460 0.001 0.000 0.280 388 C C 2.999 178.059 174.990 0.118 0.000 1.295 388 C CA 0.411 59.452 59.018 0.037 0.000 1.702 388 C CB -0.996 26.765 27.740 0.035 0.000 2.090 388 C HN 0.572 nan 8.230 nan 0.000 0.493 389 A N 0.340 123.252 122.820 0.154 0.000 2.139 389 A HA -0.002 4.318 4.320 0.001 0.000 0.221 389 A C 1.623 179.199 177.584 -0.014 0.000 1.159 389 A CA 1.430 53.489 52.037 0.037 0.000 0.662 389 A CB -0.636 18.268 19.000 -0.159 0.000 0.796 389 A HN 0.739 nan 8.150 nan 0.000 0.463 390 L N -0.763 120.448 121.223 -0.021 0.000 2.928 390 L HA 0.177 4.517 4.340 0.001 0.000 0.246 390 L C -0.733 176.119 176.870 -0.031 0.000 1.239 390 L CA -0.387 54.421 54.840 -0.053 0.000 1.035 390 L CB -0.584 41.419 42.059 -0.093 0.000 1.360 390 L HN 0.185 nan 8.230 nan 0.000 0.529 391 D N 1.304 121.707 120.400 0.005 0.000 2.810 391 D HA -0.214 4.426 4.640 0.001 0.000 0.224 391 D C 1.127 177.422 176.300 -0.008 0.000 1.222 391 D CA 0.681 54.685 54.000 0.008 0.000 0.698 391 D CB -0.291 40.514 40.800 0.008 0.000 0.961 391 D HN 0.398 nan 8.370 nan 0.000 0.403 392 R N -0.244 120.248 120.500 -0.013 0.000 2.310 392 R HA 0.165 4.505 4.340 0.001 0.000 0.199 392 R C 0.331 176.625 176.300 -0.011 0.000 0.891 392 R CA 0.081 56.172 56.100 -0.016 0.000 1.060 392 R CB 0.657 30.940 30.300 -0.028 0.000 1.188 392 R HN -0.075 nan 8.270 nan 0.000 0.607 393 K N 1.546 121.937 120.400 -0.015 0.000 2.397 393 K HA 0.231 4.552 4.320 0.001 0.000 0.253 393 K C -1.110 175.480 176.600 -0.015 0.000 0.932 393 K CA -0.499 55.778 56.287 -0.017 0.000 0.795 393 K CB 2.044 34.523 32.500 -0.034 0.000 1.159 393 K HN 0.001 nan 8.250 nan 0.000 0.424 394 D N 1.620 122.017 120.400 -0.005 0.000 2.346 394 D HA -0.093 4.548 4.640 0.001 0.000 0.236 394 D C 0.604 176.898 176.300 -0.010 0.000 1.259 394 D CA 0.441 54.441 54.000 -0.001 0.000 0.898 394 D CB 0.803 41.613 40.800 0.017 0.000 1.178 394 D HN 0.357 nan 8.370 nan 0.000 0.457 395 Q N 0.273 120.072 119.800 -0.001 0.000 2.443 395 Q HA 0.002 4.342 4.340 0.001 0.000 0.232 395 Q C -0.536 175.508 176.000 0.073 0.000 1.026 395 Q CA -0.272 55.544 55.803 0.022 0.000 0.924 395 Q CB 0.766 29.527 28.738 0.038 0.000 1.256 395 Q HN 0.280 nan 8.270 nan 0.000 0.519 396 D N 1.567 122.048 120.400 0.135 0.000 2.302 396 D HA 0.026 4.666 4.640 0.001 0.000 0.248 396 D C -0.957 175.493 176.300 0.250 0.000 1.094 396 D CA 0.093 54.185 54.000 0.154 0.000 0.897 396 D CB 0.874 41.700 40.800 0.043 0.000 1.200 396 D HN 0.496 nan 8.370 nan 0.000 0.429 397 D N 2.366 122.862 120.400 0.161 0.000 2.316 397 D HA 0.041 4.682 4.640 0.001 0.000 0.245 397 D C 0.793 177.153 176.300 0.101 0.000 1.171 397 D CA -0.262 53.811 54.000 0.122 0.000 0.856 397 D CB 0.635 41.516 40.800 0.135 0.000 1.090 397 D HN 0.270 nan 8.370 nan 0.000 0.476 398 R N 2.185 122.718 120.500 0.054 0.000 2.339 398 R HA -0.021 4.320 4.340 0.001 0.000 0.199 398 R C -0.073 176.216 176.300 -0.018 0.000 1.018 398 R CA 0.645 56.762 56.100 0.030 0.000 1.036 398 R CB 0.388 30.655 30.300 -0.056 0.000 0.899 398 R HN 0.424 nan 8.270 nan 0.000 0.473 399 D N -0.552 119.794 120.400 -0.090 0.000 2.696 399 D HA -0.003 4.638 4.640 0.001 0.000 0.269 399 D C -0.464 175.543 176.300 -0.489 0.000 1.319 399 D CA -0.105 53.772 54.000 -0.205 0.000 0.826 399 D CB 0.230 40.918 40.800 -0.186 0.000 1.086 399 D HN 0.103 nan 8.370 nan 0.000 0.481 400 H N 1.153 120.013 119.070 -0.350 0.000 2.969 400 H HA 0.035 4.591 4.556 0.001 0.000 0.269 400 H C 0.899 176.191 175.328 -0.060 0.000 1.223 400 H CA -0.675 55.205 56.048 -0.280 0.000 1.400 400 H CB -0.096 29.607 29.762 -0.099 0.000 1.500 400 H HN -0.069 nan 8.280 nan 0.000 0.486 401 F N 3.860 123.778 119.950 -0.054 0.000 2.127 401 F HA -0.262 4.266 4.527 0.001 0.000 0.299 401 F C 2.371 178.239 175.800 0.113 0.000 1.068 401 F CA 2.163 60.187 58.000 0.039 0.000 1.263 401 F CB -0.673 38.363 39.000 0.060 0.000 1.016 401 F HN 0.704 nan 8.300 nan 0.000 0.491 402 G N -0.908 108.088 108.800 0.327 0.000 2.479 402 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 402 G HA3 -0.264 3.696 3.960 0.001 0.000 0.220 402 G C 1.449 176.282 174.900 -0.110 0.000 1.115 402 G CA 0.660 45.807 45.100 0.079 0.000 0.757 402 G HN 0.375 nan 8.290 nan 0.000 0.560 403 K N 0.225 120.563 120.400 -0.103 0.000 2.576 403 K HA 0.196 4.516 4.320 0.001 0.000 0.209 403 K C -0.150 176.363 176.600 -0.145 0.000 1.049 403 K CA -0.044 56.153 56.287 -0.151 0.000 1.140 403 K CB 0.528 32.959 32.500 -0.116 0.000 0.871 403 K HN 0.070 nan 8.250 nan 0.000 0.479 404 K N 1.408 121.680 120.400 -0.212 0.000 2.324 404 K HA 0.393 4.714 4.320 0.001 0.000 0.253 404 K C -0.416 175.996 176.600 -0.312 0.000 0.932 404 K CA -0.872 55.263 56.287 -0.252 0.000 0.799 404 K CB 2.091 34.386 32.500 -0.342 0.000 1.154 404 K HN -0.127 nan 8.250 nan 0.000 0.425 405 R N 2.625 122.998 120.500 -0.213 0.000 2.439 405 R HA 0.381 4.721 4.340 0.001 0.000 0.310 405 R C -0.224 175.998 176.300 -0.130 0.000 0.955 405 R CA -0.662 55.332 56.100 -0.177 0.000 0.853 405 R CB 0.946 31.168 30.300 -0.129 0.000 1.171 405 R HN 0.550 nan 8.270 nan 0.000 0.449 406 L N 3.807 124.955 121.223 -0.125 0.000 2.389 406 L HA 0.185 4.526 4.340 0.001 0.000 0.265 406 L C 0.000 176.844 176.870 -0.044 0.000 1.167 406 L CA -0.491 54.304 54.840 -0.075 0.000 1.045 406 L CB 0.110 42.130 42.059 -0.064 0.000 1.351 406 L HN 0.290 nan 8.230 nan 0.000 0.419 407 D N 2.037 122.417 120.400 -0.034 0.000 2.525 407 D HA 0.108 4.749 4.640 0.001 0.000 0.235 407 D C 0.018 176.309 176.300 -0.015 0.000 1.137 407 D CA 0.564 54.558 54.000 -0.009 0.000 0.868 407 D CB 1.907 42.708 40.800 0.001 0.000 1.180 407 D HN 0.127 nan 8.370 nan 0.000 0.465 408 L N 1.291 122.521 121.223 0.011 0.000 2.216 408 L HA 0.481 4.822 4.340 0.001 0.000 0.260 408 L C 1.514 178.401 176.870 0.028 0.000 1.036 408 L CA -0.436 54.407 54.840 0.007 0.000 0.914 408 L CB 0.703 42.775 42.059 0.021 0.000 1.501 408 L HN 0.385 nan 8.230 nan 0.000 0.485 409 A N 0.192 123.033 122.820 0.035 0.000 1.929 409 A HA -0.196 4.124 4.320 0.001 0.000 0.221 409 A C 1.760 179.393 177.584 0.081 0.000 1.211 409 A CA 2.537 54.609 52.037 0.059 0.000 0.657 409 A CB -1.714 17.365 19.000 0.133 0.000 0.827 409 A HN 0.905 nan 8.150 nan 0.000 0.462 410 G N -0.506 108.369 108.800 0.125 0.000 2.705 410 G HA2 -0.072 3.888 3.960 0.001 0.000 0.214 410 G HA3 -0.072 3.888 3.960 0.001 0.000 0.214 410 G C -0.238 174.684 174.900 0.036 0.000 1.321 410 G CA 1.117 46.278 45.100 0.101 0.000 0.826 410 G HN 0.424 nan 8.290 nan 0.000 0.595 411 P HA -0.182 nan 4.420 nan 0.000 0.224 411 P C 2.003 179.384 177.300 0.136 0.000 1.154 411 P CA 1.120 64.307 63.100 0.144 0.000 0.868 411 P CB -0.129 31.637 31.700 0.110 0.000 0.782 412 L N -1.952 119.350 121.223 0.131 0.000 1.976 412 L HA -0.179 4.161 4.340 0.001 0.000 0.209 412 L C 2.536 179.503 176.870 0.162 0.000 1.071 412 L CA 1.455 56.471 54.840 0.293 0.000 0.746 412 L CB -1.082 41.196 42.059 0.365 0.000 0.890 412 L HN -0.044 nan 8.230 nan 0.000 0.432 413 L N -0.427 120.741 121.223 -0.092 0.000 2.043 413 L HA -0.286 4.054 4.340 0.001 0.000 0.212 413 L C 2.848 179.622 176.870 -0.161 0.000 1.075 413 L CA 1.193 55.812 54.840 -0.369 0.000 0.752 413 L CB -0.876 40.604 42.059 -0.965 0.000 0.891 413 L HN 0.322 nan 8.230 nan 0.000 0.432 414 A N -0.213 122.604 122.820 -0.004 0.000 1.848 414 A HA -0.375 3.945 4.320 0.001 0.000 0.217 414 A C 2.216 179.942 177.584 0.237 0.000 1.220 414 A CA 2.296 54.578 52.037 0.408 0.000 0.645 414 A CB -1.044 18.174 19.000 0.364 0.000 0.842 414 A HN 0.498 nan 8.150 nan 0.000 0.451 415 Q N -0.788 119.105 119.800 0.154 0.000 2.224 415 Q HA -0.242 4.099 4.340 0.001 0.000 0.213 415 Q C 2.062 178.078 176.000 0.028 0.000 0.998 415 Q CA 1.932 57.797 55.803 0.103 0.000 0.895 415 Q CB -0.267 28.553 28.738 0.137 0.000 0.926 415 Q HN 0.718 nan 8.270 nan 0.000 0.417 416 L N -0.698 120.490 121.223 -0.057 0.000 1.993 416 L HA -0.166 4.174 4.340 0.001 0.000 0.206 416 L C 2.333 179.243 176.870 0.067 0.000 1.074 416 L CA 1.005 55.745 54.840 -0.167 0.000 0.746 416 L CB -0.600 41.214 42.059 -0.408 0.000 0.896 416 L HN 0.292 nan 8.230 nan 0.000 0.435 417 F N 1.231 121.169 119.950 -0.019 0.000 2.063 417 F HA -0.327 4.200 4.527 0.001 0.000 0.298 417 F C 2.489 178.341 175.800 0.088 0.000 1.105 417 F CA 1.684 59.722 58.000 0.063 0.000 1.215 417 F CB -0.569 38.542 39.000 0.185 0.000 0.972 417 F HN 0.002 nan 8.300 nan 0.000 0.483 418 K N -0.568 119.925 120.400 0.155 0.000 1.969 418 K HA -0.215 4.105 4.320 0.001 0.000 0.223 418 K C 1.780 178.390 176.600 0.017 0.000 1.048 418 K CA 2.635 58.939 56.287 0.029 0.000 0.983 418 K CB -1.005 31.516 32.500 0.035 0.000 0.738 418 K HN 0.209 nan 8.250 nan 0.000 0.446 419 T N 2.082 116.645 114.554 0.015 0.000 2.896 419 T HA -0.157 4.193 4.350 0.001 0.000 0.270 419 T C 1.769 176.463 174.700 -0.010 0.000 1.104 419 T CA 1.060 63.154 62.100 -0.012 0.000 1.115 419 T CB -0.101 68.756 68.868 -0.018 0.000 0.843 419 T HN 0.151 nan 8.240 nan 0.000 0.523 420 L N -0.918 120.331 121.223 0.045 0.000 2.189 420 L HA 0.192 4.532 4.340 0.001 0.000 0.199 420 L C 2.200 179.135 176.870 0.108 0.000 1.074 420 L CA 0.572 55.457 54.840 0.075 0.000 0.783 420 L CB -0.405 41.739 42.059 0.141 0.000 0.955 420 L HN 0.147 nan 8.230 nan 0.000 0.460 421 F N 1.672 121.576 119.950 -0.077 0.000 2.202 421 F HA -0.224 4.304 4.527 0.001 0.000 0.301 421 F C 2.241 177.923 175.800 -0.196 0.000 1.082 421 F CA 1.530 59.409 58.000 -0.201 0.000 1.313 421 F CB -0.301 38.383 39.000 -0.527 0.000 1.024 421 F HN -0.077 nan 8.300 nan 0.000 0.495 422 K N -0.072 120.130 120.400 -0.329 0.000 2.217 422 K HA -0.139 4.182 4.320 0.001 0.000 0.202 422 K C 2.071 178.518 176.600 -0.255 0.000 1.051 422 K CA 0.977 57.022 56.287 -0.403 0.000 0.952 422 K CB -0.166 32.176 32.500 -0.264 0.000 0.736 422 K HN 0.194 nan 8.250 nan 0.000 0.453 423 K N 0.866 121.182 120.400 -0.139 0.000 2.366 423 K HA -0.064 4.257 4.320 0.001 0.000 0.198 423 K C 1.819 178.382 176.600 -0.061 0.000 1.044 423 K CA 0.350 56.588 56.287 -0.082 0.000 0.973 423 K CB 0.190 32.664 32.500 -0.043 0.000 0.767 423 K HN 0.005 nan 8.250 nan 0.000 0.475 424 L N 0.147 121.325 121.223 -0.075 0.000 2.145 424 L HA 0.009 4.349 4.340 0.001 0.000 0.201 424 L C 1.837 178.663 176.870 -0.073 0.000 1.075 424 L CA 1.707 56.538 54.840 -0.015 0.000 0.773 424 L CB -0.530 41.587 42.059 0.097 0.000 0.936 424 L HN -0.041 nan 8.230 nan 0.000 0.451 425 T N 0.602 114.989 114.554 -0.278 0.000 2.803 425 T HA -0.186 4.164 4.350 0.001 0.000 0.269 425 T C 1.325 175.921 174.700 -0.173 0.000 1.052 425 T CA 1.745 63.660 62.100 -0.308 0.000 1.136 425 T CB -0.277 68.217 68.868 -0.624 0.000 0.864 425 T HN 0.506 nan 8.240 nan 0.000 0.467 426 K N 0.222 120.525 120.400 -0.163 0.000 2.570 426 K HA 0.223 4.543 4.320 0.001 0.000 0.210 426 K C 0.587 177.208 176.600 0.035 0.000 1.048 426 K CA 0.098 56.318 56.287 -0.111 0.000 1.167 426 K CB 0.501 32.908 32.500 -0.154 0.000 0.892 426 K HN 0.047 nan 8.250 nan 0.000 0.480 427 D N 0.372 120.814 120.400 0.070 0.000 2.415 427 D HA 0.191 4.831 4.640 0.001 0.000 0.269 427 D C 1.564 177.959 176.300 0.158 0.000 1.099 427 D CA 0.132 54.195 54.000 0.104 0.000 0.865 427 D CB 0.490 41.328 40.800 0.064 0.000 1.359 427 D HN 0.200 nan 8.370 nan 0.000 0.506 428 I N 0.737 121.406 120.570 0.166 0.000 2.493 428 I HA -0.208 3.962 4.170 0.001 0.000 0.254 428 I C 2.110 178.408 176.117 0.302 0.000 1.160 428 I CA 0.653 62.074 61.300 0.203 0.000 1.445 428 I CB -0.092 38.042 38.000 0.223 0.000 1.086 428 I HN -0.068 nan 8.210 nan 0.000 0.433 429 F N 1.746 121.745 119.950 0.082 0.000 2.146 429 F HA -0.095 4.433 4.527 0.001 0.000 0.298 429 F C 2.386 178.238 175.800 0.086 0.000 1.096 429 F CA 1.405 59.447 58.000 0.071 0.000 1.275 429 F CB -0.346 38.676 39.000 0.036 0.000 1.008 429 F HN -0.098 nan 8.300 nan 0.000 0.480 430 R N -1.550 119.105 120.500 0.259 0.000 2.369 430 R HA -0.170 4.170 4.340 0.001 0.000 0.200 430 R C 1.127 177.530 176.300 0.172 0.000 1.046 430 R CA 0.563 56.761 56.100 0.163 0.000 1.057 430 R CB -0.473 29.916 30.300 0.148 0.000 0.888 430 R HN 0.385 nan 8.270 nan 0.000 0.474 431 Y N -0.227 120.094 120.300 0.035 0.000 2.539 431 Y HA 0.122 4.672 4.550 0.000 0.000 0.284 431 Y C 1.939 177.828 175.900 -0.018 0.000 1.134 431 Y CA 0.502 58.614 58.100 0.018 0.000 1.251 431 Y CB 0.273 38.757 38.460 0.040 0.000 1.260 431 Y HN -0.165 nan 8.280 nan 0.000 0.528 432 M N -0.118 119.516 119.600 0.056 0.000 2.123 432 M HA -0.177 4.303 4.480 0.001 0.000 0.263 432 M C 1.663 177.871 176.300 -0.154 0.000 1.069 432 M CA 1.593 56.848 55.300 -0.075 0.000 1.133 432 M CB -0.389 32.164 32.600 -0.078 0.000 1.356 432 M HN 0.149 nan 8.290 nan 0.000 0.415 433 Q N 0.224 119.915 119.800 -0.181 0.000 2.561 433 Q HA -0.085 4.255 4.340 0.001 0.000 0.217 433 Q C 1.449 177.380 176.000 -0.115 0.000 0.980 433 Q CA 0.752 56.452 55.803 -0.171 0.000 0.927 433 Q CB -0.013 28.622 28.738 -0.171 0.000 0.980 433 Q HN 0.509 nan 8.270 nan 0.000 0.525 434 R N -1.244 119.180 120.500 -0.128 0.000 2.435 434 R HA 0.097 4.438 4.340 0.001 0.000 0.221 434 R C 0.307 176.509 176.300 -0.164 0.000 0.885 434 R CA 0.096 56.121 56.100 -0.125 0.000 1.018 434 R CB 0.767 30.999 30.300 -0.113 0.000 1.259 434 R HN -0.082 nan 8.270 nan 0.000 0.597 435 T N 2.147 116.571 114.554 -0.216 0.000 3.121 435 T HA 0.017 4.368 4.350 0.001 0.000 0.256 435 T C 1.227 175.848 174.700 -0.131 0.000 0.942 435 T CA 0.115 62.087 62.100 -0.214 0.000 1.158 435 T CB 0.515 69.244 68.868 -0.232 0.000 0.963 435 T HN -0.073 nan 8.240 nan 0.000 0.660 436 V N 2.415 122.265 119.914 -0.107 0.000 3.383 436 V HA -0.059 4.061 4.120 0.001 0.000 0.272 436 V C 1.518 177.573 176.094 -0.064 0.000 1.181 436 V CA 1.061 63.316 62.300 -0.075 0.000 1.171 436 V CB -0.792 30.994 31.823 -0.060 0.000 0.800 436 V HN 0.758 nan 8.190 nan 0.000 0.515 447 A N 0.075 122.611 122.820 -0.473 0.000 3.384 447 A HA -0.172 4.149 4.320 0.001 0.000 0.260 447 A C 0.177 177.597 177.584 -0.274 0.000 1.168 447 A CA 1.434 53.032 52.037 -0.731 0.000 1.253 447 A CB -2.251 15.776 19.000 -1.622 0.000 1.122 447 A HN 0.567 nan 8.150 nan 0.000 0.934 448 I N 1.208 121.706 120.570 -0.121 0.000 2.412 448 I HA 0.194 4.365 4.170 0.001 0.000 0.279 448 I C 0.339 176.477 176.117 0.035 0.000 1.063 448 I CA -0.479 60.819 61.300 -0.004 0.000 1.193 448 I CB 0.925 38.954 38.000 0.050 0.000 1.370 448 I HN 0.345 nan 8.210 nan 0.000 0.479 449 N N 4.746 123.466 118.700 0.033 0.000 2.892 449 N HA 0.136 4.877 4.740 0.001 0.000 0.300 449 N C 1.363 176.907 175.510 0.056 0.000 1.211 449 N CA 0.099 53.181 53.050 0.054 0.000 1.158 449 N CB 0.693 39.208 38.487 0.047 0.000 1.455 449 N HN 0.674 nan 8.380 nan 0.000 0.524 450 A N 2.546 125.404 122.820 0.063 0.000 2.139 450 A HA -0.222 4.098 4.320 0.001 0.000 0.221 450 A C 2.125 179.699 177.584 -0.015 0.000 1.159 450 A CA 1.225 53.239 52.037 -0.038 0.000 0.662 450 A CB -0.489 18.387 19.000 -0.206 0.000 0.796 450 A HN 0.700 nan 8.150 nan 0.000 0.463 451 K N -0.510 119.930 120.400 0.066 0.000 2.147 451 K HA -0.139 4.181 4.320 0.001 0.000 0.205 451 K C 1.827 178.451 176.600 0.039 0.000 1.049 451 K CA 1.676 58.004 56.287 0.070 0.000 0.936 451 K CB -0.377 32.172 32.500 0.081 0.000 0.722 451 K HN 0.452 nan 8.250 nan 0.000 0.446 452 T N 2.025 116.599 114.554 0.033 0.000 2.597 452 T HA -0.224 4.127 4.350 0.001 0.000 0.267 452 T C 1.851 176.565 174.700 0.023 0.000 1.053 452 T CA 2.064 64.180 62.100 0.028 0.000 1.165 452 T CB -0.240 68.650 68.868 0.035 0.000 0.863 452 T HN 0.218 nan 8.240 nan 0.000 0.427 453 I N 0.816 121.401 120.570 0.026 0.000 2.133 453 I HA -0.189 3.981 4.170 0.001 0.000 0.238 453 I C 2.791 178.901 176.117 -0.012 0.000 1.074 453 I CA 1.329 62.643 61.300 0.023 0.000 1.342 453 I CB -1.100 36.919 38.000 0.032 0.000 1.053 453 I HN 0.270 nan 8.210 nan 0.000 0.404 454 T N 1.036 115.576 114.554 -0.023 0.000 2.564 454 T HA -0.293 4.057 4.350 0.001 0.000 0.264 454 T C 2.048 176.760 174.700 0.021 0.000 1.100 454 T CA 2.587 64.686 62.100 -0.002 0.000 1.171 454 T CB -0.661 68.229 68.868 0.038 0.000 0.863 454 T HN 0.603 nan 8.240 nan 0.000 0.430 455 S N 1.494 117.216 115.700 0.036 0.000 2.363 455 S HA -0.067 4.404 4.470 0.001 0.000 0.218 455 S C 2.414 177.050 174.600 0.060 0.000 1.035 455 S CA 1.509 59.743 58.200 0.056 0.000 1.043 455 S CB -1.564 61.672 63.200 0.060 0.000 0.986 455 S HN 0.598 nan 8.310 nan 0.000 0.423 456 G N 2.602 111.416 108.800 0.024 0.000 2.703 456 G HA2 -0.287 3.673 3.960 0.001 0.000 0.222 456 G HA3 -0.287 3.673 3.960 0.001 0.000 0.222 456 G C 1.477 176.376 174.900 -0.002 0.000 1.183 456 G CA 1.502 46.598 45.100 -0.008 0.000 0.775 456 G HN 0.501 nan 8.290 nan 0.000 0.615 457 L N -0.046 121.152 121.223 -0.040 0.000 2.013 457 L HA -0.187 4.153 4.340 0.001 0.000 0.212 457 L C 3.102 179.960 176.870 -0.020 0.000 1.073 457 L CA 2.036 56.827 54.840 -0.080 0.000 0.753 457 L CB -0.426 41.587 42.059 -0.076 0.000 0.890 457 L HN 0.284 nan 8.230 nan 0.000 0.432 458 K N -0.845 119.575 120.400 0.034 0.000 1.978 458 K HA -0.277 4.043 4.320 0.001 0.000 0.214 458 K C 2.081 178.730 176.600 0.083 0.000 1.049 458 K CA 2.090 58.411 56.287 0.056 0.000 0.939 458 K CB -0.661 31.877 32.500 0.064 0.000 0.721 458 K HN 0.149 nan 8.250 nan 0.000 0.441 459 Y N 1.333 121.629 120.300 -0.006 0.000 2.172 459 Y HA -0.412 4.138 4.550 0.001 0.000 0.280 459 Y C 2.079 177.994 175.900 0.024 0.000 1.209 459 Y CA 1.805 59.909 58.100 0.007 0.000 1.171 459 Y CB -0.197 38.260 38.460 -0.004 0.000 0.965 459 Y HN 0.188 nan 8.280 nan 0.000 0.520 460 A N -0.294 122.675 122.820 0.247 0.000 1.826 460 A HA -0.116 4.205 4.320 0.001 0.000 0.214 460 A C 1.849 179.604 177.584 0.285 0.000 1.212 460 A CA 1.572 53.745 52.037 0.227 0.000 0.605 460 A CB -1.147 17.724 19.000 -0.216 0.000 0.861 460 A HN 0.378 nan 8.150 nan 0.000 0.447 461 L N -0.085 121.238 121.223 0.166 0.000 2.549 461 L HA -0.062 4.278 4.340 0.001 0.000 0.230 461 L C 2.543 179.437 176.870 0.040 0.000 1.162 461 L CA 1.314 56.215 54.840 0.103 0.000 0.834 461 L CB -0.581 41.447 42.059 -0.052 0.000 0.947 461 L HN 0.454 nan 8.230 nan 0.000 0.452 462 A N -1.890 120.943 122.820 0.021 0.000 1.997 462 A HA 0.017 4.337 4.320 0.001 0.000 0.212 462 A C 2.134 179.679 177.584 -0.065 0.000 1.178 462 A CA 1.461 53.480 52.037 -0.031 0.000 0.698 462 A CB -0.238 18.723 19.000 -0.066 0.000 0.842 462 A HN 0.398 nan 8.150 nan 0.000 0.458 463 T N -3.052 111.455 114.554 -0.078 0.000 3.156 463 T HA 0.465 4.815 4.350 0.001 0.000 0.236 463 T C 1.490 176.183 174.700 -0.011 0.000 0.978 463 T CA 1.033 63.083 62.100 -0.084 0.000 1.240 463 T CB 0.174 68.939 68.868 -0.171 0.000 0.951 463 T HN 1.273 nan 8.240 nan 0.000 0.420 464 G N 1.525 110.372 108.800 0.078 0.000 2.485 464 G HA2 -0.150 3.810 3.960 0.001 0.000 0.181 464 G HA3 -0.150 3.810 3.960 0.001 0.000 0.181 464 G C -0.101 174.911 174.900 0.186 0.000 0.999 464 G CA -0.584 44.554 45.100 0.064 0.000 0.721 464 G HN 0.487 nan 8.290 nan 0.000 0.486 465 N N 1.291 120.129 118.700 0.231 0.000 2.543 465 N HA 0.085 4.826 4.740 0.001 0.000 0.289 465 N C 1.074 176.857 175.510 0.456 0.000 1.223 465 N CA -0.317 52.909 53.050 0.294 0.000 1.080 465 N CB 0.279 38.955 38.487 0.314 0.000 1.450 465 N HN 0.538 nan 8.380 nan 0.000 0.501 466 W N 2.067 123.403 121.300 0.059 0.000 2.282 466 W HA -0.168 4.492 4.660 0.001 0.000 0.325 466 W C 2.164 178.706 176.519 0.040 0.000 1.211 466 W CA 0.690 58.059 57.345 0.040 0.000 1.209 466 W CB -0.274 29.193 29.460 0.011 0.000 1.185 466 W HN 0.512 nan 8.180 nan 0.000 0.454 467 G N 1.158 110.103 108.800 0.242 0.000 2.912 467 G HA2 -0.166 3.794 3.960 0.001 0.000 0.210 467 G HA3 -0.166 3.794 3.960 0.001 0.000 0.210 467 G C -0.063 174.840 174.900 0.005 0.000 1.148 467 G CA 1.593 46.747 45.100 0.090 0.000 0.747 467 G HN 0.553 nan 8.290 nan 0.000 0.580 468 E N -3.189 116.994 120.200 -0.030 0.000 3.166 468 E HA -0.169 4.181 4.350 0.001 0.000 0.219 468 E C 0.622 177.050 176.600 -0.288 0.000 1.331 468 E CA 1.100 57.390 56.400 -0.182 0.000 1.887 468 E CB -0.810 28.792 29.700 -0.163 0.000 2.076 468 E HN 0.509 nan 8.360 nan 0.000 0.560 469 Q N 0.601 120.186 119.800 -0.358 0.000 3.083 469 Q HA 0.687 5.027 4.340 0.001 0.000 0.197 469 Q C -0.511 175.425 176.000 -0.106 0.000 1.107 469 Q CA -0.848 54.769 55.803 -0.309 0.000 0.675 469 Q CB 0.891 29.367 28.738 -0.437 0.000 3.807 469 Q HN 0.438 nan 8.270 nan 0.000 0.357 470 K N -0.647 119.714 120.400 -0.065 0.000 2.972 470 K HA -0.131 4.190 4.320 0.001 0.000 0.853 470 K C -0.797 175.804 176.600 0.001 0.000 2.102 470 K CA 0.263 56.535 56.287 -0.026 0.000 1.382 470 K CB -0.696 31.786 32.500 -0.031 0.000 2.605 470 K HN 0.442 nan 8.250 nan 0.000 0.218 471 K N 1.014 121.416 120.400 0.003 0.000 3.225 471 K HA 0.306 4.627 4.320 0.001 0.000 0.282 471 K C -0.433 176.175 176.600 0.013 0.000 1.060 471 K CA 0.388 56.681 56.287 0.011 0.000 1.186 471 K CB 0.248 32.753 32.500 0.009 0.000 1.214 471 K HN 0.428 nan 8.250 nan 0.000 0.428 472 A N 0.693 123.523 122.820 0.017 0.000 2.488 472 A HA 0.387 4.707 4.320 0.001 0.000 0.295 472 A C 0.147 177.754 177.584 0.039 0.000 1.045 472 A CA -0.708 51.342 52.037 0.022 0.000 0.703 472 A CB 0.980 19.988 19.000 0.014 0.000 1.271 472 A HN 0.285 nan 8.150 nan 0.000 0.400 473 M N 1.863 121.488 119.600 0.042 0.000 2.495 473 M HA -0.011 4.469 4.480 0.001 0.000 0.237 473 M C 1.948 178.282 176.300 0.057 0.000 1.131 473 M CA 0.837 56.169 55.300 0.053 0.000 1.032 473 M CB -0.189 32.436 32.600 0.041 0.000 1.513 473 M HN 1.046 nan 8.290 nan 0.000 0.488 474 S N 0.272 116.002 115.700 0.049 0.000 2.546 474 S HA -0.236 4.235 4.470 0.001 0.000 0.293 474 S C 1.026 175.668 174.600 0.070 0.000 1.180 474 S CA 1.734 59.963 58.200 0.049 0.000 1.075 474 S CB -1.346 61.878 63.200 0.040 0.000 0.879 474 S HN 0.638 nan 8.310 nan 0.000 0.476 475 S N 1.364 117.121 115.700 0.095 0.000 2.768 475 S HA 0.626 5.096 4.470 0.001 0.000 0.300 475 S C -0.222 174.429 174.600 0.085 0.000 1.122 475 S CA -1.367 56.908 58.200 0.126 0.000 0.995 475 S CB 0.741 64.069 63.200 0.213 0.000 1.195 475 S HN 0.512 nan 8.310 nan 0.000 0.547 476 R N 0.588 121.130 120.500 0.071 0.000 2.296 476 R HA 0.544 4.885 4.340 0.001 0.000 0.327 476 R C -0.424 175.869 176.300 -0.012 0.000 1.137 476 R CA -0.369 55.733 56.100 0.004 0.000 1.020 476 R CB 0.034 30.304 30.300 -0.049 0.000 1.110 476 R HN 0.663 nan 8.270 nan 0.000 0.499 477 A N 2.553 125.376 122.820 0.005 0.000 2.655 477 A HA 0.399 4.720 4.320 0.001 0.000 0.297 477 A C 1.080 178.640 177.584 -0.040 0.000 1.461 477 A CA 0.396 52.433 52.037 -0.001 0.000 1.146 477 A CB -0.290 18.717 19.000 0.012 0.000 1.108 477 A HN 0.994 nan 8.150 nan 0.000 0.550 478 G N 1.178 109.931 108.800 -0.079 0.000 4.187 478 G HA2 0.171 4.131 3.960 0.001 0.000 0.174 478 G HA3 0.171 4.131 3.960 0.001 0.000 0.174 478 G C 0.089 174.895 174.900 -0.156 0.000 0.947 478 G CA 0.328 45.369 45.100 -0.099 0.000 0.940 478 G HN 0.742 nan 8.290 nan 0.000 0.410 479 V N 2.244 122.000 119.914 -0.263 0.000 2.673 479 V HA 0.417 4.537 4.120 0.001 0.000 0.303 479 V C 1.133 177.027 176.094 -0.333 0.000 1.046 479 V CA 0.876 62.927 62.300 -0.415 0.000 1.126 479 V CB 0.777 32.097 31.823 -0.839 0.000 0.934 479 V HN 1.627 nan 8.190 nan 0.000 0.487 480 S N 2.798 118.324 115.700 -0.290 0.000 3.688 480 S HA -0.142 4.329 4.470 0.001 0.000 0.561 480 S C -0.195 174.338 174.600 -0.111 0.000 0.708 480 S CA 0.854 58.937 58.200 -0.195 0.000 1.405 480 S CB -0.804 62.300 63.200 -0.159 0.000 0.887 480 S HN 0.902 nan 8.310 nan 0.000 0.801 481 Q N 1.753 121.501 119.800 -0.087 0.000 2.298 481 Q HA 0.722 5.062 4.340 0.001 0.000 0.181 481 Q C -0.037 175.952 176.000 -0.019 0.000 1.004 481 Q CA -0.857 54.933 55.803 -0.021 0.000 1.050 481 Q CB 0.703 29.483 28.738 0.069 0.000 1.254 481 Q HN 0.499 nan 8.270 nan 0.000 0.531 482 V N 2.032 121.954 119.914 0.013 0.000 2.311 482 V HA 0.113 4.233 4.120 0.001 0.000 0.275 482 V C -0.363 175.714 176.094 -0.028 0.000 1.022 482 V CA -0.700 61.583 62.300 -0.029 0.000 0.830 482 V CB 0.563 32.358 31.823 -0.047 0.000 1.012 482 V HN 0.504 nan 8.190 nan 0.000 0.452 483 L N 5.153 126.308 121.223 -0.112 0.000 2.848 483 L HA -0.094 4.246 4.340 0.001 0.000 0.286 483 L C 0.589 177.339 176.870 -0.200 0.000 1.150 483 L CA 0.780 55.518 54.840 -0.170 0.000 0.958 483 L CB -0.606 41.201 42.059 -0.420 0.000 1.322 483 L HN 0.671 nan 8.230 nan 0.000 0.469 484 N N 4.080 122.709 118.700 -0.118 0.000 2.411 484 N HA 0.017 4.757 4.740 0.001 0.000 0.282 484 N C 0.027 175.171 175.510 -0.611 0.000 1.322 484 N CA 0.359 53.006 53.050 -0.673 0.000 0.943 484 N CB 0.023 38.075 38.487 -0.726 0.000 1.266 484 N HN 0.370 nan 8.380 nan 0.000 0.486 485 R N 2.341 122.457 120.500 -0.641 0.000 3.863 485 R HA 0.231 4.572 4.340 0.001 0.000 0.304 485 R C 0.171 176.241 176.300 -0.384 0.000 1.485 485 R CA -0.097 55.708 56.100 -0.493 0.000 1.355 485 R CB -0.296 29.641 30.300 -0.606 0.000 1.457 485 R HN 0.675 nan 8.270 nan 0.000 0.669 486 Y N -2.069 118.116 120.300 -0.191 0.000 2.190 486 Y HA 0.211 4.762 4.550 0.001 0.000 0.290 486 Y C 0.807 176.718 175.900 0.019 0.000 1.115 486 Y CA -0.066 57.960 58.100 -0.124 0.000 1.107 486 Y CB 0.680 39.073 38.460 -0.112 0.000 1.033 486 Y HN -0.058 nan 8.280 nan 0.000 0.502 487 T N -1.512 113.183 114.554 0.235 0.000 2.896 487 T HA 0.129 4.480 4.350 0.001 0.000 0.297 487 T C -0.297 174.532 174.700 0.215 0.000 1.108 487 T CA -0.686 61.558 62.100 0.240 0.000 1.004 487 T CB 1.695 70.683 68.868 0.200 0.000 1.159 487 T HN 0.060 nan 8.240 nan 0.000 0.499 488 Y N 2.689 123.065 120.300 0.125 0.000 2.014 488 Y HA -0.262 4.288 4.550 0.001 0.000 0.272 488 Y C 2.820 178.762 175.900 0.070 0.000 1.164 488 Y CA 2.876 61.023 58.100 0.078 0.000 1.114 488 Y CB -0.807 37.659 38.460 0.009 0.000 0.961 488 Y HN 0.757 nan 8.280 nan 0.000 0.489 489 S N -1.034 114.728 115.700 0.103 0.000 2.372 489 S HA -0.341 4.129 4.470 0.001 0.000 0.227 489 S C 2.329 176.887 174.600 -0.070 0.000 1.044 489 S CA 1.870 60.072 58.200 0.003 0.000 1.050 489 S CB -1.539 61.730 63.200 0.116 0.000 0.901 489 S HN 0.574 nan 8.310 nan 0.000 0.447 490 S N 1.651 117.350 115.700 -0.002 0.000 2.369 490 S HA -0.215 4.256 4.470 0.001 0.000 0.225 490 S C 2.021 176.564 174.600 -0.096 0.000 1.043 490 S CA 2.349 60.536 58.200 -0.021 0.000 1.074 490 S CB -1.538 61.692 63.200 0.049 0.000 0.962 490 S HN 0.740 nan 8.310 nan 0.000 0.433 491 T N 3.153 117.620 114.554 -0.144 0.000 2.665 491 T HA -0.101 4.249 4.350 0.001 0.000 0.268 491 T C 1.767 176.353 174.700 -0.190 0.000 1.035 491 T CA 1.748 63.737 62.100 -0.186 0.000 1.151 491 T CB -0.572 68.165 68.868 -0.218 0.000 0.862 491 T HN 0.358 nan 8.240 nan 0.000 0.438 492 L N 0.630 121.690 121.223 -0.272 0.000 1.970 492 L HA -0.153 4.187 4.340 0.001 0.000 0.212 492 L C 2.906 179.706 176.870 -0.116 0.000 1.071 492 L CA 1.427 56.136 54.840 -0.218 0.000 0.751 492 L CB -0.971 40.935 42.059 -0.255 0.000 0.889 492 L HN 0.263 nan 8.230 nan 0.000 0.432 493 S N -1.084 114.559 115.700 -0.095 0.000 2.381 493 S HA -0.352 4.118 4.470 0.001 0.000 0.230 493 S C 2.030 176.632 174.600 0.003 0.000 1.052 493 S CA 1.883 60.052 58.200 -0.051 0.000 1.068 493 S CB -0.534 62.636 63.200 -0.050 0.000 0.918 493 S HN 0.533 nan 8.310 nan 0.000 0.448 494 H N -0.355 118.637 119.070 -0.131 0.000 2.456 494 H HA 0.016 4.573 4.556 0.001 0.000 0.296 494 H C 1.868 177.130 175.328 -0.111 0.000 1.079 494 H CA 1.230 57.199 56.048 -0.132 0.000 1.322 494 H CB -0.011 29.642 29.762 -0.181 0.000 1.388 494 H HN 0.366 nan 8.280 nan 0.000 0.538 495 L N 0.069 121.251 121.223 -0.069 0.000 2.313 495 L HA -0.022 4.319 4.340 0.001 0.000 0.214 495 L C 1.372 178.201 176.870 -0.067 0.000 1.119 495 L CA 0.713 55.489 54.840 -0.107 0.000 0.809 495 L CB 0.141 42.154 42.059 -0.078 0.000 0.933 495 L HN 0.168 nan 8.230 nan 0.000 0.449 496 R N -0.053 120.419 120.500 -0.046 0.000 2.694 496 R HA 0.214 4.554 4.340 0.001 0.000 0.334 496 R C 0.185 176.468 176.300 -0.028 0.000 1.143 496 R CA -0.230 55.848 56.100 -0.038 0.000 1.073 496 R CB 0.140 30.416 30.300 -0.039 0.000 1.366 496 R HN 0.122 nan 8.270 nan 0.000 0.577 497 R N 0.556 121.043 120.500 -0.021 0.000 2.457 497 R HA 0.271 4.611 4.340 0.001 0.000 0.284 497 R C -0.695 175.594 176.300 -0.019 0.000 1.024 497 R CA -0.004 56.092 56.100 -0.006 0.000 1.025 497 R CB 1.392 31.720 30.300 0.047 0.000 1.063 497 R HN -0.128 nan 8.270 nan 0.000 0.493 498 T N 2.303 116.848 114.554 -0.015 0.000 2.856 498 T HA 0.328 4.678 4.350 0.001 0.000 0.283 498 T C -1.047 173.642 174.700 -0.018 0.000 1.008 498 T CA -0.609 61.484 62.100 -0.011 0.000 0.997 498 T CB 1.327 70.206 68.868 0.019 0.000 0.992 498 T HN 0.614 nan 8.240 nan 0.000 0.454 499 N N 0.427 119.110 118.700 -0.027 0.000 2.453 499 N HA 0.736 5.476 4.740 0.001 0.000 0.290 499 N C -1.420 174.077 175.510 -0.022 0.000 1.250 499 N CA -0.390 52.639 53.050 -0.034 0.000 0.815 499 N CB 1.901 40.351 38.487 -0.062 0.000 1.381 499 N HN 0.472 nan 8.380 nan 0.000 0.510 500 T N 1.227 115.768 114.554 -0.022 0.000 2.956 500 T HA 0.454 4.804 4.350 0.001 0.000 0.312 500 T C -2.868 171.821 174.700 -0.019 0.000 1.151 500 T CA -0.756 61.338 62.100 -0.010 0.000 1.024 500 T CB 2.083 70.959 68.868 0.012 0.000 1.140 500 T HN 0.434 nan 8.240 nan 0.000 0.473 501 P HA 0.473 nan 4.420 nan 0.000 0.273 501 P C -0.591 176.701 177.300 -0.012 0.000 1.531 501 P CA -0.456 62.632 63.100 -0.020 0.000 1.027 501 P CB -0.008 31.679 31.700 -0.021 0.000 1.387 502 I N 1.382 121.944 120.570 -0.013 0.000 3.394 502 I HA 0.292 4.462 4.170 0.001 0.000 0.264 502 I C 2.300 178.410 176.117 -0.013 0.000 1.184 502 I CA -0.171 61.122 61.300 -0.011 0.000 0.890 502 I CB -0.637 37.356 38.000 -0.011 0.000 1.619 502 I HN 0.237 nan 8.210 nan 0.000 0.820 503 G N -0.034 108.758 108.800 -0.014 0.000 2.666 503 G HA2 -0.119 3.842 3.960 0.001 0.000 0.215 503 G HA3 -0.119 3.842 3.960 0.001 0.000 0.215 503 G C 1.311 176.204 174.900 -0.012 0.000 1.294 503 G CA 1.334 46.425 45.100 -0.014 0.000 0.811 503 G HN 0.662 nan 8.290 nan 0.000 0.594 504 R N -2.058 118.434 120.500 -0.013 0.000 1.964 504 R HA 0.044 4.384 4.340 0.001 0.000 0.068 504 R C -0.953 175.340 176.300 -0.012 0.000 0.690 504 R CA 0.056 56.149 56.100 -0.011 0.000 2.117 504 R CB 0.359 30.653 30.300 -0.009 0.000 1.033 504 R HN 0.310 nan 8.270 nan 0.000 0.513 505 D N -0.236 120.156 120.400 -0.013 0.000 2.414 505 D HA 0.334 4.974 4.640 0.001 0.000 0.241 505 D C -0.022 176.269 176.300 -0.015 0.000 1.008 505 D CA -0.364 53.627 54.000 -0.014 0.000 1.001 505 D CB 1.336 42.127 40.800 -0.014 0.000 1.277 505 D HN 0.107 nan 8.370 nan 0.000 0.538 506 G N 0.394 109.185 108.800 -0.015 0.000 2.361 506 G HA2 0.318 4.278 3.960 0.001 0.000 0.260 506 G HA3 0.318 4.278 3.960 0.001 0.000 0.260 506 G C -0.269 174.623 174.900 -0.014 0.000 1.261 506 G CA -0.305 44.786 45.100 -0.015 0.000 0.897 506 G HN 0.176 nan 8.290 nan 0.000 0.499 507 K N 2.525 122.918 120.400 -0.013 0.000 2.425 507 K HA 0.306 4.627 4.320 0.001 0.000 0.259 507 K C -1.129 175.465 176.600 -0.009 0.000 0.978 507 K CA -0.809 55.470 56.287 -0.013 0.000 0.883 507 K CB 2.390 34.882 32.500 -0.014 0.000 1.110 507 K HN 0.310 nan 8.250 nan 0.000 0.436 508 L N 2.929 124.146 121.223 -0.010 0.000 2.289 508 L HA 0.679 5.019 4.340 0.001 0.000 0.285 508 L C -0.248 176.618 176.870 -0.007 0.000 1.049 508 L CA 0.568 55.404 54.840 -0.007 0.000 0.804 508 L CB 1.131 43.185 42.059 -0.008 0.000 1.195 508 L HN 0.979 nan 8.230 nan 0.000 0.428 509 A N 3.636 126.456 122.820 -0.001 0.000 4.049 509 A HA 0.092 4.412 4.320 0.001 0.000 0.223 509 A C 0.284 177.875 177.584 0.011 0.000 1.005 509 A CA -0.029 52.007 52.037 -0.002 0.000 0.634 509 A CB -0.418 18.574 19.000 -0.014 0.000 1.788 509 A HN 0.738 nan 8.150 nan 0.000 0.903 510 K N -0.343 120.061 120.400 0.006 0.000 2.520 510 K HA -0.035 4.285 4.320 0.001 0.000 0.197 510 K C -1.327 175.296 176.600 0.038 0.000 1.044 510 K CA 2.034 58.332 56.287 0.020 0.000 0.938 510 K CB -0.539 31.956 32.500 -0.008 0.000 0.767 510 K HN 0.368 nan 8.250 nan 0.000 0.481 511 P HA 0.143 nan 4.420 nan 0.000 0.223 511 P C 0.804 178.152 177.300 0.080 0.000 1.097 511 P CA 0.192 63.329 63.100 0.062 0.000 0.977 511 P CB 0.328 32.052 31.700 0.039 0.000 0.935 512 R N -0.440 120.090 120.500 0.049 0.000 2.120 512 R HA -0.039 4.301 4.340 0.001 0.000 0.234 512 R C 1.144 177.479 176.300 0.058 0.000 1.123 512 R CA 0.687 56.812 56.100 0.041 0.000 0.975 512 R CB -0.757 29.556 30.300 0.021 0.000 0.866 512 R HN 0.260 nan 8.270 nan 0.000 0.446 513 Q N 0.628 120.470 119.800 0.070 0.000 2.730 513 Q HA -0.037 4.303 4.340 0.001 0.000 0.255 513 Q C -0.691 175.391 176.000 0.137 0.000 1.155 513 Q CA 0.479 56.331 55.803 0.081 0.000 1.035 513 Q CB 0.305 29.090 28.738 0.078 0.000 1.335 513 Q HN 0.039 nan 8.270 nan 0.000 0.556 514 L N 2.025 123.321 121.223 0.122 0.000 2.283 514 L HA 0.297 4.638 4.340 0.001 0.000 0.281 514 L C -1.036 175.942 176.870 0.180 0.000 1.033 514 L CA -0.173 54.777 54.840 0.184 0.000 0.848 514 L CB 0.293 42.402 42.059 0.083 0.000 1.226 514 L HN 0.646 nan 8.230 nan 0.000 0.429 515 H N 2.458 121.626 119.070 0.163 0.000 2.671 515 H HA 0.248 4.804 4.556 0.001 0.000 0.372 515 H C 1.010 176.301 175.328 -0.062 0.000 1.227 515 H CA 0.938 56.913 56.048 -0.122 0.000 1.426 515 H CB 0.957 30.432 29.762 -0.478 0.000 1.480 515 H HN 0.748 nan 8.280 nan 0.000 0.611 516 N N -0.054 118.350 118.700 -0.494 0.000 2.171 516 N HA -0.161 4.579 4.740 0.001 0.000 0.184 516 N C 1.488 177.033 175.510 0.058 0.000 1.021 516 N CA 1.336 54.285 53.050 -0.168 0.000 0.854 516 N CB -0.027 38.293 38.487 -0.279 0.000 0.994 516 N HN 0.717 nan 8.380 nan 0.000 0.426 517 T N -0.858 113.806 114.554 0.184 0.000 2.897 517 T HA -0.169 4.182 4.350 0.001 0.000 0.271 517 T C 1.446 176.206 174.700 0.100 0.000 1.084 517 T CA 1.104 63.277 62.100 0.123 0.000 1.123 517 T CB -0.439 68.447 68.868 0.031 0.000 0.865 517 T HN 0.253 nan 8.240 nan 0.000 0.496 518 H N -0.545 118.519 119.070 -0.010 0.000 2.521 518 H HA 0.107 4.664 4.556 0.001 0.000 0.286 518 H C 0.921 176.196 175.328 -0.088 0.000 1.034 518 H CA -0.106 55.793 56.048 -0.249 0.000 1.278 518 H CB -0.513 29.122 29.762 -0.210 0.000 1.386 518 H HN 0.580 nan 8.280 nan 0.000 0.567 519 W N 1.838 123.147 121.300 0.016 0.000 2.231 519 W HA 0.143 4.803 4.660 0.001 0.000 0.341 519 W C 1.207 177.732 176.519 0.011 0.000 1.298 519 W CA 1.502 58.850 57.345 0.004 0.000 1.266 519 W CB 0.230 29.688 29.460 -0.004 0.000 1.172 519 W HN 0.492 nan 8.180 nan 0.000 0.568 520 G N 3.841 112.194 108.800 -0.745 0.000 2.413 520 G HA2 -0.389 3.572 3.960 0.001 0.000 0.259 520 G HA3 -0.389 3.572 3.960 0.001 0.000 0.259 520 G C 0.939 175.755 174.900 -0.140 0.000 1.003 520 G CA 1.050 45.880 45.100 -0.449 0.000 0.629 520 G HN 0.581 nan 8.290 nan 0.000 0.548 521 L N -0.574 120.625 121.223 -0.040 0.000 2.221 521 L HA 0.324 4.665 4.340 0.001 0.000 0.202 521 L C 1.137 177.987 176.870 -0.032 0.000 1.074 521 L CA 0.574 55.434 54.840 0.034 0.000 0.795 521 L CB -0.043 42.154 42.059 0.230 0.000 0.960 521 L HN 0.180 nan 8.230 nan 0.000 0.458 522 V N -1.087 118.740 119.914 -0.145 0.000 2.919 522 V HA 0.228 4.349 4.120 0.001 0.000 0.316 522 V C -0.308 175.665 176.094 -0.201 0.000 1.077 522 V CA -1.191 60.993 62.300 -0.194 0.000 0.977 522 V CB 2.740 34.336 31.823 -0.377 0.000 1.039 522 V HN 0.198 nan 8.190 nan 0.000 0.441 523 C N 4.954 124.153 119.300 -0.169 0.000 2.605 523 C HA 0.418 4.879 4.460 0.001 0.000 0.404 523 C C -0.423 174.474 174.990 -0.154 0.000 1.284 523 C CA -0.851 58.077 59.018 -0.149 0.000 2.199 523 C CB 0.845 28.519 27.740 -0.109 0.000 2.647 523 C HN 0.864 nan 8.230 nan 0.000 0.604 524 P HA 0.084 nan 4.420 nan 0.000 0.220 524 P C 0.811 178.076 177.300 -0.059 0.000 1.154 524 P CA 1.642 64.691 63.100 -0.085 0.000 0.837 524 P CB 0.173 31.839 31.700 -0.056 0.000 0.815 525 A N 0.064 122.852 122.820 -0.054 0.000 2.115 525 A HA 0.046 4.367 4.320 0.001 0.000 0.211 525 A C 1.338 178.906 177.584 -0.028 0.000 1.169 525 A CA 0.014 52.031 52.037 -0.033 0.000 0.787 525 A CB -0.628 18.355 19.000 -0.029 0.000 0.858 525 A HN 0.202 nan 8.150 nan 0.000 0.474 526 E N 1.087 121.258 120.200 -0.048 0.000 1.996 526 E HA 0.372 4.722 4.350 0.001 0.000 0.280 526 E C -0.821 175.750 176.600 -0.048 0.000 1.092 526 E CA 0.075 56.449 56.400 -0.043 0.000 0.862 526 E CB 0.108 29.775 29.700 -0.054 0.000 1.066 526 E HN 0.163 nan 8.360 nan 0.000 0.396 527 T N 4.500 119.035 114.554 -0.031 0.000 2.957 527 T HA 0.316 4.667 4.350 0.001 0.000 0.336 527 T C -2.819 171.867 174.700 -0.023 0.000 1.462 527 T CA -1.372 60.707 62.100 -0.035 0.000 1.073 527 T CB 1.415 70.259 68.868 -0.040 0.000 1.319 527 T HN 0.330 nan 8.240 nan 0.000 0.485 528 P HA 0.240 nan 4.420 nan 0.000 0.270 528 P C -0.585 176.694 177.300 -0.035 0.000 1.223 528 P CA -0.108 62.968 63.100 -0.041 0.000 0.785 528 P CB 0.594 32.266 31.700 -0.047 0.000 0.923 529 E N 0.261 120.427 120.200 -0.057 0.000 2.319 529 E HA 0.407 4.757 4.350 0.001 0.000 0.268 529 E C 0.944 177.515 176.600 -0.047 0.000 1.050 529 E CA -0.517 55.850 56.400 -0.054 0.000 0.878 529 E CB 0.335 29.958 29.700 -0.129 0.000 1.066 529 E HN 0.729 nan 8.360 nan 0.000 0.406 530 G N 1.895 110.678 108.800 -0.028 0.000 2.606 530 G HA2 -0.440 3.521 3.960 0.001 0.000 0.285 530 G HA3 -0.440 3.521 3.960 0.001 0.000 0.285 530 G C 0.511 175.394 174.900 -0.028 0.000 1.311 530 G CA 0.805 45.889 45.100 -0.027 0.000 0.922 530 G HN 0.955 nan 8.290 nan 0.000 0.559 531 Q N -2.861 116.922 119.800 -0.028 0.000 2.398 531 Q HA -0.316 4.024 4.340 0.001 0.000 0.434 531 Q C 1.595 177.581 176.000 -0.023 0.000 0.559 531 Q CA 2.647 58.434 55.803 -0.028 0.000 0.984 531 Q CB -1.763 26.955 28.738 -0.033 0.000 2.232 531 Q HN 2.481 nan 8.270 nan 0.000 0.978 532 A N 0.826 123.630 122.820 -0.026 0.000 3.202 532 A HA 0.430 4.751 4.320 0.001 0.000 0.258 532 A C 0.064 177.634 177.584 -0.022 0.000 1.572 532 A CA 0.066 52.089 52.037 -0.023 0.000 1.241 532 A CB -0.337 18.647 19.000 -0.026 0.000 1.127 532 A HN 0.522 nan 8.150 nan 0.000 0.648 533 C N 0.413 119.702 119.300 -0.018 0.000 2.514 533 C HA 0.557 5.017 4.460 0.001 0.000 0.392 533 C C 1.683 176.667 174.990 -0.010 0.000 1.294 533 C CA 1.155 60.164 59.018 -0.015 0.000 1.957 533 C CB -0.971 26.764 27.740 -0.008 0.000 2.541 533 C HN 1.765 nan 8.230 nan 0.000 0.569 534 G N 4.586 113.376 108.800 -0.018 0.000 2.176 534 G HA2 -0.241 3.720 3.960 0.001 0.000 0.253 534 G HA3 -0.241 3.720 3.960 0.001 0.000 0.253 534 G C 0.452 175.347 174.900 -0.009 0.000 0.979 534 G CA 0.648 45.738 45.100 -0.017 0.000 0.641 534 G HN 0.745 nan 8.290 nan 0.000 0.530 535 L N -0.277 120.940 121.223 -0.010 0.000 2.357 535 L HA 0.342 4.682 4.340 0.001 0.000 0.211 535 L C 1.026 177.890 176.870 -0.011 0.000 1.075 535 L CA 0.386 55.225 54.840 -0.002 0.000 0.830 535 L CB 0.482 42.537 42.059 -0.006 0.000 0.996 535 L HN 0.117 nan 8.230 nan 0.000 0.467 536 V N 1.386 121.285 119.914 -0.025 0.000 2.350 536 V HA 0.254 4.374 4.120 0.001 0.000 0.276 536 V C -0.238 175.828 176.094 -0.047 0.000 1.028 536 V CA -0.516 61.765 62.300 -0.031 0.000 0.860 536 V CB 1.203 33.006 31.823 -0.034 0.000 0.990 536 V HN 0.151 nan 8.190 nan 0.000 0.453 537 K N 3.713 124.083 120.400 -0.050 0.000 2.328 537 K HA 0.551 4.872 4.320 0.001 0.000 0.246 537 K C -0.813 175.748 176.600 -0.064 0.000 0.955 537 K CA -0.952 55.283 56.287 -0.086 0.000 0.817 537 K CB 1.887 34.300 32.500 -0.144 0.000 1.208 537 K HN 0.453 nan 8.250 nan 0.000 0.432 538 N N 2.068 120.719 118.700 -0.081 0.000 2.392 538 N HA 0.301 5.041 4.740 0.001 0.000 0.283 538 N C -0.581 174.888 175.510 -0.068 0.000 1.003 538 N CA -0.489 52.524 53.050 -0.061 0.000 0.892 538 N CB 1.223 39.675 38.487 -0.059 0.000 1.193 538 N HN 0.372 nan 8.380 nan 0.000 0.487 539 L N 1.513 122.710 121.223 -0.042 0.000 2.514 539 L HA 0.033 4.373 4.340 0.001 0.000 0.280 539 L C 1.468 178.311 176.870 -0.046 0.000 1.223 539 L CA 0.207 55.027 54.840 -0.034 0.000 0.864 539 L CB 0.212 42.258 42.059 -0.021 0.000 1.118 539 L HN 0.453 nan 8.230 nan 0.000 0.494 540 S N 2.011 117.680 115.700 -0.052 0.000 2.536 540 S HA 0.134 4.605 4.470 0.001 0.000 0.248 540 S C 1.230 175.830 174.600 -0.001 0.000 1.287 540 S CA -0.392 57.777 58.200 -0.051 0.000 0.978 540 S CB 0.319 63.469 63.200 -0.083 0.000 0.992 540 S HN 0.470 nan 8.310 nan 0.000 0.539 541 L N 0.036 121.286 121.223 0.045 0.000 2.185 541 L HA 0.027 4.367 4.340 0.001 0.000 0.198 541 L C 2.553 179.549 176.870 0.209 0.000 1.079 541 L CA 0.650 55.582 54.840 0.153 0.000 0.780 541 L CB -0.430 41.773 42.059 0.239 0.000 0.955 541 L HN 0.489 nan 8.230 nan 0.000 0.462 542 M N 0.402 120.111 119.600 0.181 0.000 2.159 542 M HA -0.063 4.417 4.480 0.001 0.000 0.263 542 M C 1.459 177.833 176.300 0.123 0.000 1.063 542 M CA 0.743 56.186 55.300 0.237 0.000 1.110 542 M CB -1.315 31.265 32.600 -0.034 0.000 1.374 542 M HN 0.324 nan 8.290 nan 0.000 0.411 543 S N 0.435 116.134 115.700 -0.001 0.000 2.553 543 S HA 0.100 4.570 4.470 0.001 0.000 0.293 543 S C 0.199 174.682 174.600 -0.195 0.000 1.296 543 S CA -0.550 57.589 58.200 -0.103 0.000 1.046 543 S CB 0.214 63.378 63.200 -0.060 0.000 0.810 543 S HN 0.460 nan 8.310 nan 0.000 0.505 544 C N 1.694 120.712 119.300 -0.471 0.000 3.311 544 C HA 0.722 5.183 4.460 0.001 0.000 0.366 544 C C -0.482 174.044 174.990 -0.773 0.000 1.694 544 C CA -0.987 57.678 59.018 -0.590 0.000 1.244 544 C CB 0.634 27.946 27.740 -0.714 0.000 2.038 544 C HN 0.937 nan 8.230 nan 0.000 0.436 545 I N 1.418 121.654 120.570 -0.556 0.000 2.647 545 I HA 0.367 4.538 4.170 0.001 0.000 0.295 545 I C 0.116 176.322 176.117 0.147 0.000 1.078 545 I CA -0.008 61.145 61.300 -0.244 0.000 1.048 545 I CB 2.180 40.125 38.000 -0.092 0.000 1.239 545 I HN 0.808 nan 8.210 nan 0.000 0.421 546 S N 3.968 119.886 115.700 0.364 0.000 2.537 546 S HA 0.087 4.558 4.470 0.001 0.000 0.286 546 S C 0.507 175.217 174.600 0.183 0.000 1.299 546 S CA -0.494 57.923 58.200 0.362 0.000 1.067 546 S CB 1.551 64.879 63.200 0.214 0.000 0.864 546 S HN 0.545 nan 8.310 nan 0.000 0.494 547 V N 3.423 123.435 119.914 0.164 0.000 3.174 547 V HA 0.430 4.550 4.120 0.001 0.000 0.254 547 V C 1.080 177.227 176.094 0.088 0.000 1.120 547 V CA 1.346 63.710 62.300 0.107 0.000 1.114 547 V CB -0.786 31.089 31.823 0.087 0.000 0.756 547 V HN 1.695 nan 8.190 nan 0.000 0.467 548 G N 0.308 109.162 108.800 0.091 0.000 3.338 548 G HA2 -0.080 3.881 3.960 0.001 0.000 0.686 548 G HA3 -0.080 3.881 3.960 0.001 0.000 0.686 548 G C -0.368 174.584 174.900 0.086 0.000 1.053 548 G CA -0.200 44.950 45.100 0.083 0.000 0.852 548 G HN 0.494 nan 8.290 nan 0.000 0.545 549 T N 1.214 115.819 114.554 0.085 0.000 2.769 549 T HA 0.720 5.070 4.350 0.001 0.000 0.258 549 T C -0.307 174.445 174.700 0.085 0.000 1.008 549 T CA -0.248 61.905 62.100 0.088 0.000 1.021 549 T CB 1.326 70.234 68.868 0.067 0.000 1.788 549 T HN 0.683 nan 8.240 nan 0.000 0.577 550 D N 0.737 121.178 120.400 0.070 0.000 2.342 550 D HA 0.344 4.985 4.640 0.001 0.000 0.243 550 D C -1.586 174.737 176.300 0.039 0.000 1.019 550 D CA -2.258 51.775 54.000 0.055 0.000 0.864 550 D CB 2.288 43.115 40.800 0.044 0.000 1.315 550 D HN 0.068 nan 8.370 nan 0.000 0.468 551 P HA -0.041 nan 4.420 nan 0.000 0.214 551 P C 1.840 179.132 177.300 -0.014 0.000 1.167 551 P CA 0.765 63.877 63.100 0.020 0.000 0.882 551 P CB 0.587 32.312 31.700 0.042 0.000 0.777 552 M N 0.557 120.150 119.600 -0.013 0.000 2.103 552 M HA -0.129 4.352 4.480 0.001 0.000 0.255 552 M C -0.479 175.824 176.300 0.006 0.000 1.074 552 M CA 3.102 58.392 55.300 -0.016 0.000 1.090 552 M CB -2.309 30.288 32.600 -0.005 0.000 1.325 552 M HN 0.039 nan 8.290 nan 0.000 0.403 553 P HA -0.114 nan 4.420 nan 0.000 0.234 553 P C 0.851 178.179 177.300 0.046 0.000 1.162 553 P CA 1.443 64.566 63.100 0.039 0.000 0.759 553 P CB -0.248 31.469 31.700 0.027 0.000 0.813 554 I N -2.627 117.941 120.570 -0.002 0.000 4.471 554 I HA 0.100 4.271 4.170 0.001 0.000 0.326 554 I C 2.292 178.395 176.117 -0.022 0.000 1.300 554 I CA -0.073 61.186 61.300 -0.068 0.000 1.237 554 I CB 0.224 38.143 38.000 -0.135 0.000 1.195 554 I HN -0.202 nan 8.210 nan 0.000 0.427 555 I N 0.893 121.441 120.570 -0.036 0.000 2.235 555 I HA -0.193 3.978 4.170 0.001 0.000 0.241 555 I C 2.428 178.554 176.117 0.013 0.000 1.085 555 I CA 1.450 62.697 61.300 -0.089 0.000 1.378 555 I CB -0.042 37.839 38.000 -0.199 0.000 1.076 555 I HN 0.129 nan 8.210 nan 0.000 0.415 556 T N 1.133 115.710 114.554 0.038 0.000 2.737 556 T HA -0.268 4.082 4.350 0.001 0.000 0.269 556 T C 1.652 176.433 174.700 0.136 0.000 1.040 556 T CA 1.766 63.906 62.100 0.066 0.000 1.142 556 T CB -0.493 68.408 68.868 0.055 0.000 0.861 556 T HN 0.342 nan 8.240 nan 0.000 0.456 557 F N 1.128 121.071 119.950 -0.010 0.000 2.102 557 F HA -0.047 4.480 4.527 0.001 0.000 0.298 557 F C 1.949 177.774 175.800 0.043 0.000 1.105 557 F CA 1.022 59.022 58.000 0.001 0.000 1.239 557 F CB -0.205 38.742 39.000 -0.088 0.000 0.991 557 F HN 0.048 nan 8.300 nan 0.000 0.474 558 L N 0.390 121.905 121.223 0.487 0.000 1.955 558 L HA -0.278 4.063 4.340 0.001 0.000 0.213 558 L C 2.739 179.743 176.870 0.222 0.000 1.072 558 L CA 1.771 56.813 54.840 0.337 0.000 0.755 558 L CB -1.118 41.018 42.059 0.129 0.000 0.888 558 L HN 0.294 nan 8.230 nan 0.000 0.432 559 S N -0.982 114.796 115.700 0.129 0.000 2.559 559 S HA -0.187 4.284 4.470 0.001 0.000 0.250 559 S C 1.108 175.757 174.600 0.081 0.000 0.977 559 S CA 1.144 59.395 58.200 0.086 0.000 0.958 559 S CB -0.506 62.721 63.200 0.045 0.000 0.751 559 S HN 0.518 nan 8.310 nan 0.000 0.534 560 E N -1.365 118.911 120.200 0.126 0.000 2.624 560 E HA 0.189 4.540 4.350 0.001 0.000 0.210 560 E C -0.663 175.962 176.600 0.042 0.000 0.997 560 E CA -0.218 56.217 56.400 0.058 0.000 0.999 560 E CB 0.337 30.059 29.700 0.036 0.000 1.040 560 E HN 0.726 nan 8.360 nan 0.000 0.469 561 W N -0.638 120.626 121.300 -0.060 0.000 1.780 561 W HA 0.278 4.938 4.660 0.001 0.000 0.256 561 W C 1.063 177.603 176.519 0.034 0.000 0.844 561 W CA 0.114 57.436 57.345 -0.037 0.000 1.227 561 W CB 1.492 30.936 29.460 -0.026 0.000 1.006 561 W HN 0.197 nan 8.180 nan 0.000 0.493 562 G N -0.085 108.853 108.800 0.230 0.000 3.876 562 G HA2 -0.171 3.789 3.960 0.001 0.000 0.203 562 G HA3 -0.171 3.789 3.960 0.001 0.000 0.203 562 G C 0.310 175.493 174.900 0.473 0.000 1.162 562 G CA -0.267 45.083 45.100 0.418 0.000 0.903 562 G HN -0.025 nan 8.290 nan 0.000 0.390 563 M N 2.903 122.657 119.600 0.256 0.000 2.504 563 M HA 0.207 4.688 4.480 0.001 0.000 0.378 563 M C -0.254 176.106 176.300 0.100 0.000 1.706 563 M CA 0.760 56.164 55.300 0.173 0.000 1.036 563 M CB -0.027 32.622 32.600 0.081 0.000 2.129 563 M HN 0.288 nan 8.290 nan 0.000 0.474 564 E N 8.492 128.733 120.200 0.068 0.000 2.052 564 E HA 0.249 4.600 4.350 0.001 0.000 0.283 564 E C -2.124 174.430 176.600 -0.077 0.000 1.071 564 E CA -1.875 54.524 56.400 -0.003 0.000 0.851 564 E CB 0.138 29.836 29.700 -0.004 0.000 1.066 564 E HN 0.519 nan 8.360 nan 0.000 0.396 565 P HA -0.179 nan 4.420 nan 0.000 0.263 565 P C 0.678 177.829 177.300 -0.248 0.000 1.162 565 P CA 0.082 63.106 63.100 -0.125 0.000 0.758 565 P CB 0.811 32.462 31.700 -0.081 0.000 0.773 566 L N 3.503 124.501 121.223 -0.376 0.000 2.127 566 L HA -0.214 4.127 4.340 0.001 0.000 0.211 566 L C 2.305 178.860 176.870 -0.524 0.000 1.089 566 L CA 1.889 56.328 54.840 -0.669 0.000 0.757 566 L CB -0.959 40.643 42.059 -0.761 0.000 0.899 566 L HN 0.293 nan 8.230 nan 0.000 0.434 567 E N 0.114 120.139 120.200 -0.292 0.000 2.095 567 E HA -0.238 4.113 4.350 0.001 0.000 0.212 567 E C 0.500 177.002 176.600 -0.164 0.000 1.044 567 E CA 1.722 58.005 56.400 -0.194 0.000 0.857 567 E CB -0.739 28.866 29.700 -0.158 0.000 0.764 567 E HN 0.592 nan 8.360 nan 0.000 0.462 568 D N 0.149 120.458 120.400 -0.152 0.000 2.564 568 D HA 0.112 4.752 4.640 0.001 0.000 0.226 568 D C -0.736 175.506 176.300 -0.096 0.000 1.149 568 D CA -0.059 53.879 54.000 -0.104 0.000 0.994 568 D CB -0.310 40.438 40.800 -0.086 0.000 1.029 568 D HN 0.056 nan 8.370 nan 0.000 0.517 569 Y N 1.087 121.204 120.300 -0.304 0.000 2.409 569 Y HA 0.381 4.932 4.550 0.001 0.000 0.343 569 Y C -0.697 175.121 175.900 -0.136 0.000 0.973 569 Y CA -1.212 56.689 58.100 -0.331 0.000 1.064 569 Y CB 1.583 39.616 38.460 -0.712 0.000 1.207 569 Y HN 0.007 nan 8.280 nan 0.000 0.452 570 V N 6.623 126.080 119.914 -0.760 0.000 2.385 570 V HA 0.395 4.515 4.120 0.001 0.000 0.277 570 V C -2.110 173.441 176.094 -0.906 0.000 1.012 570 V CA -1.732 60.178 62.300 -0.651 0.000 0.832 570 V CB 0.956 32.500 31.823 -0.464 0.000 1.028 570 V HN 0.701 nan 8.190 nan 0.000 0.436 571 P HA -0.318 nan 4.420 nan 0.000 0.212 571 P C 1.415 178.583 177.300 -0.220 0.000 1.128 571 P CA 2.769 65.603 63.100 -0.443 0.000 0.961 571 P CB -0.227 31.460 31.700 -0.021 0.000 0.782 572 H N -0.554 118.440 119.070 -0.126 0.000 2.521 572 H HA -0.032 4.524 4.556 0.001 0.000 0.286 572 H C 2.008 177.288 175.328 -0.080 0.000 1.034 572 H CA 1.251 57.262 56.048 -0.062 0.000 1.278 572 H CB -1.007 28.735 29.762 -0.034 0.000 1.386 572 H HN 0.326 nan 8.280 nan 0.000 0.567 573 Q N 1.374 120.893 119.800 -0.468 0.000 2.311 573 Q HA 0.019 4.359 4.340 0.001 0.000 0.203 573 Q C -0.088 175.802 176.000 -0.183 0.000 0.954 573 Q CA 0.563 56.185 55.803 -0.302 0.000 0.885 573 Q CB 0.511 29.034 28.738 -0.357 0.000 0.963 573 Q HN 0.234 nan 8.270 nan 0.000 0.471 574 S N 1.434 117.015 115.700 -0.198 0.000 2.524 574 S HA 0.230 4.701 4.470 0.001 0.000 0.227 574 S C -2.220 172.376 174.600 -0.007 0.000 1.304 574 S CA -1.084 57.065 58.200 -0.086 0.000 1.185 574 S CB 1.773 64.932 63.200 -0.068 0.000 1.104 574 S HN 0.264 nan 8.310 nan 0.000 0.475 575 P HA -0.024 nan 4.420 nan 0.000 0.213 575 P C 0.198 177.580 177.300 0.136 0.000 1.169 575 P CA 1.060 64.219 63.100 0.099 0.000 0.885 575 P CB 0.081 31.831 31.700 0.084 0.000 0.779 576 D N 0.624 121.086 120.400 0.104 0.000 2.346 576 D HA 0.162 4.803 4.640 0.001 0.000 0.248 576 D C 0.603 176.977 176.300 0.123 0.000 1.173 576 D CA 0.170 54.235 54.000 0.109 0.000 0.878 576 D CB -0.535 40.310 40.800 0.075 0.000 0.919 576 D HN 0.160 nan 8.370 nan 0.000 0.513 577 A N 0.644 123.560 122.820 0.161 0.000 2.580 577 A HA 0.060 4.381 4.320 0.001 0.000 0.244 577 A C 0.854 178.542 177.584 0.173 0.000 1.045 577 A CA 0.409 52.556 52.037 0.184 0.000 0.761 577 A CB 0.056 19.248 19.000 0.319 0.000 0.962 577 A HN 0.049 nan 8.150 nan 0.000 0.512 578 T N 4.429 119.066 114.554 0.138 0.000 3.315 578 T HA 0.232 4.583 4.350 0.001 0.000 0.275 578 T C 0.478 175.251 174.700 0.122 0.000 1.598 578 T CA -0.460 61.722 62.100 0.136 0.000 1.368 578 T CB -0.621 68.328 68.868 0.134 0.000 1.079 578 T HN 0.822 nan 8.240 nan 0.000 0.703 579 R N 0.367 120.941 120.500 0.124 0.000 2.466 579 R HA 0.067 4.407 4.340 0.001 0.000 0.280 579 R C -0.726 175.543 176.300 -0.052 0.000 0.926 579 R CA -0.034 56.148 56.100 0.137 0.000 1.127 579 R CB -0.255 30.172 30.300 0.212 0.000 0.871 579 R HN 0.117 nan 8.270 nan 0.000 0.421 580 V N 4.332 124.228 119.914 -0.030 0.000 2.547 580 V HA 0.472 4.592 4.120 0.001 0.000 0.299 580 V C -0.315 175.631 176.094 -0.246 0.000 1.040 580 V CA -0.517 61.735 62.300 -0.079 0.000 0.913 580 V CB 1.138 32.981 31.823 0.033 0.000 0.992 580 V HN 0.594 nan 8.190 nan 0.000 0.449 581 F N 2.644 122.597 119.950 0.005 0.000 2.532 581 F HA 0.727 5.254 4.527 0.001 0.000 0.321 581 F C -0.182 175.598 175.800 -0.032 0.000 1.089 581 F CA -0.841 57.147 58.000 -0.020 0.000 0.926 581 F CB 2.246 41.163 39.000 -0.137 0.000 1.168 581 F HN 0.201 nan 8.300 nan 0.000 0.459 582 V N 3.668 123.767 119.914 0.310 0.000 2.612 582 V HA 0.310 4.431 4.120 0.001 0.000 0.301 582 V C -0.678 175.594 176.094 0.297 0.000 1.059 582 V CA -0.941 61.490 62.300 0.217 0.000 0.886 582 V CB 1.563 33.552 31.823 0.277 0.000 1.007 582 V HN 0.841 nan 8.190 nan 0.000 0.426 583 N N 4.386 123.276 118.700 0.317 0.000 2.710 583 N HA -0.200 4.540 4.740 0.001 0.000 0.249 583 N C 0.944 176.718 175.510 0.441 0.000 1.059 583 N CA 1.912 55.263 53.050 0.503 0.000 0.720 583 N CB -1.062 37.619 38.487 0.322 0.000 0.983 583 N HN 1.683 nan 8.380 nan 0.000 0.544 584 G N -2.828 106.255 108.800 0.471 0.000 2.160 584 G HA2 -0.216 3.744 3.960 0.001 0.000 0.244 584 G HA3 -0.216 3.744 3.960 0.001 0.000 0.244 584 G C -0.193 174.970 174.900 0.438 0.000 1.022 584 G CA 0.254 45.575 45.100 0.369 0.000 0.741 584 G HN 0.572 nan 8.290 nan 0.000 0.508 585 V N -0.630 119.537 119.914 0.422 0.000 2.823 585 V HA 0.717 4.837 4.120 0.001 0.000 0.312 585 V C -0.345 175.870 176.094 0.201 0.000 1.072 585 V CA -1.250 61.163 62.300 0.188 0.000 0.937 585 V CB 2.049 33.775 31.823 -0.163 0.000 1.013 585 V HN 0.304 nan 8.190 nan 0.000 0.430 586 W N 4.204 125.449 121.300 -0.091 0.000 2.311 586 W HA 0.474 5.134 4.660 0.001 0.000 0.317 586 W C 0.601 176.882 176.519 -0.398 0.000 1.065 586 W CA -0.707 56.444 57.345 -0.324 0.000 1.364 586 W CB 0.186 29.582 29.460 -0.107 0.000 1.233 586 W HN 0.658 nan 8.180 nan 0.000 0.409 587 H N 3.895 123.029 119.070 0.106 0.000 2.507 587 H HA 0.334 4.890 4.556 0.001 0.000 0.294 587 H C 1.210 176.442 175.328 -0.160 0.000 1.064 587 H CA 0.863 56.899 56.048 -0.020 0.000 1.138 587 H CB 0.089 29.866 29.762 0.024 0.000 1.515 587 H HN 0.594 nan 8.280 nan 0.000 0.547 588 G N -0.151 108.447 108.800 -0.336 0.000 2.342 588 G HA2 -0.111 3.849 3.960 0.001 0.000 0.220 588 G HA3 -0.111 3.849 3.960 0.001 0.000 0.220 588 G C -0.787 173.885 174.900 -0.380 0.000 1.243 588 G CA -0.256 44.543 45.100 -0.501 0.000 1.083 588 G HN 0.151 nan 8.290 nan 0.000 0.500 589 V N -1.082 118.682 119.914 -0.249 0.000 3.998 589 V HA 0.996 5.117 4.120 0.001 0.000 0.297 589 V C -0.110 176.048 176.094 0.107 0.000 1.378 589 V CA 0.350 62.609 62.300 -0.069 0.000 0.949 589 V CB 1.718 33.468 31.823 -0.122 0.000 1.258 589 V HN 1.912 nan 8.190 nan 0.000 0.471 590 H N -0.550 118.528 119.070 0.013 0.000 3.003 590 H HA 0.373 4.930 4.556 0.001 0.000 0.288 590 H C -0.304 175.058 175.328 0.057 0.000 1.152 590 H CA -0.573 55.499 56.048 0.040 0.000 1.625 590 H CB 0.890 30.686 29.762 0.056 0.000 2.121 590 H HN 0.531 nan 8.280 nan 0.000 0.483 591 R N 1.758 121.953 120.500 -0.510 0.000 2.244 591 R HA 0.101 4.441 4.340 0.001 0.000 0.111 591 R C 0.282 176.343 176.300 -0.400 0.000 0.601 591 R CA -0.415 55.486 56.100 -0.332 0.000 1.800 591 R CB -0.315 29.842 30.300 -0.239 0.000 0.620 591 R HN 0.689 nan 8.270 nan 0.000 0.671 592 N N 3.324 121.897 118.700 -0.212 0.000 2.106 592 N HA -0.094 4.647 4.740 0.001 0.000 0.284 592 N C -1.690 173.868 175.510 0.080 0.000 1.388 592 N CA -0.144 52.875 53.050 -0.052 0.000 0.944 592 N CB 0.514 38.995 38.487 -0.010 0.000 1.333 592 N HN 0.309 nan 8.380 nan 0.000 0.489 593 P HA 0.052 nan 4.420 nan 0.000 0.244 593 P C 1.071 178.493 177.300 0.204 0.000 1.191 593 P CA 0.302 63.619 63.100 0.363 0.000 0.829 593 P CB 0.100 31.992 31.700 0.321 0.000 1.008 594 A N 1.571 124.477 122.820 0.143 0.000 1.954 594 A HA -0.270 4.050 4.320 0.001 0.000 0.222 594 A C 2.389 180.037 177.584 0.106 0.000 1.199 594 A CA 1.999 54.098 52.037 0.103 0.000 0.657 594 A CB -1.217 17.833 19.000 0.083 0.000 0.823 594 A HN 0.167 nan 8.150 nan 0.000 0.463 595 R N -1.684 118.901 120.500 0.141 0.000 2.052 595 R HA 0.047 4.388 4.340 0.001 0.000 0.224 595 R C 2.191 178.580 176.300 0.148 0.000 1.149 595 R CA 1.011 57.200 56.100 0.148 0.000 0.962 595 R CB -0.709 29.699 30.300 0.180 0.000 0.856 595 R HN 0.484 nan 8.270 nan 0.000 0.433 596 L N 1.266 122.600 121.223 0.185 0.000 2.085 596 L HA -0.283 4.058 4.340 0.001 0.000 0.218 596 L C 2.216 179.095 176.870 0.015 0.000 1.080 596 L CA 1.939 56.828 54.840 0.081 0.000 0.776 596 L CB -0.468 41.525 42.059 -0.110 0.000 0.891 596 L HN 0.172 nan 8.230 nan 0.000 0.437 597 M N 0.109 119.730 119.600 0.036 0.000 2.139 597 M HA -0.213 4.268 4.480 0.001 0.000 0.260 597 M C 2.316 178.611 176.300 -0.008 0.000 1.078 597 M CA 2.314 57.617 55.300 0.005 0.000 1.106 597 M CB -0.864 31.755 32.600 0.032 0.000 1.275 597 M HN 0.431 nan 8.290 nan 0.000 0.425 598 E N -1.564 118.648 120.200 0.020 0.000 2.333 598 E HA -0.196 4.154 4.350 0.001 0.000 0.200 598 E C 1.196 177.792 176.600 -0.008 0.000 1.010 598 E CA 1.544 57.950 56.400 0.011 0.000 0.841 598 E CB -0.055 29.664 29.700 0.031 0.000 0.757 598 E HN 0.586 nan 8.360 nan 0.000 0.508 599 T N -0.042 114.505 114.554 -0.012 0.000 3.043 599 T HA 0.057 4.407 4.350 0.001 0.000 0.263 599 T C 1.493 176.094 174.700 -0.164 0.000 1.094 599 T CA 0.355 62.417 62.100 -0.062 0.000 1.127 599 T CB 0.161 69.008 68.868 -0.035 0.000 0.905 599 T HN 0.167 nan 8.240 nan 0.000 0.490 600 L N -0.172 120.949 121.223 -0.171 0.000 2.298 600 L HA 0.229 4.569 4.340 0.001 0.000 0.209 600 L C 2.668 179.432 176.870 -0.177 0.000 1.084 600 L CA 0.512 55.194 54.840 -0.262 0.000 0.816 600 L CB -0.258 41.639 42.059 -0.270 0.000 0.967 600 L HN 0.030 nan 8.230 nan 0.000 0.460 601 R N -0.261 120.177 120.500 -0.104 0.000 2.152 601 R HA -0.085 4.255 4.340 0.001 0.000 0.232 601 R C 1.853 178.113 176.300 -0.067 0.000 1.117 601 R CA 1.648 57.709 56.100 -0.065 0.000 0.981 601 R CB -0.231 30.054 30.300 -0.024 0.000 0.870 601 R HN 0.299 nan 8.270 nan 0.000 0.451 602 T N 0.653 115.165 114.554 -0.070 0.000 3.065 602 T HA 0.093 4.444 4.350 0.001 0.000 0.252 602 T C 1.536 176.193 174.700 -0.072 0.000 1.099 602 T CA 0.097 62.162 62.100 -0.058 0.000 1.063 602 T CB 0.243 69.090 68.868 -0.034 0.000 0.948 602 T HN 0.055 nan 8.240 nan 0.000 0.506 603 L N 1.332 122.488 121.223 -0.111 0.000 2.179 603 L HA 0.137 4.478 4.340 0.001 0.000 0.208 603 L C 2.568 179.370 176.870 -0.114 0.000 1.096 603 L CA 1.362 56.129 54.840 -0.122 0.000 0.779 603 L CB -0.529 41.392 42.059 -0.229 0.000 0.922 603 L HN 0.239 nan 8.230 nan 0.000 0.443 604 R N 0.378 120.805 120.500 -0.122 0.000 2.052 604 R HA -0.103 4.237 4.340 0.001 0.000 0.226 604 R C 2.030 178.273 176.300 -0.095 0.000 1.145 604 R CA 0.695 56.731 56.100 -0.107 0.000 0.952 604 R CB -0.172 30.067 30.300 -0.103 0.000 0.847 604 R HN 0.185 nan 8.270 nan 0.000 0.431 605 R N 0.468 120.916 120.500 -0.087 0.000 2.417 605 R HA -0.136 4.204 4.340 0.001 0.000 0.220 605 R C 1.887 178.140 176.300 -0.079 0.000 1.128 605 R CA 1.130 57.178 56.100 -0.088 0.000 1.048 605 R CB -0.063 30.194 30.300 -0.072 0.000 0.835 605 R HN 0.291 nan 8.270 nan 0.000 0.483 606 K N -0.871 119.490 120.400 -0.066 0.000 2.399 606 K HA 0.030 4.350 4.320 0.001 0.000 0.196 606 K C 0.718 177.291 176.600 -0.044 0.000 1.117 606 K CA 0.894 57.153 56.287 -0.046 0.000 0.965 606 K CB 0.952 33.435 32.500 -0.028 0.000 0.983 606 K HN 0.204 nan 8.250 nan 0.000 0.531 607 G N 1.596 110.363 108.800 -0.054 0.000 2.143 607 G HA2 -0.136 3.824 3.960 0.001 0.000 0.175 607 G HA3 -0.136 3.824 3.960 0.001 0.000 0.175 607 G C 0.086 174.969 174.900 -0.028 0.000 1.004 607 G CA 0.239 45.312 45.100 -0.044 0.000 0.671 607 G HN 0.338 nan 8.290 nan 0.000 0.512 608 D N 0.027 120.407 120.400 -0.034 0.000 2.271 608 D HA 0.147 4.787 4.640 0.001 0.000 0.206 608 D C 1.322 177.596 176.300 -0.043 0.000 0.967 608 D CA 0.679 54.667 54.000 -0.019 0.000 0.867 608 D CB 0.615 41.414 40.800 0.000 0.000 0.960 608 D HN 0.535 nan 8.370 nan 0.000 0.509 609 I N 1.660 122.180 120.570 -0.084 0.000 2.362 609 I HA 0.098 4.268 4.170 0.001 0.000 0.289 609 I C 0.358 176.433 176.117 -0.070 0.000 0.994 609 I CA -0.884 60.352 61.300 -0.105 0.000 1.158 609 I CB 1.391 39.285 38.000 -0.177 0.000 1.315 609 I HN -0.242 nan 8.210 nan 0.000 0.451 610 N N 8.364 127.042 118.700 -0.037 0.000 2.223 610 N HA -0.057 4.683 4.740 0.001 0.000 0.271 610 N C -1.666 173.822 175.510 -0.036 0.000 1.315 610 N CA -0.647 52.394 53.050 -0.015 0.000 0.835 610 N CB 1.004 39.502 38.487 0.018 0.000 1.066 610 N HN 0.340 nan 8.380 nan 0.000 0.486 611 P HA -0.177 nan 4.420 nan 0.000 0.220 611 P C 0.889 178.158 177.300 -0.051 0.000 1.142 611 P CA 1.104 64.137 63.100 -0.112 0.000 0.801 611 P CB 0.307 31.876 31.700 -0.219 0.000 0.764 612 E N -0.388 119.808 120.200 -0.007 0.000 2.014 612 E HA -0.060 4.291 4.350 0.001 0.000 0.190 612 E C 0.255 176.775 176.600 -0.134 0.000 0.980 612 E CA 0.294 56.624 56.400 -0.116 0.000 0.807 612 E CB -0.189 29.477 29.700 -0.057 0.000 0.770 612 E HN -0.180 nan 8.360 nan 0.000 0.451 613 V N 2.099 121.984 119.914 -0.047 0.000 2.902 613 V HA -0.150 3.970 4.120 0.001 0.000 0.297 613 V C 0.260 176.350 176.094 -0.007 0.000 1.230 613 V CA 1.009 63.304 62.300 -0.007 0.000 1.344 613 V CB 0.646 32.463 31.823 -0.010 0.000 0.889 613 V HN 0.421 nan 8.190 nan 0.000 0.515 614 S N 5.411 121.140 115.700 0.047 0.000 2.513 614 S HA 0.899 5.369 4.470 0.001 0.000 0.299 614 S C -0.951 173.666 174.600 0.028 0.000 1.087 614 S CA -1.035 57.198 58.200 0.054 0.000 1.012 614 S CB 1.859 65.128 63.200 0.115 0.000 1.044 614 S HN 0.555 nan 8.310 nan 0.000 0.485 615 M N 2.548 122.143 119.600 -0.007 0.000 2.327 615 M HA 0.585 5.065 4.480 0.001 0.000 0.298 615 M C -1.711 174.574 176.300 -0.025 0.000 1.065 615 M CA -0.511 54.758 55.300 -0.052 0.000 0.916 615 M CB 1.832 34.388 32.600 -0.073 0.000 1.630 615 M HN 0.517 nan 8.290 nan 0.000 0.442 616 I N 1.947 122.493 120.570 -0.041 0.000 2.498 616 I HA 0.494 4.664 4.170 0.001 0.000 0.290 616 I C -0.464 175.657 176.117 0.007 0.000 1.032 616 I CA -0.466 60.833 61.300 -0.002 0.000 1.073 616 I CB 2.107 40.115 38.000 0.013 0.000 1.251 616 I HN 0.657 nan 8.210 nan 0.000 0.426 617 R N 4.225 124.742 120.500 0.029 0.000 2.246 617 R HA 0.271 4.611 4.340 0.001 0.000 0.332 617 R C -0.816 175.515 176.300 0.051 0.000 0.974 617 R CA -0.356 55.770 56.100 0.042 0.000 0.837 617 R CB 0.597 30.925 30.300 0.047 0.000 1.145 617 R HN 0.595 nan 8.270 nan 0.000 0.467 618 D N 6.611 127.046 120.400 0.057 0.000 2.564 618 D HA 0.081 4.722 4.640 0.001 0.000 0.226 618 D C 1.411 177.752 176.300 0.068 0.000 1.149 618 D CA -0.126 53.910 54.000 0.060 0.000 0.994 618 D CB 0.459 41.296 40.800 0.062 0.000 1.029 618 D HN 0.630 nan 8.370 nan 0.000 0.517 619 I N 1.716 122.325 120.570 0.064 0.000 2.069 619 I HA -0.348 3.822 4.170 0.001 0.000 0.237 619 I C 2.319 178.476 176.117 0.068 0.000 1.053 619 I CA 1.117 62.456 61.300 0.066 0.000 1.311 619 I CB -0.130 37.904 38.000 0.058 0.000 1.030 619 I HN 0.239 nan 8.210 nan 0.000 0.398 620 R N 0.241 120.776 120.500 0.059 0.000 2.276 620 R HA -0.233 4.108 4.340 0.001 0.000 0.243 620 R C 1.674 178.013 176.300 0.066 0.000 1.161 620 R CA 1.286 57.420 56.100 0.057 0.000 1.007 620 R CB -0.296 30.032 30.300 0.046 0.000 0.867 620 R HN 0.362 nan 8.270 nan 0.000 0.472 621 E N 0.256 120.501 120.200 0.075 0.000 2.539 621 E HA 0.077 4.428 4.350 0.001 0.000 0.215 621 E C -0.652 176.017 176.600 0.116 0.000 0.965 621 E CA -0.015 56.439 56.400 0.090 0.000 1.019 621 E CB 0.458 30.208 29.700 0.083 0.000 1.059 621 E HN 0.032 nan 8.360 nan 0.000 0.496 622 K N 1.278 121.743 120.400 0.108 0.000 3.585 622 K HA -0.191 4.130 4.320 0.001 0.000 0.275 622 K C -1.051 175.626 176.600 0.129 0.000 1.026 622 K CA 0.873 57.233 56.287 0.120 0.000 0.800 622 K CB -1.377 31.207 32.500 0.140 0.000 1.401 622 K HN 0.242 nan 8.250 nan 0.000 0.453 623 E N 0.409 120.678 120.200 0.116 0.000 2.331 623 E HA 0.427 4.777 4.350 0.001 0.000 0.275 623 E C -1.378 175.287 176.600 0.109 0.000 0.895 623 E CA -1.152 55.325 56.400 0.129 0.000 0.753 623 E CB 1.943 31.746 29.700 0.171 0.000 1.216 623 E HN 0.057 nan 8.360 nan 0.000 0.434 624 L N 2.643 123.932 121.223 0.111 0.000 2.319 624 L HA 0.375 4.715 4.340 0.001 0.000 0.281 624 L C -1.214 175.702 176.870 0.077 0.000 1.005 624 L CA -0.464 54.416 54.840 0.067 0.000 0.828 624 L CB 0.765 42.850 42.059 0.042 0.000 1.227 624 L HN 0.290 nan 8.230 nan 0.000 0.415 625 K N 6.751 127.132 120.400 -0.031 0.000 2.265 625 K HA 0.562 4.883 4.320 0.001 0.000 0.267 625 K C -1.115 175.269 176.600 -0.360 0.000 0.994 625 K CA -0.331 55.818 56.287 -0.230 0.000 0.860 625 K CB 2.016 34.342 32.500 -0.289 0.000 1.099 625 K HN 0.578 nan 8.250 nan 0.000 0.448 626 I N 4.094 124.381 120.570 -0.470 0.000 2.478 626 I HA 0.362 4.533 4.170 0.001 0.000 0.287 626 I C -0.888 175.008 176.117 -0.368 0.000 1.042 626 I CA -0.693 60.410 61.300 -0.327 0.000 1.067 626 I CB 1.178 39.097 38.000 -0.135 0.000 1.233 626 I HN 0.404 nan 8.210 nan 0.000 0.431 627 F N 3.776 123.745 119.950 0.032 0.000 2.508 627 F HA 0.378 4.905 4.527 0.001 0.000 0.325 627 F C 1.096 176.906 175.800 0.016 0.000 1.090 627 F CA -0.453 57.565 58.000 0.030 0.000 0.945 627 F CB 2.343 41.354 39.000 0.019 0.000 1.156 627 F HN 0.313 nan 8.300 nan 0.000 0.463 628 T N -0.563 114.148 114.554 0.261 0.000 2.955 628 T HA -0.012 4.338 4.350 0.001 0.000 0.251 628 T C 0.118 174.888 174.700 0.115 0.000 1.002 628 T CA -0.104 62.081 62.100 0.141 0.000 0.970 628 T CB -0.136 68.798 68.868 0.110 0.000 1.091 628 T HN 0.525 nan 8.240 nan 0.000 0.495 629 D N 2.166 122.635 120.400 0.115 0.000 2.777 629 D HA -0.049 4.591 4.640 0.001 0.000 0.218 629 D C -0.067 176.252 176.300 0.032 0.000 1.153 629 D CA 0.509 54.531 54.000 0.037 0.000 0.846 629 D CB 0.445 41.197 40.800 -0.080 0.000 1.209 629 D HN 0.336 nan 8.370 nan 0.000 0.517 630 A N 1.991 124.828 122.820 0.028 0.000 2.294 630 A HA 0.572 4.892 4.320 0.001 0.000 0.316 630 A C 0.897 178.489 177.584 0.013 0.000 1.359 630 A CA 0.369 52.431 52.037 0.042 0.000 0.956 630 A CB 0.503 19.538 19.000 0.059 0.000 1.155 630 A HN 0.740 nan 8.150 nan 0.000 0.544 631 G N 2.443 111.252 108.800 0.014 0.000 2.207 631 G HA2 -0.078 3.883 3.960 0.001 0.000 0.193 631 G HA3 -0.078 3.883 3.960 0.001 0.000 0.193 631 G C -0.143 174.718 174.900 -0.065 0.000 1.050 631 G CA -0.787 44.297 45.100 -0.027 0.000 0.780 631 G HN 0.750 nan 8.290 nan 0.000 0.504 632 R N 0.331 120.829 120.500 -0.003 0.000 2.294 632 R HA 0.571 4.911 4.340 0.001 0.000 0.319 632 R C 0.132 176.468 176.300 0.061 0.000 0.984 632 R CA -0.686 55.409 56.100 -0.008 0.000 0.861 632 R CB 2.318 32.645 30.300 0.044 0.000 1.104 632 R HN 0.053 nan 8.270 nan 0.000 0.451 633 V N 5.069 124.961 119.914 -0.038 0.000 2.508 633 V HA 0.150 4.270 4.120 0.001 0.000 0.281 633 V C -0.543 175.625 176.094 0.123 0.000 1.041 633 V CA -0.063 62.237 62.300 0.000 0.000 1.016 633 V CB -0.083 31.814 31.823 0.123 0.000 0.984 633 V HN 0.660 nan 8.190 nan 0.000 0.478 634 Y N 4.562 124.864 120.300 0.003 0.000 2.492 634 Y HA 0.852 5.403 4.550 0.001 0.000 0.346 634 Y C -0.321 175.535 175.900 -0.073 0.000 0.997 634 Y CA -1.620 56.471 58.100 -0.016 0.000 1.025 634 Y CB 1.303 39.736 38.460 -0.044 0.000 1.263 634 Y HN 0.661 nan 8.280 nan 0.000 0.454 635 R N 2.160 122.755 120.500 0.157 0.000 2.981 635 R HA 0.806 5.146 4.340 0.001 0.000 0.228 635 R C -3.102 173.284 176.300 0.144 0.000 1.421 635 R CA -1.906 54.228 56.100 0.056 0.000 1.073 635 R CB 1.757 32.084 30.300 0.044 0.000 1.568 635 R HN 0.546 nan 8.270 nan 0.000 0.514 636 P HA 0.527 nan 4.420 nan 0.000 0.305 636 P C -1.251 176.076 177.300 0.046 0.000 1.390 636 P CA -0.742 62.469 63.100 0.185 0.000 1.054 636 P CB 2.516 34.293 31.700 0.128 0.000 1.335 637 L N 1.850 123.126 121.223 0.088 0.000 2.415 637 L HA 0.515 4.855 4.340 0.001 0.000 0.256 637 L C -0.028 176.929 176.870 0.145 0.000 1.010 637 L CA -1.039 53.819 54.840 0.030 0.000 0.826 637 L CB 2.319 44.438 42.059 0.101 0.000 1.405 637 L HN 0.295 nan 8.230 nan 0.000 0.410 638 F N 1.732 121.733 119.950 0.086 0.000 2.389 638 F HA 0.403 4.930 4.527 0.001 0.000 0.337 638 F C 0.452 176.268 175.800 0.026 0.000 1.112 638 F CA -0.637 57.374 58.000 0.018 0.000 1.192 638 F CB 1.112 40.104 39.000 -0.014 0.000 1.185 638 F HN 0.136 nan 8.300 nan 0.000 0.552 639 I N 2.478 123.129 120.570 0.136 0.000 2.488 639 I HA 0.155 4.326 4.170 0.001 0.000 0.299 639 I C 0.303 176.364 176.117 -0.094 0.000 0.984 639 I CA -0.437 60.802 61.300 -0.102 0.000 1.250 639 I CB 1.855 39.770 38.000 -0.141 0.000 1.389 639 I HN 0.404 nan 8.210 nan 0.000 0.488 640 V N 1.722 121.554 119.914 -0.138 0.000 3.605 640 V HA 0.064 4.184 4.120 0.001 0.000 0.284 640 V C 0.334 176.384 176.094 -0.073 0.000 1.386 640 V CA -0.121 62.139 62.300 -0.067 0.000 1.053 640 V CB -0.557 31.275 31.823 0.016 0.000 0.857 640 V HN 0.682 nan 8.190 nan 0.000 0.436 641 E N 3.082 123.225 120.200 -0.095 0.000 3.377 641 E HA -0.221 4.129 4.350 0.001 0.000 0.294 641 E C 1.114 177.678 176.600 -0.060 0.000 0.760 641 E CA 0.930 57.288 56.400 -0.069 0.000 1.073 641 E CB 0.029 29.687 29.700 -0.070 0.000 0.770 641 E HN 0.741 nan 8.360 nan 0.000 0.523 642 D N 2.336 122.710 120.400 -0.044 0.000 2.411 642 D HA -0.212 4.429 4.640 0.001 0.000 0.226 642 D C -0.247 176.023 176.300 -0.050 0.000 0.988 642 D CA 0.263 54.231 54.000 -0.054 0.000 0.938 642 D CB -0.034 40.754 40.800 -0.020 0.000 0.883 642 D HN 0.209 nan 8.370 nan 0.000 0.525 643 D N 1.746 122.122 120.400 -0.040 0.000 2.773 643 D HA -0.044 4.596 4.640 0.001 0.000 0.225 643 D C -0.118 176.162 176.300 -0.034 0.000 1.065 643 D CA 0.677 54.660 54.000 -0.028 0.000 1.308 643 D CB -0.245 40.541 40.800 -0.024 0.000 1.144 643 D HN 0.291 nan 8.370 nan 0.000 0.462 644 E N 0.143 120.320 120.200 -0.038 0.000 2.593 644 E HA 0.043 4.393 4.350 0.001 0.000 0.232 644 E C 0.788 177.379 176.600 -0.015 0.000 1.026 644 E CA -0.198 56.179 56.400 -0.038 0.000 0.772 644 E CB 0.917 30.570 29.700 -0.079 0.000 1.310 644 E HN 0.120 nan 8.360 nan 0.000 0.413 645 S N 2.097 117.794 115.700 -0.005 0.000 2.488 645 S HA -0.111 4.360 4.470 0.001 0.000 0.246 645 S C 1.171 175.779 174.600 0.013 0.000 0.992 645 S CA 0.595 58.798 58.200 0.006 0.000 0.963 645 S CB -0.119 63.084 63.200 0.006 0.000 0.754 645 S HN 0.467 nan 8.310 nan 0.000 0.519 646 L N 1.881 123.112 121.223 0.013 0.000 3.048 646 L HA 0.567 4.907 4.340 0.001 0.000 0.234 646 L C 0.994 177.894 176.870 0.049 0.000 1.318 646 L CA -0.062 54.794 54.840 0.026 0.000 1.109 646 L CB -0.178 41.893 42.059 0.019 0.000 1.480 646 L HN 0.582 nan 8.230 nan 0.000 0.495 647 G N -0.822 108.016 108.800 0.063 0.000 2.265 647 G HA2 -0.136 3.825 3.960 0.001 0.000 0.246 647 G HA3 -0.136 3.825 3.960 0.001 0.000 0.246 647 G C -0.197 174.787 174.900 0.140 0.000 1.299 647 G CA -0.224 44.955 45.100 0.132 0.000 1.117 647 G HN 0.317 nan 8.290 nan 0.000 0.485 648 H N 0.912 120.000 119.070 0.030 0.000 2.339 648 H HA 0.597 5.153 4.556 0.001 0.000 0.228 648 H C 0.571 175.922 175.328 0.039 0.000 1.581 648 H CA 0.856 56.927 56.048 0.038 0.000 1.507 648 H CB -0.443 29.351 29.762 0.054 0.000 1.679 648 H HN 0.583 nan 8.280 nan 0.000 0.726 649 K N -0.195 120.053 120.400 -0.254 0.000 2.098 649 K HA 0.313 4.633 4.320 0.001 0.000 0.261 649 K C -0.777 175.553 176.600 -0.451 0.000 0.987 649 K CA -0.229 55.930 56.287 -0.213 0.000 0.916 649 K CB 0.807 33.332 32.500 0.041 0.000 1.039 649 K HN 0.687 nan 8.250 nan 0.000 0.455 650 E N 2.208 122.266 120.200 -0.236 0.000 2.401 650 E HA 0.180 4.531 4.350 0.001 0.000 0.283 650 E C -1.629 174.901 176.600 -0.117 0.000 1.053 650 E CA -0.537 55.747 56.400 -0.193 0.000 0.842 650 E CB 0.561 30.107 29.700 -0.257 0.000 1.222 650 E HN 0.436 nan 8.360 nan 0.000 0.429 651 L N 4.524 125.686 121.223 -0.102 0.000 2.640 651 L HA 0.014 4.354 4.340 0.001 0.000 0.280 651 L C 1.580 178.360 176.870 -0.150 0.000 1.229 651 L CA 0.345 55.106 54.840 -0.131 0.000 0.919 651 L CB 0.267 42.214 42.059 -0.187 0.000 1.168 651 L HN 0.651 nan 8.230 nan 0.000 0.496 652 K N 2.177 122.482 120.400 -0.157 0.000 2.147 652 K HA -0.060 4.260 4.320 0.001 0.000 0.205 652 K C 0.425 176.919 176.600 -0.177 0.000 1.049 652 K CA 0.766 56.968 56.287 -0.142 0.000 0.936 652 K CB 0.045 32.460 32.500 -0.142 0.000 0.722 652 K HN 0.401 nan 8.250 nan 0.000 0.446 653 V N 2.545 122.273 119.914 -0.310 0.000 2.775 653 V HA 0.068 4.188 4.120 0.001 0.000 0.299 653 V C 0.441 176.474 176.094 -0.102 0.000 1.062 653 V CA -0.077 62.016 62.300 -0.345 0.000 1.063 653 V CB 1.086 32.566 31.823 -0.571 0.000 0.994 653 V HN 0.229 nan 8.190 nan 0.000 0.483 654 R N 2.191 122.803 120.500 0.185 0.000 2.836 654 R HA 0.373 4.713 4.340 0.001 0.000 0.269 654 R C 0.605 176.960 176.300 0.093 0.000 1.010 654 R CA -1.092 55.067 56.100 0.098 0.000 0.930 654 R CB 0.916 31.266 30.300 0.083 0.000 1.218 654 R HN 0.570 nan 8.270 nan 0.000 0.473 655 K N 0.563 120.987 120.400 0.040 0.000 2.520 655 K HA -0.141 4.179 4.320 0.001 0.000 0.198 655 K C 1.463 178.084 176.600 0.036 0.000 1.045 655 K CA 1.859 58.172 56.287 0.043 0.000 0.934 655 K CB -0.259 32.258 32.500 0.029 0.000 0.766 655 K HN 0.739 nan 8.250 nan 0.000 0.483 656 G N -0.814 107.984 108.800 -0.003 0.000 2.408 656 G HA2 -0.165 3.796 3.960 0.001 0.000 0.213 656 G HA3 -0.165 3.796 3.960 0.001 0.000 0.213 656 G C 1.039 175.910 174.900 -0.048 0.000 1.177 656 G CA 0.180 45.237 45.100 -0.072 0.000 0.802 656 G HN 0.320 nan 8.290 nan 0.000 0.533 657 H N 0.618 119.722 119.070 0.056 0.000 2.353 657 H HA -0.056 4.500 4.556 0.001 0.000 0.298 657 H C 2.631 178.106 175.328 0.245 0.000 1.103 657 H CA 1.356 57.514 56.048 0.183 0.000 1.293 657 H CB -0.093 29.756 29.762 0.145 0.000 1.372 657 H HN 0.287 nan 8.280 nan 0.000 0.501 658 I N 0.629 121.355 120.570 0.261 0.000 2.058 658 I HA -0.267 3.903 4.170 0.001 0.000 0.235 658 I C 2.809 179.038 176.117 0.187 0.000 1.053 658 I CA 1.157 62.582 61.300 0.210 0.000 1.313 658 I CB -0.420 37.670 38.000 0.149 0.000 1.039 658 I HN 0.160 nan 8.210 nan 0.000 0.396 659 A N -0.027 122.866 122.820 0.122 0.000 2.084 659 A HA -0.269 4.052 4.320 0.001 0.000 0.221 659 A C 2.243 179.885 177.584 0.096 0.000 1.161 659 A CA 1.698 53.789 52.037 0.090 0.000 0.653 659 A CB -0.586 18.440 19.000 0.043 0.000 0.802 659 A HN 0.403 nan 8.150 nan 0.000 0.457 660 K N -0.897 119.571 120.400 0.113 0.000 2.444 660 K HA 0.256 4.576 4.320 0.001 0.000 0.193 660 K C 1.296 178.070 176.600 0.291 0.000 1.024 660 K CA 0.145 56.477 56.287 0.075 0.000 1.077 660 K CB -0.079 32.327 32.500 -0.156 0.000 0.833 660 K HN 0.527 nan 8.250 nan 0.000 0.517 661 L N -0.303 121.130 121.223 0.350 0.000 2.347 661 L HA 0.102 4.443 4.340 0.001 0.000 0.196 661 L C 1.990 179.014 176.870 0.256 0.000 1.072 661 L CA 0.262 55.319 54.840 0.362 0.000 0.817 661 L CB -0.094 42.148 42.059 0.305 0.000 1.029 661 L HN 0.131 nan 8.230 nan 0.000 0.478 662 M N -0.087 119.643 119.600 0.216 0.000 2.706 662 M HA -0.143 4.337 4.480 0.001 0.000 0.253 662 M C 2.015 178.424 176.300 0.181 0.000 1.063 662 M CA 1.096 56.509 55.300 0.188 0.000 1.067 662 M CB -0.431 32.262 32.600 0.155 0.000 1.423 662 M HN 0.316 nan 8.290 nan 0.000 0.530 663 A N -0.097 122.829 122.820 0.177 0.000 1.935 663 A HA -0.041 4.279 4.320 0.001 0.000 0.214 663 A C 2.142 179.849 177.584 0.207 0.000 1.178 663 A CA 1.386 53.522 52.037 0.166 0.000 0.640 663 A CB -0.578 18.493 19.000 0.118 0.000 0.825 663 A HN 0.389 nan 8.150 nan 0.000 0.447 664 T N -0.337 114.342 114.554 0.207 0.000 3.023 664 T HA -0.016 4.335 4.350 0.001 0.000 0.266 664 T C 1.648 176.455 174.700 0.180 0.000 1.093 664 T CA 1.015 63.230 62.100 0.191 0.000 1.129 664 T CB -0.021 68.973 68.868 0.211 0.000 0.899 664 T HN 0.532 nan 8.240 nan 0.000 0.491 665 E N 0.377 120.697 120.200 0.201 0.000 2.047 665 E HA -0.129 4.221 4.350 0.001 0.000 0.191 665 E C 1.850 178.561 176.600 0.185 0.000 0.987 665 E CA 0.920 57.431 56.400 0.186 0.000 0.799 665 E CB -0.205 29.613 29.700 0.197 0.000 0.752 665 E HN 0.500 nan 8.360 nan 0.000 0.449 666 Y N 1.841 122.188 120.300 0.078 0.000 2.256 666 Y HA -0.177 4.373 4.550 0.001 0.000 0.288 666 Y C 1.152 177.082 175.900 0.050 0.000 1.155 666 Y CA 1.343 59.478 58.100 0.058 0.000 1.203 666 Y CB 0.005 38.497 38.460 0.054 0.000 0.980 666 Y HN -0.024 nan 8.280 nan 0.000 0.530 667 Q N 1.687 121.490 119.800 0.006 0.000 2.945 667 Q HA 0.090 4.431 4.340 0.001 0.000 0.323 667 Q C -0.847 175.119 176.000 -0.057 0.000 1.188 667 Q CA 0.118 55.875 55.803 -0.076 0.000 0.929 667 Q CB -0.142 28.609 28.738 0.022 0.000 1.531 667 Q HN 0.406 nan 8.270 nan 0.000 0.444 679 Y N 3.940 124.296 120.300 0.093 0.000 2.854 679 Y HA 0.364 4.914 4.550 0.001 0.000 0.330 679 Y C 0.529 176.508 175.900 0.133 0.000 1.037 679 Y CA -0.473 57.687 58.100 0.100 0.000 1.263 679 Y CB 0.394 38.913 38.460 0.098 0.000 1.120 679 Y HN 0.218 nan 8.280 nan 0.000 0.532 680 T N 0.909 115.502 114.554 0.065 0.000 3.133 680 T HA -0.001 4.349 4.350 0.001 0.000 0.329 680 T C 1.179 175.904 174.700 0.042 0.000 1.248 680 T CA -0.148 62.005 62.100 0.089 0.000 0.933 680 T CB 0.166 69.124 68.868 0.149 0.000 1.943 680 T HN 0.719 nan 8.240 nan 0.000 0.572 681 W N 0.125 121.419 121.300 -0.010 0.000 2.560 681 W HA 0.020 4.680 4.660 0.001 0.000 0.303 681 W C 2.362 178.859 176.519 -0.037 0.000 1.151 681 W CA 0.861 58.206 57.345 -0.001 0.000 1.426 681 W CB -0.643 28.889 29.460 0.120 0.000 1.135 681 W HN 0.606 nan 8.180 nan 0.000 0.522 682 S N 1.018 116.804 115.700 0.144 0.000 2.434 682 S HA -0.292 4.179 4.470 0.001 0.000 0.243 682 S C 1.978 176.501 174.600 -0.129 0.000 1.045 682 S CA 2.339 60.545 58.200 0.010 0.000 1.019 682 S CB -0.443 62.819 63.200 0.103 0.000 0.811 682 S HN 0.513 nan 8.310 nan 0.000 0.485 683 S N 1.372 116.982 115.700 -0.150 0.000 2.335 683 S HA 0.020 4.490 4.470 0.001 0.000 0.217 683 S C 1.720 176.154 174.600 -0.277 0.000 1.032 683 S CA 0.913 59.021 58.200 -0.153 0.000 0.985 683 S CB -0.750 62.359 63.200 -0.152 0.000 0.896 683 S HN 0.400 nan 8.310 nan 0.000 0.445 684 L N 0.882 121.818 121.223 -0.478 0.000 2.263 684 L HA -0.017 4.323 4.340 0.001 0.000 0.216 684 L C 2.428 178.980 176.870 -0.529 0.000 1.111 684 L CA 0.849 55.375 54.840 -0.523 0.000 0.773 684 L CB -0.682 40.977 42.059 -0.667 0.000 0.906 684 L HN 0.336 nan 8.230 nan 0.000 0.439 685 L N -0.904 119.978 121.223 -0.567 0.000 2.145 685 L HA 0.061 4.401 4.340 0.001 0.000 0.201 685 L C 1.909 178.613 176.870 -0.277 0.000 1.075 685 L CA 1.511 56.064 54.840 -0.480 0.000 0.773 685 L CB -0.530 41.206 42.059 -0.537 0.000 0.936 685 L HN 0.182 nan 8.230 nan 0.000 0.451 686 N N 0.313 118.894 118.700 -0.198 0.000 2.521 686 N HA -0.058 4.683 4.740 0.001 0.000 0.188 686 N C 0.472 175.934 175.510 -0.081 0.000 1.146 686 N CA 0.431 53.415 53.050 -0.111 0.000 0.893 686 N CB 0.109 38.560 38.487 -0.060 0.000 0.975 686 N HN 0.559 nan 8.380 nan 0.000 0.451 687 E N -0.172 119.964 120.200 -0.106 0.000 2.585 687 E HA 0.156 4.507 4.350 0.001 0.000 0.206 687 E C 0.024 176.561 176.600 -0.104 0.000 1.007 687 E CA -0.482 55.882 56.400 -0.060 0.000 1.028 687 E CB 0.222 29.921 29.700 -0.001 0.000 1.087 687 E HN 0.176 nan 8.360 nan 0.000 0.455 688 G N 1.769 110.493 108.800 -0.128 0.000 2.332 688 G HA2 -0.256 3.704 3.960 0.001 0.000 0.277 688 G HA3 -0.256 3.704 3.960 0.001 0.000 0.277 688 G C 0.499 175.311 174.900 -0.146 0.000 0.884 688 G CA 0.583 45.606 45.100 -0.128 0.000 1.251 688 G HN 0.373 nan 8.290 nan 0.000 0.462 689 L N -1.539 119.563 121.223 -0.201 0.000 2.840 689 L HA 0.333 4.673 4.340 0.001 0.000 0.249 689 L C 0.441 177.235 176.870 -0.128 0.000 1.119 689 L CA 0.055 54.764 54.840 -0.219 0.000 0.930 689 L CB 0.651 42.494 42.059 -0.361 0.000 1.295 689 L HN 0.187 nan 8.230 nan 0.000 0.534 690 V N -0.197 119.627 119.914 -0.151 0.000 2.808 690 V HA 0.381 4.501 4.120 0.001 0.000 0.308 690 V C -0.950 175.083 176.094 -0.102 0.000 1.099 690 V CA -0.688 61.574 62.300 -0.064 0.000 0.920 690 V CB 2.990 34.703 31.823 -0.184 0.000 1.014 690 V HN 0.041 nan 8.190 nan 0.000 0.425 691 E N 1.634 121.861 120.200 0.045 0.000 2.336 691 E HA 0.490 4.841 4.350 0.001 0.000 0.267 691 E C -1.612 175.104 176.600 0.194 0.000 0.906 691 E CA -0.806 55.619 56.400 0.042 0.000 0.781 691 E CB 2.311 32.086 29.700 0.124 0.000 1.261 691 E HN 0.720 nan 8.360 nan 0.000 0.436 692 Y N 2.819 123.138 120.300 0.030 0.000 2.595 692 Y HA 0.284 4.834 4.550 0.001 0.000 0.347 692 Y C 0.003 175.903 175.900 0.001 0.000 1.025 692 Y CA -0.646 57.473 58.100 0.032 0.000 1.295 692 Y CB 0.444 38.812 38.460 -0.154 0.000 1.147 692 Y HN 0.229 nan 8.280 nan 0.000 0.515 693 I N 5.236 125.929 120.570 0.205 0.000 2.307 693 I HA 0.060 4.230 4.170 0.001 0.000 0.289 693 I C 0.083 176.301 176.117 0.168 0.000 1.021 693 I CA -0.697 60.668 61.300 0.108 0.000 1.224 693 I CB 0.518 38.510 38.000 -0.014 0.000 1.376 693 I HN 0.621 nan 8.210 nan 0.000 0.470 694 D N 5.894 126.398 120.400 0.173 0.000 2.440 694 D HA 0.180 4.821 4.640 0.001 0.000 0.269 694 D C 1.088 177.506 176.300 0.196 0.000 1.249 694 D CA -0.448 53.679 54.000 0.212 0.000 1.055 694 D CB 0.822 41.740 40.800 0.197 0.000 1.104 694 D HN 0.423 nan 8.370 nan 0.000 0.561 695 A N -0.391 122.566 122.820 0.228 0.000 1.858 695 A HA -0.205 4.116 4.320 0.001 0.000 0.216 695 A C 2.059 179.804 177.584 0.268 0.000 1.190 695 A CA 2.173 54.376 52.037 0.276 0.000 0.617 695 A CB -1.040 18.178 19.000 0.364 0.000 0.827 695 A HN 0.676 nan 8.150 nan 0.000 0.443 696 E N 0.059 120.388 120.200 0.215 0.000 2.035 696 E HA -0.259 4.092 4.350 0.001 0.000 0.204 696 E C 1.971 178.663 176.600 0.153 0.000 1.025 696 E CA 2.125 58.625 56.400 0.166 0.000 0.835 696 E CB -0.346 29.457 29.700 0.172 0.000 0.764 696 E HN 0.687 nan 8.360 nan 0.000 0.457 697 E N -0.211 120.070 120.200 0.135 0.000 2.110 697 E HA -0.244 4.106 4.350 0.001 0.000 0.193 697 E C 2.014 178.661 176.600 0.078 0.000 0.988 697 E CA 1.110 57.565 56.400 0.092 0.000 0.804 697 E CB -0.149 29.593 29.700 0.071 0.000 0.745 697 E HN 0.374 nan 8.360 nan 0.000 0.458 698 E N 0.329 120.584 120.200 0.093 0.000 2.233 698 E HA -0.263 4.088 4.350 0.001 0.000 0.199 698 E C 1.817 178.467 176.600 0.083 0.000 1.004 698 E CA 1.021 57.466 56.400 0.075 0.000 0.819 698 E CB 0.121 29.892 29.700 0.118 0.000 0.738 698 E HN 0.188 nan 8.360 nan 0.000 0.478 699 E N 0.316 120.590 120.200 0.123 0.000 2.058 699 E HA -0.143 4.208 4.350 0.001 0.000 0.194 699 E C 1.475 178.125 176.600 0.083 0.000 0.997 699 E CA 1.436 57.911 56.400 0.124 0.000 0.801 699 E CB -0.187 29.611 29.700 0.163 0.000 0.746 699 E HN 0.256 nan 8.360 nan 0.000 0.450 700 S N 0.614 116.360 115.700 0.076 0.000 2.945 700 S HA 0.391 4.861 4.470 0.001 0.000 0.227 700 S C 0.610 175.253 174.600 0.072 0.000 1.353 700 S CA -0.594 57.646 58.200 0.067 0.000 1.236 700 S CB -1.092 62.147 63.200 0.064 0.000 1.069 700 S HN 0.288 nan 8.310 nan 0.000 0.509 701 I N -2.368 118.245 120.570 0.070 0.000 3.181 701 I HA 0.779 4.950 4.170 0.001 0.000 0.311 701 I C -2.107 174.067 176.117 0.095 0.000 1.287 701 I CA -1.638 59.724 61.300 0.103 0.000 0.958 701 I CB 1.738 39.790 38.000 0.087 0.000 1.294 701 I HN 0.182 nan 8.210 nan 0.000 0.467 702 L N 3.701 125.010 121.223 0.144 0.000 2.341 702 L HA 0.776 5.117 4.340 0.001 0.000 0.267 702 L C -1.453 175.556 176.870 0.232 0.000 1.009 702 L CA -0.553 54.371 54.840 0.140 0.000 0.819 702 L CB 1.879 43.995 42.059 0.095 0.000 1.323 702 L HN 0.632 nan 8.230 nan 0.000 0.425 703 I N 2.914 123.616 120.570 0.219 0.000 2.647 703 I HA 0.704 4.874 4.170 0.001 0.000 0.295 703 I C -0.496 175.701 176.117 0.134 0.000 1.078 703 I CA -0.989 60.424 61.300 0.189 0.000 1.048 703 I CB 2.063 40.108 38.000 0.073 0.000 1.239 703 I HN 0.785 nan 8.210 nan 0.000 0.421 704 A N 4.471 127.262 122.820 -0.048 0.000 2.301 704 A HA 0.547 4.868 4.320 0.001 0.000 0.312 704 A C 0.473 177.938 177.584 -0.198 0.000 1.182 704 A CA -0.455 51.361 52.037 -0.369 0.000 0.826 704 A CB 1.230 19.816 19.000 -0.691 0.000 1.134 704 A HN 0.808 nan 8.150 nan 0.000 0.501 705 M N 0.998 120.477 119.600 -0.201 0.000 2.074 705 M HA -0.034 4.446 4.480 0.001 0.000 0.259 705 M C 0.918 177.121 176.300 -0.161 0.000 1.079 705 M CA 1.964 57.168 55.300 -0.160 0.000 1.119 705 M CB -0.381 32.119 32.600 -0.167 0.000 1.297 705 M HN 0.755 nan 8.290 nan 0.000 0.416 706 Q N 0.305 120.005 119.800 -0.167 0.000 2.256 706 Q HA 0.234 4.574 4.340 0.001 0.000 0.257 706 Q C -1.807 174.126 176.000 -0.113 0.000 0.936 706 Q CA -1.849 53.879 55.803 -0.126 0.000 0.903 706 Q CB 1.213 29.885 28.738 -0.110 0.000 1.263 706 Q HN 0.198 nan 8.270 nan 0.000 0.440 707 P HA -0.263 nan 4.420 nan 0.000 0.216 707 P C 0.120 177.390 177.300 -0.051 0.000 1.150 707 P CA 1.560 64.652 63.100 -0.014 0.000 0.837 707 P CB 0.457 32.198 31.700 0.068 0.000 0.786 708 E N -0.028 120.143 120.200 -0.048 0.000 2.928 708 E HA -0.062 4.288 4.350 0.001 0.000 0.352 708 E C 1.591 178.118 176.600 -0.121 0.000 0.523 708 E CA -0.344 56.021 56.400 -0.058 0.000 2.011 708 E CB -1.234 28.448 29.700 -0.031 0.000 1.898 708 E HN -0.140 nan 8.360 nan 0.000 0.516 709 D N 0.801 121.122 120.400 -0.130 0.000 7.136 709 D HA -0.241 4.399 4.640 0.001 0.000 0.223 709 D C 1.398 177.495 176.300 -0.339 0.000 1.984 709 D CA 1.839 55.716 54.000 -0.204 0.000 0.688 709 D CB -0.344 40.376 40.800 -0.134 0.000 0.682 709 D HN 0.284 nan 8.370 nan 0.000 0.940 710 L N 0.559 121.630 121.223 -0.253 0.000 2.998 710 L HA 0.136 4.477 4.340 0.001 0.000 0.234 710 L C 1.272 178.028 176.870 -0.190 0.000 1.350 710 L CA 0.066 54.763 54.840 -0.239 0.000 1.202 710 L CB 0.130 41.985 42.059 -0.341 0.000 1.583 710 L HN -0.032 nan 8.230 nan 0.000 0.456 711 E N -0.635 119.490 120.200 -0.126 0.000 3.383 711 E HA 0.157 4.507 4.350 0.001 0.000 0.256 711 E C -1.789 174.861 176.600 0.084 0.000 1.197 711 E CA -0.060 56.387 56.400 0.078 0.000 1.851 711 E CB -0.294 29.453 29.700 0.080 0.000 2.128 711 E HN 0.257 nan 8.360 nan 0.000 0.951 712 P HA 0.117 nan 4.420 nan 0.000 0.281 712 P C -0.134 177.127 177.300 -0.065 0.000 1.274 712 P CA 0.202 63.236 63.100 -0.110 0.000 0.794 712 P CB 0.511 32.161 31.700 -0.082 0.000 1.201 713 A N -0.642 122.138 122.820 -0.067 0.000 2.257 713 A HA 0.325 4.645 4.320 0.001 0.000 0.290 713 A C 0.066 177.714 177.584 0.106 0.000 1.201 713 A CA -0.347 51.700 52.037 0.017 0.000 0.863 713 A CB -0.024 18.955 19.000 -0.035 0.000 1.256 713 A HN 0.637 nan 8.150 nan 0.000 0.506 714 E N -0.705 119.550 120.200 0.092 0.000 2.279 714 E HA 0.542 4.892 4.350 0.001 0.000 0.252 714 E C -0.578 176.049 176.600 0.045 0.000 0.894 714 E CA -0.554 55.900 56.400 0.091 0.000 0.785 714 E CB 1.212 30.961 29.700 0.082 0.000 1.237 714 E HN 0.846 nan 8.360 nan 0.000 0.418 723 V N 3.163 123.091 119.914 0.023 0.000 2.435 723 V HA 0.270 4.390 4.120 0.001 0.000 0.290 723 V C 0.141 176.250 176.094 0.025 0.000 1.030 723 V CA -0.787 61.529 62.300 0.025 0.000 0.881 723 V CB 2.094 33.933 31.823 0.027 0.000 0.983 723 V HN 0.042 nan 8.190 nan 0.000 0.445 724 D N 6.501 126.918 120.400 0.028 0.000 2.583 724 D HA 0.015 4.655 4.640 0.001 0.000 0.232 724 D C -1.386 174.930 176.300 0.028 0.000 1.128 724 D CA -0.263 53.755 54.000 0.029 0.000 0.859 724 D CB 1.584 42.404 40.800 0.034 0.000 1.169 724 D HN 0.429 nan 8.370 nan 0.000 0.481 725 P HA 0.132 nan 4.420 nan 0.000 0.257 725 P C 0.064 177.379 177.300 0.024 0.000 1.325 725 P CA 0.073 63.187 63.100 0.023 0.000 0.850 725 P CB 0.693 32.405 31.700 0.020 0.000 1.324 726 A N -0.165 122.672 122.820 0.028 0.000 1.997 726 A HA 0.177 4.497 4.320 0.001 0.000 0.198 726 A C 1.243 178.849 177.584 0.037 0.000 1.449 726 A CA 0.218 52.272 52.037 0.030 0.000 0.908 726 A CB -0.047 18.970 19.000 0.028 0.000 0.984 726 A HN 0.029 nan 8.150 nan 0.000 0.487 727 K N 0.875 121.300 120.400 0.042 0.000 2.170 727 K HA 0.131 4.451 4.320 0.001 0.000 0.241 727 K C 0.820 177.450 176.600 0.049 0.000 1.071 727 K CA 0.147 56.466 56.287 0.052 0.000 0.822 727 K CB 0.182 32.715 32.500 0.054 0.000 1.097 727 K HN 0.596 nan 8.250 nan 0.000 0.522 728 R N 0.065 120.598 120.500 0.054 0.000 2.879 728 R HA 0.320 4.661 4.340 0.001 0.000 0.219 728 R C 0.036 176.358 176.300 0.037 0.000 1.167 728 R CA -0.321 55.806 56.100 0.045 0.000 1.062 728 R CB 0.030 30.359 30.300 0.048 0.000 1.093 728 R HN 0.428 nan 8.270 nan 0.000 0.510 729 I N 0.983 121.572 120.570 0.032 0.000 2.583 729 I HA 0.315 4.485 4.170 0.001 0.000 0.276 729 I C -0.512 175.620 176.117 0.025 0.000 1.089 729 I CA -0.525 60.792 61.300 0.029 0.000 1.103 729 I CB 1.598 39.614 38.000 0.026 0.000 1.209 729 I HN 0.491 nan 8.210 nan 0.000 0.484 730 R N 3.268 123.782 120.500 0.022 0.000 2.357 730 R HA 0.444 4.784 4.340 0.001 0.000 0.296 730 R C 0.657 176.968 176.300 0.018 0.000 1.052 730 R CA -0.471 55.636 56.100 0.013 0.000 0.988 730 R CB 1.839 32.141 30.300 0.003 0.000 1.025 730 R HN 0.308 nan 8.270 nan 0.000 0.469 731 V N 1.259 121.184 119.914 0.017 0.000 2.175 731 V HA -0.127 3.993 4.120 0.001 0.000 0.125 731 V C 0.756 176.861 176.094 0.020 0.000 0.740 731 V CA 0.810 63.127 62.300 0.028 0.000 1.325 731 V CB -0.066 31.779 31.823 0.036 0.000 0.794 731 V HN 0.784 nan 8.190 nan 0.000 0.417 732 S N -1.117 114.580 115.700 -0.004 0.000 2.806 732 S HA 0.473 4.944 4.470 0.001 0.000 0.306 732 S C -0.434 174.161 174.600 -0.008 0.000 1.167 732 S CA -0.402 57.742 58.200 -0.094 0.000 0.847 732 S CB 1.322 64.166 63.200 -0.593 0.000 1.216 732 S HN 0.835 nan 8.310 nan 0.000 0.532 733 H N 0.247 119.191 119.070 -0.210 0.000 2.539 733 H HA 0.312 4.869 4.556 0.001 0.000 0.293 733 H C -0.645 174.724 175.328 0.067 0.000 1.156 733 H CA -0.440 55.629 56.048 0.035 0.000 1.012 733 H CB -1.023 28.769 29.762 0.051 0.000 1.600 733 H HN 0.454 nan 8.280 nan 0.000 0.538 734 H N 2.017 121.101 119.070 0.023 0.000 3.460 734 H HA 0.506 5.062 4.556 0.001 0.000 0.238 734 H C 0.112 175.404 175.328 -0.060 0.000 1.752 734 H CA 0.492 56.508 56.048 -0.055 0.000 1.503 734 H CB -0.647 29.080 29.762 -0.059 0.000 1.830 734 H HN 0.737 nan 8.280 nan 0.000 0.614 735 A N 0.974 123.794 122.820 0.001 0.000 2.599 735 A HA 0.281 4.602 4.320 0.001 0.000 0.306 735 A C -0.199 177.174 177.584 -0.351 0.000 1.014 735 A CA -0.776 51.113 52.037 -0.248 0.000 0.784 735 A CB 0.507 19.219 19.000 -0.480 0.000 1.229 735 A HN 0.256 nan 8.150 nan 0.000 0.398 736 T N 2.501 116.907 114.554 -0.246 0.000 3.514 736 T HA 0.469 4.819 4.350 0.001 0.000 0.259 736 T C 0.541 175.149 174.700 -0.154 0.000 1.466 736 T CA 0.562 62.594 62.100 -0.113 0.000 1.562 736 T CB -0.031 68.849 68.868 0.019 0.000 0.924 736 T HN 0.821 nan 8.240 nan 0.000 0.678 737 T N -0.810 113.543 114.554 -0.336 0.000 3.029 737 T HA 0.238 4.588 4.350 0.001 0.000 0.256 737 T C 0.604 175.248 174.700 -0.094 0.000 0.914 737 T CA -0.467 61.521 62.100 -0.188 0.000 0.880 737 T CB -0.196 68.555 68.868 -0.194 0.000 1.246 737 T HN 0.454 nan 8.240 nan 0.000 0.523 738 F N 4.224 124.201 119.950 0.045 0.000 2.157 738 F HA -0.138 4.390 4.527 0.001 0.000 0.430 738 F C 2.130 177.945 175.800 0.025 0.000 0.907 738 F CA 0.349 58.377 58.000 0.047 0.000 0.996 738 F CB -0.291 38.739 39.000 0.050 0.000 0.797 738 F HN 0.237 nan 8.300 nan 0.000 0.500 739 T N -0.332 114.352 114.554 0.217 0.000 2.852 739 T HA 0.017 4.367 4.350 0.001 0.000 0.256 739 T C 0.347 174.961 174.700 -0.144 0.000 1.038 739 T CA 0.849 62.984 62.100 0.059 0.000 1.141 739 T CB -0.095 68.895 68.868 0.203 0.000 0.869 739 T HN 0.534 nan 8.240 nan 0.000 0.439 740 H N -1.103 118.048 119.070 0.135 0.000 2.864 740 H HA 0.790 5.346 4.556 0.001 0.000 0.354 740 H C -0.988 174.401 175.328 0.101 0.000 1.208 740 H CA -1.228 54.889 56.048 0.115 0.000 1.191 740 H CB 1.465 31.285 29.762 0.096 0.000 1.889 740 H HN 0.383 nan 8.280 nan 0.000 0.574 741 C N 0.417 119.854 119.300 0.228 0.000 2.994 741 C HA 0.449 4.909 4.460 0.001 0.000 0.305 741 C C -0.710 174.301 174.990 0.035 0.000 1.251 741 C CA -0.461 58.620 59.018 0.105 0.000 1.478 741 C CB 1.236 29.039 27.740 0.106 0.000 1.922 741 C HN 0.923 nan 8.230 nan 0.000 0.472 742 E N 2.750 122.929 120.200 -0.035 0.000 2.259 742 E HA 0.262 4.613 4.350 0.001 0.000 0.281 742 E C 1.299 177.750 176.600 -0.248 0.000 1.037 742 E CA -0.278 56.057 56.400 -0.109 0.000 0.854 742 E CB 0.530 30.210 29.700 -0.033 0.000 1.051 742 E HN 0.484 nan 8.360 nan 0.000 0.409 743 I N 2.387 122.686 120.570 -0.452 0.000 2.087 743 I HA -0.229 3.942 4.170 0.001 0.000 0.240 743 I C 0.852 176.823 176.117 -0.243 0.000 1.054 743 I CA 1.787 62.742 61.300 -0.575 0.000 1.311 743 I CB -1.248 36.465 38.000 -0.479 0.000 1.024 743 I HN 0.622 nan 8.210 nan 0.000 0.402 744 H N -0.216 118.668 119.070 -0.310 0.000 3.112 744 H HA 0.241 4.797 4.556 0.001 0.000 0.347 744 H C -2.089 173.159 175.328 -0.133 0.000 1.188 744 H CA -0.924 54.954 56.048 -0.283 0.000 1.240 744 H CB 2.229 31.659 29.762 -0.554 0.000 1.920 744 H HN -0.284 nan 8.280 nan 0.000 0.535 745 P HA -0.136 nan 4.420 nan 0.000 0.217 745 P C 1.013 178.417 177.300 0.173 0.000 1.151 745 P CA 1.597 64.604 63.100 -0.155 0.000 0.828 745 P CB 0.119 31.507 31.700 -0.521 0.000 0.788 746 S N -1.370 114.629 115.700 0.497 0.000 2.626 746 S HA -0.047 4.423 4.470 0.001 0.000 0.245 746 S C 1.483 176.250 174.600 0.278 0.000 0.973 746 S CA 0.616 59.140 58.200 0.539 0.000 0.959 746 S CB -1.042 62.534 63.200 0.627 0.000 0.762 746 S HN -0.054 nan 8.310 nan 0.000 0.539 747 M N 1.209 120.903 119.600 0.158 0.000 2.495 747 M HA 0.357 4.837 4.480 0.001 0.000 0.237 747 M C 1.508 177.773 176.300 -0.059 0.000 1.131 747 M CA -0.118 55.222 55.300 0.066 0.000 1.032 747 M CB -0.921 31.702 32.600 0.038 0.000 1.513 747 M HN 0.564 nan 8.290 nan 0.000 0.488 748 I N -2.226 118.246 120.570 -0.164 0.000 2.617 748 I HA -0.024 4.147 4.170 0.001 0.000 0.256 748 I C 0.992 176.980 176.117 -0.215 0.000 1.167 748 I CA 0.218 61.299 61.300 -0.366 0.000 1.469 748 I CB -0.432 37.130 38.000 -0.731 0.000 1.098 748 I HN -0.001 nan 8.210 nan 0.000 0.436 749 L N 1.646 122.807 121.223 -0.104 0.000 2.468 749 L HA 0.418 4.758 4.340 0.001 0.000 0.253 749 L C 0.675 177.510 176.870 -0.059 0.000 1.237 749 L CA 0.006 54.802 54.840 -0.073 0.000 0.823 749 L CB 0.033 42.069 42.059 -0.039 0.000 1.124 749 L HN 0.209 nan 8.230 nan 0.000 0.504 750 G N -1.168 107.595 108.800 -0.062 0.000 2.533 750 G HA2 0.474 4.434 3.960 0.001 0.000 0.304 750 G HA3 0.474 4.434 3.960 0.001 0.000 0.304 750 G C 0.586 175.449 174.900 -0.061 0.000 1.263 750 G CA -0.438 44.629 45.100 -0.055 0.000 0.964 750 G HN 0.466 nan 8.290 nan 0.000 0.479 751 V N 1.551 121.428 119.914 -0.062 0.000 2.352 751 V HA -0.431 3.689 4.120 0.001 0.000 0.242 751 V C 3.271 179.307 176.094 -0.096 0.000 1.032 751 V CA 3.474 65.725 62.300 -0.082 0.000 1.108 751 V CB -1.822 29.951 31.823 -0.082 0.000 0.838 751 V HN 1.277 nan 8.190 nan 0.000 0.488 752 A N 0.700 123.469 122.820 -0.084 0.000 1.877 752 A HA -0.278 4.043 4.320 0.001 0.000 0.218 752 A C 2.511 180.032 177.584 -0.106 0.000 1.301 752 A CA 4.392 56.377 52.037 -0.086 0.000 0.699 752 A CB -1.587 17.375 19.000 -0.063 0.000 0.844 752 A HN 1.370 nan 8.150 nan 0.000 0.464 753 A N -1.075 121.691 122.820 -0.090 0.000 1.940 753 A HA -0.209 4.112 4.320 0.001 0.000 0.221 753 A C 2.292 179.805 177.584 -0.118 0.000 1.190 753 A CA 2.576 54.555 52.037 -0.096 0.000 0.647 753 A CB -1.296 17.657 19.000 -0.079 0.000 0.821 753 A HN 0.698 nan 8.150 nan 0.000 0.457 754 S N -0.692 114.942 115.700 -0.111 0.000 2.559 754 S HA -0.078 4.392 4.470 0.001 0.000 0.250 754 S C 1.302 175.787 174.600 -0.193 0.000 0.977 754 S CA 1.397 59.528 58.200 -0.115 0.000 0.958 754 S CB -0.524 62.626 63.200 -0.082 0.000 0.751 754 S HN 0.605 nan 8.310 nan 0.000 0.534 755 I N 0.057 120.480 120.570 -0.245 0.000 3.708 755 I HA 0.195 4.366 4.170 0.001 0.000 0.302 755 I C 0.202 176.155 176.117 -0.274 0.000 1.255 755 I CA 0.086 61.166 61.300 -0.366 0.000 1.362 755 I CB 0.079 37.807 38.000 -0.453 0.000 1.100 755 I HN 0.118 nan 8.210 nan 0.000 0.434 756 I N 4.926 125.365 120.570 -0.218 0.000 2.598 756 I HA 0.095 4.265 4.170 0.001 0.000 0.284 756 I C -2.074 173.923 176.117 -0.199 0.000 1.140 756 I CA -1.511 59.654 61.300 -0.225 0.000 1.420 756 I CB -0.052 37.833 38.000 -0.192 0.000 1.387 756 I HN -0.138 nan 8.210 nan 0.000 0.553 757 P HA 0.158 nan 4.420 nan 0.000 0.285 757 P C -0.083 177.201 177.300 -0.027 0.000 1.259 757 P CA -0.201 62.743 63.100 -0.259 0.000 0.794 757 P CB 0.617 32.136 31.700 -0.301 0.000 0.940 758 F N 0.585 120.586 119.950 0.085 0.000 3.084 758 F HA -0.194 4.333 4.527 0.001 0.000 0.286 758 F C -0.660 175.242 175.800 0.169 0.000 0.855 758 F CA -0.300 57.810 58.000 0.184 0.000 1.091 758 F CB -1.967 37.135 39.000 0.170 0.000 1.177 758 F HN 0.332 nan 8.300 nan 0.000 0.542 759 P HA -0.244 nan 4.420 nan 0.000 0.219 759 P C 0.781 178.092 177.300 0.019 0.000 1.151 759 P CA 2.334 65.460 63.100 0.043 0.000 0.850 759 P CB -0.206 31.443 31.700 -0.085 0.000 0.784 760 D N -1.410 118.958 120.400 -0.054 0.000 2.652 760 D HA -0.088 4.552 4.640 0.001 0.000 0.247 760 D C 0.480 176.592 176.300 -0.313 0.000 1.232 760 D CA 0.100 53.996 54.000 -0.175 0.000 0.863 760 D CB -0.934 39.707 40.800 -0.266 0.000 1.023 760 D HN 0.398 nan 8.370 nan 0.000 0.474 761 H N -0.306 118.802 119.070 0.063 0.000 3.234 761 H HA 0.195 4.751 4.556 0.001 0.000 0.253 761 H C -0.455 174.906 175.328 0.055 0.000 1.171 761 H CA -0.452 55.627 56.048 0.051 0.000 0.990 761 H CB 0.482 30.274 29.762 0.049 0.000 2.344 761 H HN 0.083 nan 8.280 nan 0.000 0.713 762 N N 1.078 119.859 118.700 0.135 0.000 2.229 762 N HA 0.059 4.800 4.740 0.001 0.000 0.298 762 N C -0.231 175.300 175.510 0.034 0.000 1.114 762 N CA -0.595 52.511 53.050 0.094 0.000 0.776 762 N CB 2.353 40.917 38.487 0.129 0.000 1.501 762 N HN 0.177 nan 8.380 nan 0.000 0.474 763 Q N 0.967 120.770 119.800 0.005 0.000 2.292 763 Q HA -0.049 4.291 4.340 0.001 0.000 0.290 763 Q C 1.062 177.037 176.000 -0.042 0.000 1.161 763 Q CA 0.406 56.194 55.803 -0.026 0.000 0.974 763 Q CB 0.297 29.003 28.738 -0.052 0.000 1.136 763 Q HN 0.695 nan 8.270 nan 0.000 0.398 764 S N 5.078 120.763 115.700 -0.024 0.000 2.565 764 S HA -0.230 4.241 4.470 0.001 0.000 0.310 764 S C -0.819 173.749 174.600 -0.053 0.000 1.244 764 S CA 2.182 60.368 58.200 -0.024 0.000 1.170 764 S CB -0.734 62.458 63.200 -0.013 0.000 1.179 764 S HN 0.843 nan 8.310 nan 0.000 0.441 765 P HA -0.067 nan 4.420 nan 0.000 0.216 765 P C 1.276 178.404 177.300 -0.287 0.000 1.153 765 P CA 1.010 64.004 63.100 -0.176 0.000 0.844 765 P CB -0.283 31.277 31.700 -0.233 0.000 0.787 766 R N 0.048 120.376 120.500 -0.286 0.000 2.174 766 R HA -0.142 4.198 4.340 0.001 0.000 0.253 766 R C 1.920 178.169 176.300 -0.085 0.000 1.165 766 R CA 1.057 57.012 56.100 -0.242 0.000 0.984 766 R CB -1.418 28.830 30.300 -0.086 0.000 0.873 766 R HN 0.375 nan 8.270 nan 0.000 0.456 767 N N -0.454 118.218 118.700 -0.047 0.000 2.207 767 N HA -0.066 4.675 4.740 0.001 0.000 0.182 767 N C 1.575 177.101 175.510 0.027 0.000 1.020 767 N CA 1.512 54.556 53.050 -0.012 0.000 0.858 767 N CB -0.428 38.046 38.487 -0.021 0.000 0.991 767 N HN 0.169 nan 8.380 nan 0.000 0.427 768 T N 1.122 115.698 114.554 0.036 0.000 2.760 768 T HA -0.164 4.187 4.350 0.001 0.000 0.269 768 T C 1.733 176.572 174.700 0.232 0.000 1.047 768 T CA 1.227 63.391 62.100 0.107 0.000 1.139 768 T CB -0.431 68.515 68.868 0.130 0.000 0.855 768 T HN 0.385 nan 8.240 nan 0.000 0.471 769 Y N 0.949 121.238 120.300 -0.018 0.000 2.109 769 Y HA -0.162 4.388 4.550 0.001 0.000 0.281 769 Y C 3.029 178.916 175.900 -0.022 0.000 1.113 769 Y CA 0.659 58.750 58.100 -0.016 0.000 1.098 769 Y CB -0.405 38.054 38.460 -0.003 0.000 0.996 769 Y HN 0.077 nan 8.280 nan 0.000 0.485 770 Q N 0.985 120.884 119.800 0.165 0.000 2.366 770 Q HA -0.190 4.150 4.340 0.001 0.000 0.214 770 Q C 1.396 177.404 176.000 0.013 0.000 0.994 770 Q CA 1.914 57.748 55.803 0.051 0.000 0.909 770 Q CB -0.478 28.246 28.738 -0.023 0.000 0.918 770 Q HN 0.217 nan 8.270 nan 0.000 0.436 771 S N -1.257 114.457 115.700 0.023 0.000 2.754 771 S HA 0.403 4.874 4.470 0.001 0.000 0.223 771 S C 0.763 175.358 174.600 -0.009 0.000 0.951 771 S CA 0.310 58.506 58.200 -0.006 0.000 0.954 771 S CB 0.398 63.594 63.200 -0.008 0.000 0.780 771 S HN 0.517 nan 8.310 nan 0.000 0.509 772 A N -0.003 122.814 122.820 -0.005 0.000 2.591 772 A HA 0.424 4.744 4.320 0.001 0.000 0.204 772 A C 1.410 178.979 177.584 -0.025 0.000 1.410 772 A CA -0.199 51.823 52.037 -0.025 0.000 1.065 772 A CB 0.005 18.977 19.000 -0.047 0.000 1.362 772 A HN 0.397 nan 8.150 nan 0.000 0.566 773 M N -0.233 119.362 119.600 -0.009 0.000 2.435 773 M HA 0.074 4.554 4.480 0.001 0.000 0.265 773 M C 2.067 178.368 176.300 0.001 0.000 1.104 773 M CA 1.172 56.468 55.300 -0.006 0.000 1.140 773 M CB -0.060 32.549 32.600 0.016 0.000 1.372 773 M HN 0.477 nan 8.290 nan 0.000 0.456 774 G N 1.178 109.983 108.800 0.008 0.000 2.471 774 G HA2 -0.169 3.792 3.960 0.001 0.000 0.219 774 G HA3 -0.169 3.792 3.960 0.001 0.000 0.219 774 G C 1.526 176.451 174.900 0.041 0.000 1.125 774 G CA 0.550 45.667 45.100 0.027 0.000 0.775 774 G HN 0.427 nan 8.290 nan 0.000 0.548 775 K N -0.231 120.184 120.400 0.025 0.000 2.426 775 K HA 0.118 4.438 4.320 0.001 0.000 0.193 775 K C 1.792 178.405 176.600 0.021 0.000 1.028 775 K CA 0.312 56.637 56.287 0.064 0.000 1.047 775 K CB 0.300 32.833 32.500 0.054 0.000 0.821 775 K HN 0.287 nan 8.250 nan 0.000 0.513 776 Q N 0.138 119.903 119.800 -0.058 0.000 2.219 776 Q HA 0.234 4.575 4.340 0.001 0.000 0.209 776 Q C -0.106 175.814 176.000 -0.132 0.000 0.854 776 Q CA -0.398 55.300 55.803 -0.174 0.000 0.960 776 Q CB 1.194 29.846 28.738 -0.144 0.000 1.116 776 Q HN 0.182 nan 8.270 nan 0.000 0.500 777 A N 0.730 123.525 122.820 -0.042 0.000 2.246 777 A HA 0.651 4.971 4.320 0.001 0.000 0.291 777 A C -0.207 177.383 177.584 0.009 0.000 1.103 777 A CA -0.343 51.691 52.037 -0.003 0.000 0.844 777 A CB 0.638 19.665 19.000 0.045 0.000 1.136 777 A HN 0.203 nan 8.150 nan 0.000 0.500 778 M N -0.125 119.499 119.600 0.040 0.000 2.436 778 M HA 0.562 5.042 4.480 0.001 0.000 0.331 778 M C 0.575 176.933 176.300 0.097 0.000 1.135 778 M CA 0.035 55.371 55.300 0.060 0.000 0.987 778 M CB 2.210 34.839 32.600 0.050 0.000 1.687 778 M HN 0.975 nan 8.290 nan 0.000 0.445 779 G N 1.181 110.045 108.800 0.107 0.000 3.206 779 G HA2 0.511 4.471 3.960 0.001 0.000 0.146 779 G HA3 0.511 4.471 3.960 0.001 0.000 0.146 779 G C -1.614 173.326 174.900 0.068 0.000 1.214 779 G CA -0.287 44.865 45.100 0.087 0.000 1.297 779 G HN 0.470 nan 8.290 nan 0.000 0.659 780 V N 2.384 122.327 119.914 0.048 0.000 2.439 780 V HA 0.271 4.392 4.120 0.001 0.000 0.277 780 V C 0.630 176.732 176.094 0.013 0.000 1.008 780 V CA -0.439 61.846 62.300 -0.025 0.000 0.846 780 V CB 0.640 32.421 31.823 -0.070 0.000 1.031 780 V HN 0.767 nan 8.190 nan 0.000 0.441 781 F N 3.771 123.762 119.950 0.068 0.000 2.216 781 F HA 0.283 4.810 4.527 0.001 0.000 0.300 781 F C 0.392 176.291 175.800 0.165 0.000 1.085 781 F CA 1.101 59.173 58.000 0.120 0.000 1.326 781 F CB -0.030 39.013 39.000 0.072 0.000 1.027 781 F HN 0.269 nan 8.300 nan 0.000 0.497 782 L N -1.089 119.863 121.223 -0.451 0.000 2.828 782 L HA 0.254 4.595 4.340 0.001 0.000 0.264 782 L C 0.748 177.448 176.870 -0.283 0.000 1.106 782 L CA -0.063 54.648 54.840 -0.216 0.000 0.955 782 L CB 2.034 44.039 42.059 -0.090 0.000 1.558 782 L HN 0.016 nan 8.230 nan 0.000 0.386 783 T N -4.237 110.217 114.554 -0.167 0.000 3.010 783 T HA 0.034 4.384 4.350 0.001 0.000 0.257 783 T C 0.724 175.235 174.700 -0.315 0.000 1.020 783 T CA 0.085 62.073 62.100 -0.185 0.000 0.938 783 T CB -0.229 68.591 68.868 -0.080 0.000 1.049 783 T HN 0.601 nan 8.240 nan 0.000 0.522 784 N N 1.333 119.873 118.700 -0.267 0.000 2.313 784 N HA -0.012 4.728 4.740 0.001 0.000 0.207 784 N C 1.335 176.712 175.510 -0.221 0.000 1.141 784 N CA -0.294 52.604 53.050 -0.252 0.000 0.830 784 N CB -0.651 37.738 38.487 -0.164 0.000 1.008 784 N HN 0.648 nan 8.380 nan 0.000 0.481 785 Y N 0.663 120.791 120.300 -0.287 0.000 2.256 785 Y HA -0.032 4.518 4.550 0.001 0.000 0.288 785 Y C 1.708 177.477 175.900 -0.218 0.000 1.155 785 Y CA 1.032 58.957 58.100 -0.292 0.000 1.203 785 Y CB -1.223 36.912 38.460 -0.542 0.000 0.980 785 Y HN 0.014 nan 8.280 nan 0.000 0.530 786 N N 0.366 118.743 118.700 -0.538 0.000 2.519 786 N HA -0.090 4.650 4.740 0.001 0.000 0.186 786 N C 0.141 175.620 175.510 -0.052 0.000 1.062 786 N CA 1.211 54.121 53.050 -0.233 0.000 0.910 786 N CB -0.042 38.234 38.487 -0.352 0.000 0.958 786 N HN 0.317 nan 8.380 nan 0.000 0.445 787 V N 0.099 119.975 119.914 -0.063 0.000 2.915 787 V HA 0.339 4.459 4.120 0.001 0.000 0.364 787 V C -0.189 175.928 176.094 0.039 0.000 1.354 787 V CA -0.322 61.974 62.300 -0.007 0.000 1.213 787 V CB -0.121 31.679 31.823 -0.039 0.000 1.268 787 V HN 0.088 nan 8.190 nan 0.000 0.557 788 R N 1.028 121.577 120.500 0.083 0.000 2.451 788 R HA 0.547 4.887 4.340 0.001 0.000 0.307 788 R C -0.488 175.883 176.300 0.118 0.000 0.965 788 R CA -0.663 55.508 56.100 0.117 0.000 0.865 788 R CB 1.876 32.294 30.300 0.198 0.000 1.174 788 R HN 0.111 nan 8.270 nan 0.000 0.455 789 M N 3.414 123.070 119.600 0.092 0.000 3.533 789 M HA 0.095 4.575 4.480 0.001 0.000 0.217 789 M C -0.683 175.650 176.300 0.054 0.000 1.269 789 M CA -0.468 54.877 55.300 0.075 0.000 1.435 789 M CB -1.006 31.628 32.600 0.056 0.000 1.105 789 M HN 0.435 nan 8.290 nan 0.000 0.555 790 D N 0.137 120.569 120.400 0.054 0.000 2.198 790 D HA 0.230 4.871 4.640 0.001 0.000 0.245 790 D C 0.174 176.471 176.300 -0.006 0.000 1.079 790 D CA -0.474 53.532 54.000 0.009 0.000 0.854 790 D CB 0.497 41.276 40.800 -0.035 0.000 1.148 790 D HN 0.228 nan 8.370 nan 0.000 0.456 791 T N 0.368 114.903 114.554 -0.032 0.000 2.758 791 T HA 0.220 4.570 4.350 0.001 0.000 0.281 791 T C 0.854 175.543 174.700 -0.018 0.000 0.963 791 T CA -0.703 61.360 62.100 -0.061 0.000 1.201 791 T CB -0.371 68.454 68.868 -0.072 0.000 0.906 791 T HN 0.632 nan 8.240 nan 0.000 0.528 792 M N 1.521 121.132 119.600 0.018 0.000 4.047 792 M HA -0.036 4.444 4.480 0.001 0.000 0.157 792 M C -0.689 175.703 176.300 0.155 0.000 1.532 792 M CA 0.719 56.123 55.300 0.173 0.000 1.097 792 M CB -1.117 31.582 32.600 0.166 0.000 1.346 792 M HN 1.424 nan 8.290 nan 0.000 0.190 793 A N 4.968 127.967 122.820 0.298 0.000 2.565 793 A HA 0.753 5.074 4.320 0.001 0.000 0.298 793 A C -1.412 176.372 177.584 0.333 0.000 1.062 793 A CA -0.886 51.265 52.037 0.190 0.000 0.723 793 A CB 1.400 20.469 19.000 0.114 0.000 1.282 793 A HN 0.741 nan 8.150 nan 0.000 0.400 794 N N 0.840 119.658 118.700 0.197 0.000 2.372 794 N HA 0.671 5.412 4.740 0.001 0.000 0.291 794 N C -1.554 174.033 175.510 0.129 0.000 1.024 794 N CA -0.209 52.937 53.050 0.160 0.000 0.873 794 N CB 1.866 40.358 38.487 0.008 0.000 1.206 794 N HN 0.469 nan 8.380 nan 0.000 0.486 795 I N 2.185 122.813 120.570 0.096 0.000 2.447 795 I HA 0.190 4.361 4.170 0.001 0.000 0.287 795 I C -0.565 175.616 176.117 0.106 0.000 1.023 795 I CA -0.672 60.633 61.300 0.008 0.000 1.083 795 I CB 1.745 39.583 38.000 -0.270 0.000 1.245 795 I HN 0.307 nan 8.210 nan 0.000 0.434 796 L N 8.027 129.317 121.223 0.110 0.000 2.385 796 L HA 0.190 4.531 4.340 0.001 0.000 0.281 796 L C 0.724 177.739 176.870 0.240 0.000 1.106 796 L CA 0.536 55.469 54.840 0.156 0.000 0.856 796 L CB -0.385 41.758 42.059 0.142 0.000 1.186 796 L HN 0.504 nan 8.230 nan 0.000 0.453 797 Y N 5.374 125.712 120.300 0.064 0.000 1.929 797 Y HA -0.328 4.222 4.550 0.001 0.000 0.247 797 Y C 0.716 176.827 175.900 0.352 0.000 1.176 797 Y CA 1.982 60.134 58.100 0.087 0.000 1.075 797 Y CB -0.831 37.503 38.460 -0.210 0.000 0.907 797 Y HN 0.538 nan 8.280 nan 0.000 0.499 798 Y N 1.100 121.514 120.300 0.190 0.000 2.944 798 Y HA 0.283 4.833 4.550 0.001 0.000 0.335 798 Y C -2.097 173.811 175.900 0.012 0.000 1.075 798 Y CA -2.876 55.264 58.100 0.066 0.000 1.240 798 Y CB 0.312 38.796 38.460 0.040 0.000 1.167 798 Y HN 0.027 nan 8.280 nan 0.000 0.555 799 P HA 0.088 nan 4.420 nan 0.000 0.271 799 P C -0.857 176.458 177.300 0.026 0.000 1.233 799 P CA 0.002 63.142 63.100 0.067 0.000 0.789 799 P CB 0.746 32.456 31.700 0.017 0.000 0.951 800 Q N 0.113 119.923 119.800 0.017 0.000 2.281 800 Q HA 0.195 4.536 4.340 0.001 0.000 0.263 800 Q C -0.763 175.159 176.000 -0.130 0.000 0.989 800 Q CA -0.976 54.809 55.803 -0.030 0.000 0.852 800 Q CB 2.348 31.098 28.738 0.020 0.000 1.337 800 Q HN 0.404 nan 8.270 nan 0.000 0.418 801 K N 2.103 122.381 120.400 -0.203 0.000 2.379 801 K HA 0.323 4.643 4.320 0.001 0.000 0.284 801 K C -2.272 174.100 176.600 -0.380 0.000 1.044 801 K CA -1.288 54.816 56.287 -0.306 0.000 0.974 801 K CB 0.288 32.657 32.500 -0.219 0.000 0.962 801 K HN 0.161 nan 8.250 nan 0.000 0.474 802 P HA -0.126 nan 4.420 nan 0.000 0.267 802 P C 0.439 177.546 177.300 -0.321 0.000 1.201 802 P CA 0.029 62.680 63.100 -0.748 0.000 0.775 802 P CB 0.748 31.906 31.700 -0.903 0.000 0.854 803 L N 1.338 122.429 121.223 -0.220 0.000 2.007 803 L HA 0.029 4.370 4.340 0.001 0.000 0.205 803 L C 1.754 178.552 176.870 -0.120 0.000 1.073 803 L CA 1.559 56.322 54.840 -0.128 0.000 0.744 803 L CB -1.093 40.918 42.059 -0.079 0.000 0.898 803 L HN 0.499 nan 8.230 nan 0.000 0.435 804 G N -0.301 108.424 108.800 -0.124 0.000 2.390 804 G HA2 0.440 4.400 3.960 0.001 0.000 0.270 804 G HA3 0.440 4.400 3.960 0.001 0.000 0.270 804 G C -0.297 174.494 174.900 -0.183 0.000 1.211 804 G CA 0.137 45.148 45.100 -0.148 0.000 0.842 804 G HN 0.248 nan 8.290 nan 0.000 0.519 805 T N -1.625 112.816 114.554 -0.190 0.000 2.696 805 T HA 0.781 5.132 4.350 0.001 0.000 0.291 805 T C -0.526 174.056 174.700 -0.198 0.000 1.095 805 T CA -0.785 61.207 62.100 -0.180 0.000 1.026 805 T CB 2.157 70.946 68.868 -0.131 0.000 1.390 805 T HN 0.421 nan 8.240 nan 0.000 0.513 806 T N 0.905 115.349 114.554 -0.182 0.000 2.921 806 T HA 0.398 4.749 4.350 0.001 0.000 0.297 806 T C 1.104 175.687 174.700 -0.195 0.000 1.013 806 T CA -0.922 61.077 62.100 -0.167 0.000 0.990 806 T CB 1.929 70.707 68.868 -0.151 0.000 1.023 806 T HN 0.571 nan 8.240 nan 0.000 0.447 807 R N 1.878 122.204 120.500 -0.291 0.000 2.133 807 R HA -0.154 4.186 4.340 0.001 0.000 0.247 807 R C 2.324 178.456 176.300 -0.279 0.000 1.151 807 R CA 1.580 57.361 56.100 -0.532 0.000 0.971 807 R CB -1.113 28.379 30.300 -1.347 0.000 0.866 807 R HN 0.736 nan 8.270 nan 0.000 0.447 808 A N 1.026 123.763 122.820 -0.139 0.000 2.076 808 A HA -0.149 4.171 4.320 0.001 0.000 0.220 808 A C 2.246 179.875 177.584 0.074 0.000 1.160 808 A CA 1.435 53.511 52.037 0.066 0.000 0.653 808 A CB -0.470 18.564 19.000 0.055 0.000 0.801 808 A HN 0.246 nan 8.150 nan 0.000 0.455 809 M N -1.401 118.165 119.600 -0.056 0.000 2.132 809 M HA -0.154 4.326 4.480 0.001 0.000 0.263 809 M C 2.106 178.365 176.300 -0.067 0.000 1.065 809 M CA 1.746 56.997 55.300 -0.081 0.000 1.122 809 M CB -0.379 32.160 32.600 -0.101 0.000 1.365 809 M HN 0.601 nan 8.290 nan 0.000 0.411 810 E N 0.225 120.312 120.200 -0.188 0.000 2.208 810 E HA -0.247 4.103 4.350 0.001 0.000 0.202 810 E C 1.217 177.485 176.600 -0.552 0.000 1.014 810 E CA 1.767 57.905 56.400 -0.436 0.000 0.819 810 E CB 0.018 29.283 29.700 -0.725 0.000 0.735 810 E HN 0.634 nan 8.360 nan 0.000 0.469 811 Y N -1.062 119.141 120.300 -0.162 0.000 2.478 811 Y HA 0.187 4.738 4.550 0.001 0.000 0.261 811 Y C 1.561 177.306 175.900 -0.259 0.000 1.127 811 Y CA 0.084 58.011 58.100 -0.288 0.000 1.288 811 Y CB 0.256 38.287 38.460 -0.716 0.000 1.084 811 Y HN -0.034 nan 8.280 nan 0.000 0.530 812 L N 0.519 121.728 121.223 -0.024 0.000 2.629 812 L HA 0.111 4.451 4.340 0.001 0.000 0.230 812 L C 0.063 177.041 176.870 0.179 0.000 1.151 812 L CA -0.067 54.797 54.840 0.039 0.000 0.924 812 L CB -0.152 41.898 42.059 -0.016 0.000 1.137 812 L HN -0.017 nan 8.230 nan 0.000 0.457 813 K N -0.004 120.437 120.400 0.069 0.000 4.075 813 K HA -0.264 4.057 4.320 0.001 0.000 0.278 813 K C 0.413 176.992 176.600 -0.035 0.000 0.862 813 K CA 0.598 56.852 56.287 -0.054 0.000 0.762 813 K CB -1.797 30.587 32.500 -0.193 0.000 1.660 813 K HN 0.179 nan 8.250 nan 0.000 0.437 814 F N 1.093 120.954 119.950 -0.148 0.000 2.208 814 F HA 0.057 4.584 4.527 0.001 0.000 0.282 814 F C 2.130 177.830 175.800 -0.168 0.000 1.071 814 F CA 0.660 58.585 58.000 -0.125 0.000 1.228 814 F CB -0.045 38.900 39.000 -0.092 0.000 1.088 814 F HN 0.202 nan 8.300 nan 0.000 0.512 815 R N 0.173 120.615 120.500 -0.097 0.000 2.276 815 R HA -0.211 4.129 4.340 0.001 0.000 0.243 815 R C 1.487 177.643 176.300 -0.239 0.000 1.161 815 R CA 1.594 57.578 56.100 -0.192 0.000 1.007 815 R CB -0.448 29.785 30.300 -0.113 0.000 0.867 815 R HN 0.335 nan 8.270 nan 0.000 0.472 816 E N -0.050 119.973 120.200 -0.295 0.000 2.216 816 E HA 0.123 4.474 4.350 0.001 0.000 0.192 816 E C 0.157 176.481 176.600 -0.459 0.000 0.973 816 E CA 0.662 56.848 56.400 -0.358 0.000 0.851 816 E CB 0.545 29.920 29.700 -0.541 0.000 0.804 816 E HN 0.165 nan 8.360 nan 0.000 0.477 817 L N 1.677 122.588 121.223 -0.521 0.000 2.502 817 L HA 0.364 4.704 4.340 0.001 0.000 0.249 817 L C -2.376 174.222 176.870 -0.453 0.000 1.446 817 L CA -1.629 52.948 54.840 -0.439 0.000 0.887 817 L CB 1.183 42.926 42.059 -0.527 0.000 1.126 817 L HN -0.050 nan 8.230 nan 0.000 0.509 818 P HA 0.113 nan 4.420 nan 0.000 0.285 818 P C 0.057 177.173 177.300 -0.306 0.000 1.282 818 P CA -0.179 62.437 63.100 -0.806 0.000 0.778 818 P CB 1.279 32.689 31.700 -0.483 0.000 1.222 819 A N -1.558 121.253 122.820 -0.016 0.000 2.758 819 A HA 0.613 4.933 4.320 0.001 0.000 0.223 819 A C 0.181 177.820 177.584 0.091 0.000 0.877 819 A CA 0.396 52.508 52.037 0.125 0.000 1.152 819 A CB -0.244 18.889 19.000 0.222 0.000 1.239 819 A HN 0.798 nan 8.150 nan 0.000 0.470 820 G N -0.562 108.302 108.800 0.106 0.000 2.364 820 G HA2 0.520 4.481 3.960 0.001 0.000 0.286 820 G HA3 0.520 4.481 3.960 0.001 0.000 0.286 820 G C -1.855 173.079 174.900 0.057 0.000 1.241 820 G CA -0.413 44.597 45.100 -0.150 0.000 0.887 820 G HN 0.323 nan 8.290 nan 0.000 0.484 821 Q N 0.086 119.844 119.800 -0.071 0.000 2.309 821 Q HA 0.312 4.652 4.340 0.001 0.000 0.273 821 Q C -1.309 174.813 176.000 0.204 0.000 1.040 821 Q CA -0.959 54.867 55.803 0.038 0.000 0.834 821 Q CB 2.371 30.808 28.738 -0.501 0.000 1.345 821 Q HN 0.483 nan 8.270 nan 0.000 0.414 822 N N 1.411 120.260 118.700 0.248 0.000 2.416 822 N HA 0.278 5.019 4.740 0.001 0.000 0.265 822 N C -1.056 174.505 175.510 0.085 0.000 1.195 822 N CA 0.207 53.376 53.050 0.197 0.000 0.943 822 N CB 1.052 39.586 38.487 0.079 0.000 1.115 822 N HN 0.517 nan 8.380 nan 0.000 0.481 823 A N 3.044 125.941 122.820 0.128 0.000 2.330 823 A HA 0.424 4.744 4.320 0.001 0.000 0.327 823 A C 0.430 178.075 177.584 0.101 0.000 1.155 823 A CA -0.763 51.323 52.037 0.082 0.000 0.803 823 A CB 0.772 19.831 19.000 0.098 0.000 1.208 823 A HN 0.526 nan 8.150 nan 0.000 0.477 824 I N 3.788 124.406 120.570 0.080 0.000 2.624 824 I HA 0.010 4.180 4.170 0.001 0.000 0.307 824 I C 0.505 176.659 176.117 0.063 0.000 1.191 824 I CA 0.519 61.901 61.300 0.137 0.000 1.708 824 I CB -1.456 36.666 38.000 0.203 0.000 1.521 824 I HN 0.234 nan 8.210 nan 0.000 0.805 825 V N 5.074 125.010 119.914 0.037 0.000 3.051 825 V HA 0.479 4.599 4.120 0.001 0.000 0.306 825 V C 0.744 176.634 176.094 -0.341 0.000 1.083 825 V CA -0.350 61.915 62.300 -0.058 0.000 1.104 825 V CB 1.565 33.459 31.823 0.118 0.000 1.027 825 V HN 0.851 nan 8.190 nan 0.000 0.483 826 A N 4.551 127.159 122.820 -0.352 0.000 2.611 826 A HA 0.581 4.901 4.320 0.001 0.000 0.282 826 A C -0.742 176.700 177.584 -0.237 0.000 1.114 826 A CA -0.482 51.239 52.037 -0.527 0.000 0.800 826 A CB 0.410 18.902 19.000 -0.847 0.000 1.325 826 A HN 0.677 nan 8.150 nan 0.000 0.411 827 I N 2.612 123.125 120.570 -0.095 0.000 2.372 827 I HA 0.408 4.578 4.170 0.001 0.000 0.298 827 I C 0.684 176.752 176.117 -0.081 0.000 1.137 827 I CA 0.780 62.070 61.300 -0.017 0.000 1.314 827 I CB 0.320 38.383 38.000 0.105 0.000 1.444 827 I HN 0.766 nan 8.210 nan 0.000 0.541 828 A N 5.282 128.046 122.820 -0.093 0.000 2.564 828 A HA 0.607 4.927 4.320 0.001 0.000 0.291 828 A C -1.460 176.104 177.584 -0.033 0.000 1.102 828 A CA -0.515 51.468 52.037 -0.091 0.000 0.660 828 A CB 1.163 20.078 19.000 -0.141 0.000 1.283 828 A HN 0.514 nan 8.150 nan 0.000 0.430 829 C N 0.745 120.046 119.300 0.002 0.000 2.295 829 C HA 0.799 5.259 4.460 0.001 0.000 0.331 829 C C -0.084 175.018 174.990 0.188 0.000 1.280 829 C CA 0.033 59.096 59.018 0.076 0.000 1.746 829 C CB -0.315 27.456 27.740 0.052 0.000 2.328 829 C HN 0.754 nan 8.230 nan 0.000 0.521 830 Y N 1.293 121.586 120.300 -0.011 0.000 3.284 830 Y HA 0.280 4.831 4.550 0.001 0.000 0.262 830 Y C 2.110 178.024 175.900 0.022 0.000 2.194 830 Y CA 0.283 58.353 58.100 -0.051 0.000 0.905 830 Y CB -0.232 38.158 38.460 -0.117 0.000 1.600 830 Y HN 0.599 nan 8.280 nan 0.000 0.532 831 S N 0.304 115.892 115.700 -0.186 0.000 2.429 831 S HA -0.178 4.292 4.470 0.001 0.000 0.251 831 S C 1.467 176.206 174.600 0.232 0.000 1.104 831 S CA 2.185 60.365 58.200 -0.033 0.000 1.130 831 S CB -1.197 62.043 63.200 0.067 0.000 1.000 831 S HN 1.844 nan 8.310 nan 0.000 0.449 832 G N -1.331 107.678 108.800 0.348 0.000 2.155 832 G HA2 -0.108 3.852 3.960 0.001 0.000 0.130 832 G HA3 -0.108 3.852 3.960 0.001 0.000 0.130 832 G C 0.168 175.234 174.900 0.277 0.000 1.027 832 G CA 0.158 45.422 45.100 0.272 0.000 0.705 832 G HN 0.444 nan 8.290 nan 0.000 0.496 833 Y N 1.260 121.621 120.300 0.102 0.000 2.497 833 Y HA 0.161 4.711 4.550 0.001 0.000 0.265 833 Y C 2.187 178.129 175.900 0.070 0.000 1.111 833 Y CA 0.471 58.619 58.100 0.080 0.000 1.288 833 Y CB 0.144 38.661 38.460 0.095 0.000 1.082 833 Y HN 0.471 nan 8.280 nan 0.000 0.536 834 N N 0.138 118.973 118.700 0.225 0.000 2.398 834 N HA -0.053 4.687 4.740 0.001 0.000 0.188 834 N C 0.461 176.028 175.510 0.095 0.000 1.122 834 N CA 0.060 53.195 53.050 0.141 0.000 0.866 834 N CB -0.100 38.469 38.487 0.136 0.000 0.970 834 N HN 0.354 nan 8.380 nan 0.000 0.462 835 Q N 0.857 120.706 119.800 0.082 0.000 2.614 835 Q HA -0.014 4.327 4.340 0.001 0.000 0.244 835 Q C -0.186 175.828 176.000 0.023 0.000 1.097 835 Q CA 0.007 55.844 55.803 0.056 0.000 0.986 835 Q CB 0.378 29.129 28.738 0.022 0.000 1.308 835 Q HN 0.201 nan 8.270 nan 0.000 0.546 836 E N 2.113 122.320 120.200 0.012 0.000 2.068 836 E HA -0.368 3.983 4.350 0.001 0.000 0.192 836 E C -1.065 175.536 176.600 0.001 0.000 1.358 836 E CA 1.153 57.548 56.400 -0.008 0.000 0.696 836 E CB -1.273 28.405 29.700 -0.036 0.000 1.065 836 E HN 0.708 nan 8.360 nan 0.000 0.327 837 D N -0.589 119.824 120.400 0.023 0.000 2.778 837 D HA -0.140 4.500 4.640 0.001 0.000 0.246 837 D C -0.744 175.568 176.300 0.019 0.000 1.107 837 D CA 1.422 55.438 54.000 0.025 0.000 0.732 837 D CB -1.181 39.630 40.800 0.018 0.000 1.055 837 D HN 0.437 nan 8.370 nan 0.000 0.429 838 S N -0.802 114.914 115.700 0.026 0.000 2.543 838 S HA 0.668 5.138 4.470 0.001 0.000 0.273 838 S C -0.051 174.575 174.600 0.044 0.000 1.152 838 S CA -1.148 57.064 58.200 0.021 0.000 0.910 838 S CB 2.680 65.880 63.200 0.000 0.000 1.105 838 S HN 0.238 nan 8.310 nan 0.000 0.465 839 M N 1.693 121.318 119.600 0.043 0.000 2.573 839 M HA 0.632 5.112 4.480 0.001 0.000 0.309 839 M C -0.990 175.358 176.300 0.080 0.000 1.202 839 M CA -0.711 54.617 55.300 0.046 0.000 0.975 839 M CB 0.431 33.024 32.600 -0.012 0.000 1.600 839 M HN 0.677 nan 8.290 nan 0.000 0.479 840 I N 2.192 122.822 120.570 0.100 0.000 2.312 840 I HA 0.367 4.537 4.170 0.001 0.000 0.290 840 I C -0.460 175.720 176.117 0.105 0.000 1.008 840 I CA -0.224 61.171 61.300 0.158 0.000 1.226 840 I CB 1.435 39.594 38.000 0.264 0.000 1.371 840 I HN 0.707 nan 8.210 nan 0.000 0.468 841 M N 6.686 126.340 119.600 0.091 0.000 2.149 841 M HA 0.323 4.804 4.480 0.001 0.000 0.342 841 M C -0.206 176.148 176.300 0.090 0.000 1.068 841 M CA -0.665 54.676 55.300 0.069 0.000 0.991 841 M CB 1.070 33.714 32.600 0.074 0.000 1.596 841 M HN 0.491 nan 8.290 nan 0.000 0.439 842 N N 3.497 122.248 118.700 0.085 0.000 2.301 842 N HA -0.139 4.602 4.740 0.001 0.000 0.267 842 N C 0.402 175.962 175.510 0.084 0.000 1.304 842 N CA 0.649 53.759 53.050 0.099 0.000 0.851 842 N CB 0.908 39.438 38.487 0.071 0.000 1.070 842 N HN 0.751 nan 8.380 nan 0.000 0.483 843 Q N 3.023 122.875 119.800 0.086 0.000 2.049 843 Q HA -0.028 4.313 4.340 0.001 0.000 0.198 843 Q C 1.394 177.428 176.000 0.056 0.000 0.971 843 Q CA 1.597 57.435 55.803 0.058 0.000 0.833 843 Q CB -0.350 28.415 28.738 0.044 0.000 0.896 843 Q HN 0.716 nan 8.270 nan 0.000 0.434 844 S N 0.668 116.407 115.700 0.065 0.000 2.434 844 S HA -0.306 4.165 4.470 0.001 0.000 0.240 844 S C 1.954 176.583 174.600 0.048 0.000 1.052 844 S CA 2.360 60.594 58.200 0.057 0.000 1.198 844 S CB -1.126 62.113 63.200 0.065 0.000 1.124 844 S HN 0.745 nan 8.310 nan 0.000 0.426 845 S N 2.025 117.754 115.700 0.049 0.000 2.389 845 S HA -0.193 4.278 4.470 0.001 0.000 0.231 845 S C 1.753 176.372 174.600 0.031 0.000 1.052 845 S CA 1.702 59.925 58.200 0.038 0.000 1.053 845 S CB -1.088 62.132 63.200 0.035 0.000 0.886 845 S HN 0.496 nan 8.310 nan 0.000 0.456 846 I N 2.406 123.002 120.570 0.043 0.000 2.264 846 I HA -0.214 3.957 4.170 0.001 0.000 0.248 846 I C 2.145 178.273 176.117 0.019 0.000 1.111 846 I CA 1.781 63.107 61.300 0.044 0.000 1.382 846 I CB -0.563 37.470 38.000 0.054 0.000 1.060 846 I HN 0.328 nan 8.210 nan 0.000 0.418 847 D N 0.822 121.236 120.400 0.023 0.000 2.103 847 D HA -0.103 4.537 4.640 0.001 0.000 0.199 847 D C 1.886 178.200 176.300 0.023 0.000 0.978 847 D CA 0.950 54.962 54.000 0.020 0.000 0.829 847 D CB -0.338 40.479 40.800 0.027 0.000 0.981 847 D HN 0.306 nan 8.370 nan 0.000 0.464 848 R N 0.372 120.892 120.500 0.032 0.000 2.387 848 R HA 0.082 4.423 4.340 0.001 0.000 0.203 848 R C 1.051 177.376 176.300 0.043 0.000 1.121 848 R CA 0.598 56.727 56.100 0.048 0.000 1.129 848 R CB -0.358 29.974 30.300 0.053 0.000 0.905 848 R HN 0.238 nan 8.270 nan 0.000 0.477 849 G N 0.708 109.503 108.800 -0.009 0.000 2.157 849 G HA2 -0.246 3.715 3.960 0.001 0.000 0.239 849 G HA3 -0.246 3.715 3.960 0.001 0.000 0.239 849 G C -0.071 174.738 174.900 -0.152 0.000 0.982 849 G CA -0.349 44.687 45.100 -0.107 0.000 0.650 849 G HN 0.267 nan 8.290 nan 0.000 0.527 850 L N 0.531 121.712 121.223 -0.071 0.000 2.499 850 L HA 0.601 4.942 4.340 0.001 0.000 0.273 850 L C 1.361 178.221 176.870 -0.016 0.000 1.195 850 L CA 0.606 55.386 54.840 -0.100 0.000 0.882 850 L CB -0.911 41.117 42.059 -0.053 0.000 1.133 850 L HN 0.613 nan 8.230 nan 0.000 0.483 851 F N 2.070 121.963 119.950 -0.096 0.000 3.059 851 F HA -0.334 4.193 4.527 0.001 0.000 0.290 851 F C 1.269 176.986 175.800 -0.138 0.000 0.786 851 F CA 0.776 58.722 58.000 -0.089 0.000 1.060 851 F CB -0.808 38.149 39.000 -0.072 0.000 1.327 851 F HN 0.606 nan 8.300 nan 0.000 0.409 852 R N 0.909 121.324 120.500 -0.143 0.000 2.679 852 R HA 0.386 4.726 4.340 0.001 0.000 0.268 852 R C 0.552 176.545 176.300 -0.513 0.000 1.044 852 R CA 0.809 56.641 56.100 -0.447 0.000 1.105 852 R CB 0.989 30.758 30.300 -0.885 0.000 0.989 852 R HN 0.248 nan 8.270 nan 0.000 0.447 853 S N 2.013 117.439 115.700 -0.455 0.000 2.618 853 S HA 0.526 4.996 4.470 0.001 0.000 0.277 853 S C -0.561 174.022 174.600 -0.029 0.000 1.138 853 S CA -1.061 57.042 58.200 -0.162 0.000 0.844 853 S CB 1.381 64.570 63.200 -0.019 0.000 1.127 853 S HN 0.371 nan 8.310 nan 0.000 0.474 854 L N 1.493 122.843 121.223 0.212 0.000 2.387 854 L HA 0.712 5.053 4.340 0.001 0.000 0.266 854 L C -1.083 176.015 176.870 0.380 0.000 1.059 854 L CA -0.845 54.192 54.840 0.329 0.000 0.801 854 L CB 1.357 43.724 42.059 0.512 0.000 1.223 854 L HN 0.777 nan 8.230 nan 0.000 0.456 855 F N 1.897 121.924 119.950 0.127 0.000 2.653 855 F HA 0.485 5.012 4.527 0.001 0.000 0.327 855 F C -1.553 174.261 175.800 0.023 0.000 1.195 855 F CA -1.385 56.684 58.000 0.115 0.000 0.993 855 F CB 1.071 40.071 39.000 0.001 0.000 1.259 855 F HN 0.024 nan 8.300 nan 0.000 0.478 856 F N 5.766 125.740 119.950 0.040 0.000 2.458 856 F HA 0.666 5.193 4.527 0.001 0.000 0.336 856 F C 0.180 175.754 175.800 -0.378 0.000 1.114 856 F CA -0.629 57.257 58.000 -0.189 0.000 0.987 856 F CB 1.693 40.694 39.000 0.001 0.000 1.130 856 F HN 0.477 nan 8.300 nan 0.000 0.458 857 R N 1.008 121.277 120.500 -0.385 0.000 2.807 857 R HA 0.814 5.154 4.340 0.001 0.000 0.276 857 R C -1.553 174.574 176.300 -0.289 0.000 0.979 857 R CA -0.691 55.172 56.100 -0.394 0.000 0.928 857 R CB 1.955 31.893 30.300 -0.604 0.000 1.191 857 R HN 0.735 nan 8.270 nan 0.000 0.471 858 S N 1.998 117.495 115.700 -0.339 0.000 2.750 858 S HA 0.359 4.829 4.470 0.001 0.000 0.276 858 S C -1.141 173.281 174.600 -0.296 0.000 1.165 858 S CA -0.907 57.155 58.200 -0.230 0.000 1.047 858 S CB 0.388 63.547 63.200 -0.068 0.000 1.056 858 S HN 0.440 nan 8.310 nan 0.000 0.481 859 Y N 2.415 122.671 120.300 -0.073 0.000 2.289 859 Y HA 0.725 5.275 4.550 0.001 0.000 0.332 859 Y C 0.645 176.490 175.900 -0.092 0.000 1.324 859 Y CA -1.110 56.949 58.100 -0.069 0.000 1.478 859 Y CB 0.631 39.047 38.460 -0.073 0.000 1.378 859 Y HN 0.697 nan 8.280 nan 0.000 0.558 860 M N 1.115 120.761 119.600 0.077 0.000 2.578 860 M HA 0.373 4.853 4.480 0.001 0.000 0.276 860 M C -2.571 173.729 176.300 -0.001 0.000 1.245 860 M CA -0.398 54.871 55.300 -0.051 0.000 0.871 860 M CB 2.909 35.442 32.600 -0.111 0.000 1.722 860 M HN 0.868 nan 8.290 nan 0.000 0.473 861 D N 1.523 121.904 120.400 -0.031 0.000 2.663 861 D HA 0.413 5.054 4.640 0.001 0.000 0.233 861 D C -1.898 174.529 176.300 0.211 0.000 1.240 861 D CA -0.006 54.066 54.000 0.121 0.000 0.774 861 D CB 2.391 43.310 40.800 0.198 0.000 1.443 861 D HN 0.770 nan 8.370 nan 0.000 0.441 862 Q N 0.333 120.276 119.800 0.239 0.000 2.552 862 Q HA 0.451 4.791 4.340 0.001 0.000 0.289 862 Q C -0.776 175.254 176.000 0.050 0.000 1.097 862 Q CA -0.817 55.138 55.803 0.253 0.000 0.812 862 Q CB 2.324 31.225 28.738 0.272 0.000 1.460 862 Q HN 0.215 nan 8.270 nan 0.000 0.452 863 E N 1.440 121.621 120.200 -0.032 0.000 2.167 863 E HA 0.157 4.507 4.350 0.001 0.000 0.247 863 E C -1.094 175.466 176.600 -0.067 0.000 0.961 863 E CA -0.253 56.051 56.400 -0.159 0.000 0.797 863 E CB 0.676 30.228 29.700 -0.247 0.000 1.182 863 E HN 0.197 nan 8.360 nan 0.000 0.437 864 K N 2.082 122.452 120.400 -0.051 0.000 2.561 864 K HA 0.007 4.327 4.320 0.001 0.000 0.280 864 K C 0.295 176.818 176.600 -0.129 0.000 0.975 864 K CA 0.537 56.761 56.287 -0.105 0.000 1.024 864 K CB 0.543 32.980 32.500 -0.106 0.000 0.883 864 K HN 0.056 nan 8.250 nan 0.000 0.496 865 K N 1.796 122.031 120.400 -0.274 0.000 2.352 865 K HA 0.454 4.774 4.320 0.001 0.000 0.240 865 K C -1.373 174.937 176.600 -0.483 0.000 1.017 865 K CA -0.890 55.294 56.287 -0.170 0.000 0.851 865 K CB 1.358 33.824 32.500 -0.057 0.000 1.261 865 K HN 0.405 nan 8.250 nan 0.000 0.451 866 Y N -1.191 119.110 120.300 0.002 0.000 2.330 866 Y HA 0.195 4.745 4.550 0.001 0.000 0.324 866 Y C 1.201 177.105 175.900 0.007 0.000 1.093 866 Y CA -0.753 57.350 58.100 0.006 0.000 1.103 866 Y CB 1.546 40.009 38.460 0.004 0.000 1.183 866 Y HN 0.815 nan 8.280 nan 0.000 0.433 867 G N 2.188 111.058 108.800 0.117 0.000 2.745 867 G HA2 -0.356 3.605 3.960 0.001 0.000 0.225 867 G HA3 -0.356 3.605 3.960 0.001 0.000 0.225 867 G C 1.182 176.129 174.900 0.079 0.000 1.108 867 G CA 1.130 46.278 45.100 0.079 0.000 0.749 867 G HN 0.659 nan 8.290 nan 0.000 0.625 868 M N 1.542 121.198 119.600 0.094 0.000 2.752 868 M HA 0.253 4.733 4.480 0.001 0.000 0.216 868 M C 0.261 176.592 176.300 0.053 0.000 1.261 868 M CA -0.067 55.269 55.300 0.061 0.000 1.020 868 M CB -0.368 32.260 32.600 0.047 0.000 1.686 868 M HN 0.115 nan 8.290 nan 0.000 0.447 869 S N 1.281 117.024 115.700 0.072 0.000 3.349 869 S HA -0.145 4.325 4.470 0.001 0.000 0.437 869 S C -0.523 174.102 174.600 0.043 0.000 0.771 869 S CA 0.512 58.749 58.200 0.061 0.000 1.354 869 S CB -1.040 62.181 63.200 0.036 0.000 1.126 869 S HN 0.639 nan 8.310 nan 0.000 0.687 870 I N 2.519 123.136 120.570 0.079 0.000 2.651 870 I HA 0.267 4.437 4.170 0.001 0.000 0.287 870 I C -0.253 175.941 176.117 0.129 0.000 1.244 870 I CA -0.365 60.940 61.300 0.009 0.000 1.061 870 I CB 2.446 40.321 38.000 -0.209 0.000 1.286 870 I HN 0.406 nan 8.210 nan 0.000 0.434 871 T N 4.298 118.893 114.554 0.068 0.000 2.876 871 T HA 0.407 4.758 4.350 0.001 0.000 0.289 871 T C -0.290 174.432 174.700 0.035 0.000 1.014 871 T CA -0.736 61.413 62.100 0.083 0.000 0.986 871 T CB 2.204 71.093 68.868 0.035 0.000 1.021 871 T HN 0.429 nan 8.240 nan 0.000 0.458 872 E N 0.972 121.189 120.200 0.028 0.000 2.376 872 E HA 0.587 4.938 4.350 0.001 0.000 0.254 872 E C -0.409 176.124 176.600 -0.111 0.000 1.213 872 E CA -0.526 55.856 56.400 -0.031 0.000 0.945 872 E CB 0.700 30.372 29.700 -0.047 0.000 1.057 872 E HN 0.482 nan 8.360 nan 0.000 0.479 873 T N 0.502 114.976 114.554 -0.133 0.000 2.942 873 T HA 0.239 4.590 4.350 0.001 0.000 0.327 873 T C -1.076 173.595 174.700 -0.049 0.000 1.360 873 T CA -0.710 61.307 62.100 -0.138 0.000 1.055 873 T CB 0.457 69.308 68.868 -0.029 0.000 1.261 873 T HN 0.276 nan 8.240 nan 0.000 0.485 874 F N 3.416 123.390 119.950 0.040 0.000 2.462 874 F HA 0.353 4.880 4.527 0.001 0.000 0.354 874 F C 1.220 177.041 175.800 0.034 0.000 1.192 874 F CA -0.466 57.556 58.000 0.036 0.000 1.173 874 F CB 0.270 39.287 39.000 0.029 0.000 1.402 874 F HN 0.585 nan 8.300 nan 0.000 0.595 875 E N 1.750 122.090 120.200 0.233 0.000 2.433 875 E HA 0.381 4.732 4.350 0.001 0.000 0.264 875 E C -1.374 175.308 176.600 0.137 0.000 0.960 875 E CA -1.353 55.133 56.400 0.143 0.000 0.866 875 E CB 1.717 31.474 29.700 0.096 0.000 1.615 875 E HN 0.224 nan 8.360 nan 0.000 0.442 876 K N 1.821 122.282 120.400 0.101 0.000 2.484 876 K HA 0.328 4.649 4.320 0.001 0.000 0.226 876 K C -2.239 174.385 176.600 0.041 0.000 1.031 876 K CA -1.857 54.498 56.287 0.114 0.000 1.026 876 K CB 0.800 33.356 32.500 0.095 0.000 1.412 876 K HN 0.372 nan 8.250 nan 0.000 0.492 877 P HA 0.128 nan 4.420 nan 0.000 0.286 877 P C -1.495 175.691 177.300 -0.189 0.000 1.293 877 P CA -0.295 62.755 63.100 -0.082 0.000 0.770 877 P CB 0.639 32.295 31.700 -0.074 0.000 1.206 878 Q N -1.699 117.997 119.800 -0.172 0.000 2.887 878 Q HA 0.332 4.672 4.340 0.001 0.000 0.211 878 Q C -0.324 175.602 176.000 -0.124 0.000 0.879 878 Q CA -0.871 54.820 55.803 -0.186 0.000 1.210 878 Q CB 0.752 29.406 28.738 -0.140 0.000 1.663 878 Q HN 0.254 nan 8.270 nan 0.000 0.582 879 R N 0.518 120.941 120.500 -0.128 0.000 3.603 879 R HA -0.210 4.131 4.340 0.001 0.000 0.560 879 R C -0.356 175.903 176.300 -0.068 0.000 0.241 879 R CA 1.623 57.670 56.100 -0.087 0.000 1.735 879 R CB -2.164 28.095 30.300 -0.069 0.000 0.912 879 R HN 1.470 nan 8.270 nan 0.000 0.603 880 T N 1.154 115.678 114.554 -0.050 0.000 3.944 880 T HA -0.140 4.210 4.350 0.001 0.000 0.376 880 T C 0.502 175.180 174.700 -0.035 0.000 0.759 880 T CA 1.034 63.111 62.100 -0.039 0.000 2.034 880 T CB -0.947 67.898 68.868 -0.038 0.000 1.791 880 T HN 0.635 nan 8.240 nan 0.000 0.846 881 N N -1.095 117.586 118.700 -0.032 0.000 3.651 881 N HA -0.217 4.523 4.740 0.001 0.000 0.236 881 N C 1.426 176.918 175.510 -0.030 0.000 0.234 881 N CA 1.816 54.849 53.050 -0.028 0.000 3.447 881 N CB -1.740 36.732 38.487 -0.025 0.000 1.309 881 N HN 0.483 nan 8.380 nan 0.000 0.255 882 T N 2.495 117.030 114.554 -0.031 0.000 2.597 882 T HA -0.067 4.284 4.350 0.001 0.000 0.267 882 T C 1.649 176.327 174.700 -0.036 0.000 1.053 882 T CA 2.841 64.923 62.100 -0.031 0.000 1.165 882 T CB -0.184 68.666 68.868 -0.030 0.000 0.863 882 T HN 0.479 nan 8.240 nan 0.000 0.427 883 L N -2.707 118.488 121.223 -0.048 0.000 2.962 883 L HA -0.178 4.163 4.340 0.001 0.000 0.424 883 L C 0.503 177.336 176.870 -0.063 0.000 0.702 883 L CA 0.628 55.434 54.840 -0.058 0.000 3.054 883 L CB -1.215 40.816 42.059 -0.047 0.000 0.739 883 L HN 0.172 nan 8.230 nan 0.000 0.730 884 R N 1.998 122.471 120.500 -0.045 0.000 2.586 884 R HA 0.255 4.596 4.340 0.001 0.000 0.346 884 R C 0.201 176.481 176.300 -0.033 0.000 1.044 884 R CA 0.738 56.816 56.100 -0.036 0.000 1.004 884 R CB 0.049 30.339 30.300 -0.017 0.000 0.968 884 R HN 0.417 nan 8.270 nan 0.000 0.438 885 M N 1.094 120.667 119.600 -0.045 0.000 2.508 885 M HA 0.453 4.934 4.480 0.001 0.000 0.275 885 M C -0.274 176.047 176.300 0.034 0.000 1.251 885 M CA -0.764 54.528 55.300 -0.014 0.000 1.433 885 M CB 0.809 33.340 32.600 -0.115 0.000 1.688 885 M HN 0.033 nan 8.290 nan 0.000 0.777 886 K N 0.101 120.574 120.400 0.122 0.000 2.443 886 K HA 0.373 4.694 4.320 0.001 0.000 0.251 886 K C 0.438 177.091 176.600 0.089 0.000 0.972 886 K CA -0.609 55.749 56.287 0.118 0.000 0.833 886 K CB 1.255 33.860 32.500 0.175 0.000 1.317 886 K HN 0.537 nan 8.250 nan 0.000 0.441 887 H N 0.649 119.768 119.070 0.083 0.000 2.389 887 H HA -0.030 4.527 4.556 0.001 0.000 0.299 887 H C 0.992 176.361 175.328 0.068 0.000 1.081 887 H CA 1.359 57.443 56.048 0.060 0.000 1.345 887 H CB 0.224 30.003 29.762 0.028 0.000 1.393 887 H HN 0.769 nan 8.280 nan 0.000 0.520 888 G N 0.467 109.365 108.800 0.164 0.000 2.855 888 G HA2 -0.081 3.880 3.960 0.001 0.000 0.248 888 G HA3 -0.081 3.880 3.960 0.001 0.000 0.248 888 G C -0.243 174.715 174.900 0.097 0.000 1.243 888 G CA -0.064 45.073 45.100 0.062 0.000 0.881 888 G HN 0.205 nan 8.290 nan 0.000 0.598 889 T N 1.273 115.845 114.554 0.029 0.000 2.747 889 T HA 0.223 4.573 4.350 0.001 0.000 0.301 889 T C 0.605 175.324 174.700 0.032 0.000 0.952 889 T CA -0.120 62.020 62.100 0.066 0.000 0.983 889 T CB 0.686 69.569 68.868 0.026 0.000 0.930 889 T HN 0.411 nan 8.240 nan 0.000 0.494 890 Y N 1.984 122.274 120.300 -0.017 0.000 2.242 890 Y HA -0.132 4.418 4.550 0.001 0.000 0.291 890 Y C 2.282 178.169 175.900 -0.022 0.000 1.137 890 Y CA 0.863 58.950 58.100 -0.021 0.000 1.181 890 Y CB -0.206 38.244 38.460 -0.016 0.000 0.989 890 Y HN 0.645 nan 8.280 nan 0.000 0.527 891 D N 0.367 120.845 120.400 0.130 0.000 2.360 891 D HA -0.297 4.344 4.640 0.001 0.000 0.192 891 D C 1.704 178.018 176.300 0.023 0.000 1.025 891 D CA 1.908 55.946 54.000 0.063 0.000 0.903 891 D CB -0.270 40.555 40.800 0.041 0.000 0.900 891 D HN 0.418 nan 8.370 nan 0.000 0.452 892 K N -0.022 120.373 120.400 -0.008 0.000 2.283 892 K HA -0.005 4.315 4.320 0.001 0.000 0.202 892 K C 0.954 177.532 176.600 -0.036 0.000 1.048 892 K CA 0.030 56.298 56.287 -0.032 0.000 0.948 892 K CB 0.026 32.491 32.500 -0.059 0.000 0.742 892 K HN 0.156 nan 8.250 nan 0.000 0.458 893 L N 1.746 122.950 121.223 -0.031 0.000 2.456 893 L HA -0.054 4.286 4.340 0.001 0.000 0.272 893 L C 0.534 177.400 176.870 -0.006 0.000 1.189 893 L CA -0.177 54.646 54.840 -0.029 0.000 0.846 893 L CB 0.448 42.504 42.059 -0.005 0.000 1.111 893 L HN 0.070 nan 8.230 nan 0.000 0.475 894 D N 0.560 120.950 120.400 -0.018 0.000 2.342 894 D HA 0.029 4.669 4.640 0.001 0.000 0.284 894 D C 0.535 176.840 176.300 0.008 0.000 1.198 894 D CA -0.051 53.944 54.000 -0.007 0.000 1.061 894 D CB 0.434 41.224 40.800 -0.017 0.000 1.130 894 D HN 0.507 nan 8.370 nan 0.000 0.541 895 D N -1.467 118.940 120.400 0.011 0.000 2.327 895 D HA -0.006 4.634 4.640 0.001 0.000 0.205 895 D C 0.727 177.048 176.300 0.035 0.000 0.989 895 D CA 0.361 54.376 54.000 0.026 0.000 0.873 895 D CB 0.081 40.896 40.800 0.024 0.000 0.955 895 D HN 0.344 nan 8.370 nan 0.000 0.515 896 D N -0.542 119.869 120.400 0.018 0.000 2.371 896 D HA 0.058 4.699 4.640 0.001 0.000 0.221 896 D C 1.414 177.717 176.300 0.005 0.000 0.986 896 D CA 0.686 54.700 54.000 0.024 0.000 0.899 896 D CB -0.284 40.514 40.800 -0.004 0.000 0.902 896 D HN 0.128 nan 8.370 nan 0.000 0.530 897 G N -0.367 108.428 108.800 -0.009 0.000 2.142 897 G HA2 -0.191 3.770 3.960 0.001 0.000 0.225 897 G HA3 -0.191 3.770 3.960 0.001 0.000 0.225 897 G C -0.249 174.559 174.900 -0.152 0.000 1.015 897 G CA 0.203 45.284 45.100 -0.031 0.000 0.716 897 G HN 0.395 nan 8.290 nan 0.000 0.508 898 L N -0.852 120.289 121.223 -0.136 0.000 2.376 898 L HA 0.703 5.044 4.340 0.001 0.000 0.258 898 L C 0.493 177.297 176.870 -0.110 0.000 1.013 898 L CA -1.466 53.275 54.840 -0.164 0.000 0.822 898 L CB 1.935 43.885 42.059 -0.183 0.000 1.388 898 L HN 0.012 nan 8.230 nan 0.000 0.413 899 I N 1.096 121.599 120.570 -0.113 0.000 2.499 899 I HA 0.484 4.654 4.170 0.001 0.000 0.296 899 I C 0.487 176.562 176.117 -0.070 0.000 0.992 899 I CA -0.275 60.973 61.300 -0.087 0.000 1.297 899 I CB 1.656 39.600 38.000 -0.095 0.000 1.410 899 I HN 0.648 nan 8.210 nan 0.000 0.507 900 A N 6.340 129.128 122.820 -0.052 0.000 2.316 900 A HA 0.473 4.793 4.320 0.001 0.000 0.284 900 A C -1.731 175.830 177.584 -0.038 0.000 1.115 900 A CA -1.417 50.595 52.037 -0.041 0.000 0.812 900 A CB 0.202 19.184 19.000 -0.030 0.000 1.064 900 A HN 0.552 nan 8.150 nan 0.000 0.489 901 P HA -0.249 nan 4.420 nan 0.000 0.219 901 P C 1.637 178.922 177.300 -0.026 0.000 1.161 901 P CA 2.497 65.582 63.100 -0.025 0.000 0.909 901 P CB 0.107 31.799 31.700 -0.013 0.000 0.793 902 G N -1.018 107.769 108.800 -0.022 0.000 2.470 902 G HA2 -0.127 3.833 3.960 0.001 0.000 0.220 902 G HA3 -0.127 3.833 3.960 0.001 0.000 0.220 902 G C 0.450 175.334 174.900 -0.026 0.000 1.121 902 G CA 0.121 45.209 45.100 -0.020 0.000 0.766 902 G HN 0.202 nan 8.290 nan 0.000 0.553 903 V N -0.072 119.822 119.914 -0.032 0.000 2.928 903 V HA 0.080 4.200 4.120 0.001 0.000 0.307 903 V C 0.853 176.922 176.094 -0.041 0.000 1.105 903 V CA 0.130 62.407 62.300 -0.037 0.000 1.223 903 V CB 0.913 32.709 31.823 -0.045 0.000 0.930 903 V HN 0.322 nan 8.190 nan 0.000 0.499 904 R N 2.836 123.313 120.500 -0.038 0.000 2.346 904 R HA 0.485 4.825 4.340 0.001 0.000 0.309 904 R C -0.577 175.697 176.300 -0.044 0.000 1.119 904 R CA -0.410 55.667 56.100 -0.039 0.000 1.112 904 R CB 0.881 31.164 30.300 -0.029 0.000 1.132 904 R HN 0.756 nan 8.270 nan 0.000 0.538 905 V N 1.007 120.888 119.914 -0.056 0.000 2.904 905 V HA 0.645 4.765 4.120 0.001 0.000 0.305 905 V C 0.388 176.450 176.094 -0.054 0.000 1.067 905 V CA 0.038 62.299 62.300 -0.064 0.000 1.044 905 V CB 1.677 33.448 31.823 -0.086 0.000 1.050 905 V HN 0.811 nan 8.190 nan 0.000 0.475 906 S N 2.164 117.832 115.700 -0.053 0.000 3.881 906 S HA 0.563 5.033 4.470 0.001 0.000 0.189 906 S C 1.446 176.022 174.600 -0.040 0.000 1.135 906 S CA 0.190 58.367 58.200 -0.040 0.000 1.435 906 S CB 0.045 63.228 63.200 -0.030 0.000 1.506 906 S HN 1.450 nan 8.310 nan 0.000 0.814 907 G N 1.320 110.100 108.800 -0.034 0.000 2.509 907 G HA2 -0.096 3.865 3.960 0.001 0.000 0.180 907 G HA3 -0.096 3.865 3.960 0.001 0.000 0.180 907 G C 0.413 175.287 174.900 -0.043 0.000 1.446 907 G CA 1.026 46.108 45.100 -0.032 0.000 0.888 907 G HN 0.744 nan 8.290 nan 0.000 0.536 908 E N 1.046 121.219 120.200 -0.045 0.000 2.499 908 E HA 0.153 4.503 4.350 0.001 0.000 0.199 908 E C -0.623 175.921 176.600 -0.093 0.000 1.016 908 E CA -0.270 56.095 56.400 -0.058 0.000 0.933 908 E CB 0.160 29.845 29.700 -0.026 0.000 1.050 908 E HN 0.475 nan 8.360 nan 0.000 0.462 909 D N 0.835 121.174 120.400 -0.101 0.000 2.563 909 D HA -0.077 4.563 4.640 0.001 0.000 0.229 909 D C 0.064 176.232 176.300 -0.219 0.000 1.159 909 D CA 0.301 54.218 54.000 -0.138 0.000 0.869 909 D CB 0.730 41.459 40.800 -0.119 0.000 1.203 909 D HN -0.180 nan 8.370 nan 0.000 0.478 910 V N 1.986 121.717 119.914 -0.304 0.000 2.881 910 V HA 0.129 4.249 4.120 0.001 0.000 0.303 910 V C 1.272 177.174 176.094 -0.321 0.000 1.070 910 V CA 0.028 62.089 62.300 -0.398 0.000 1.074 910 V CB 1.189 32.588 31.823 -0.706 0.000 1.012 910 V HN 0.542 nan 8.190 nan 0.000 0.482 911 I N 2.762 123.141 120.570 -0.318 0.000 4.592 911 I HA 0.360 4.531 4.170 0.001 0.000 0.329 911 I C -0.095 175.881 176.117 -0.235 0.000 1.309 911 I CA 0.540 61.676 61.300 -0.273 0.000 1.243 911 I CB 0.654 38.448 38.000 -0.344 0.000 1.241 911 I HN 0.365 nan 8.210 nan 0.000 0.434 912 I N 0.961 121.396 120.570 -0.224 0.000 2.586 912 I HA 0.322 4.493 4.170 0.001 0.000 0.288 912 I C -0.253 175.822 176.117 -0.070 0.000 1.147 912 I CA -0.535 60.659 61.300 -0.176 0.000 1.047 912 I CB 2.027 39.932 38.000 -0.159 0.000 1.244 912 I HN -0.071 nan 8.210 nan 0.000 0.429 913 G N 5.202 113.999 108.800 -0.004 0.000 2.325 913 G HA2 0.574 4.534 3.960 0.001 0.000 0.298 913 G HA3 0.574 4.534 3.960 0.001 0.000 0.298 913 G C -0.904 174.186 174.900 0.317 0.000 1.134 913 G CA -0.267 44.927 45.100 0.157 0.000 0.876 913 G HN 0.593 nan 8.290 nan 0.000 0.452 914 K N 0.790 121.363 120.400 0.289 0.000 2.527 914 K HA 0.680 5.001 4.320 0.001 0.000 0.260 914 K C -0.923 175.759 176.600 0.138 0.000 0.937 914 K CA -0.672 55.779 56.287 0.273 0.000 0.826 914 K CB 2.132 34.797 32.500 0.275 0.000 1.359 914 K HN 0.613 nan 8.250 nan 0.000 0.434 915 T N -0.762 113.831 114.554 0.065 0.000 2.909 915 T HA 0.501 4.851 4.350 0.001 0.000 0.299 915 T C -0.821 173.888 174.700 0.015 0.000 1.073 915 T CA -0.723 61.402 62.100 0.041 0.000 0.999 915 T CB 1.781 70.670 68.868 0.034 0.000 1.098 915 T HN 0.356 nan 8.240 nan 0.000 0.477 916 T N 4.135 118.699 114.554 0.016 0.000 2.841 916 T HA 0.604 4.954 4.350 0.001 0.000 0.285 916 T C -2.829 171.861 174.700 -0.018 0.000 0.991 916 T CA -1.227 60.877 62.100 0.008 0.000 0.966 916 T CB 1.771 70.657 68.868 0.029 0.000 0.962 916 T HN 0.557 nan 8.240 nan 0.000 0.438 917 P HA 0.549 nan 4.420 nan 0.000 0.293 917 P C -1.031 176.218 177.300 -0.086 0.000 1.313 917 P CA -0.412 62.654 63.100 -0.056 0.000 0.787 917 P CB 0.892 32.557 31.700 -0.057 0.000 0.910 918 I N 2.508 123.039 120.570 -0.066 0.000 2.569 918 I HA 0.277 4.447 4.170 0.001 0.000 0.290 918 I C 0.361 176.446 176.117 -0.054 0.000 1.088 918 I CA -0.372 60.884 61.300 -0.072 0.000 1.047 918 I CB 2.457 40.424 38.000 -0.055 0.000 1.237 918 I HN 0.409 nan 8.210 nan 0.000 0.421 934 K N 3.034 123.418 120.400 -0.025 0.000 2.229 934 K HA 0.359 4.680 4.320 0.001 0.000 0.247 934 K C -0.665 175.922 176.600 -0.022 0.000 1.117 934 K CA -0.211 56.062 56.287 -0.025 0.000 1.036 934 K CB 0.492 32.971 32.500 -0.036 0.000 1.654 934 K HN 0.333 nan 8.250 nan 0.000 0.405 935 R N 1.625 122.119 120.500 -0.011 0.000 2.265 935 R HA 0.163 4.503 4.340 0.001 0.000 0.319 935 R C -0.136 176.174 176.300 0.017 0.000 1.006 935 R CA -0.725 55.375 56.100 -0.001 0.000 0.880 935 R CB 1.079 31.380 30.300 0.001 0.000 1.077 935 R HN 0.407 nan 8.270 nan 0.000 0.454 936 D N 1.825 122.240 120.400 0.026 0.000 2.344 936 D HA 0.220 4.860 4.640 0.001 0.000 0.244 936 D C -0.221 176.122 176.300 0.070 0.000 1.134 936 D CA -0.026 54.012 54.000 0.062 0.000 0.930 936 D CB 1.401 42.255 40.800 0.089 0.000 1.175 936 D HN 0.638 nan 8.370 nan 0.000 0.437 937 A N 1.831 124.706 122.820 0.093 0.000 2.504 937 A HA 0.206 4.526 4.320 0.001 0.000 0.263 937 A C 0.301 177.946 177.584 0.103 0.000 0.885 937 A CA -0.383 51.706 52.037 0.087 0.000 1.086 937 A CB 0.011 19.058 19.000 0.079 0.000 1.203 937 A HN 0.354 nan 8.150 nan 0.000 0.496 938 S N 0.765 116.531 115.700 0.111 0.000 2.587 938 S HA 0.413 4.884 4.470 0.001 0.000 0.260 938 S C 0.343 174.946 174.600 0.004 0.000 1.353 938 S CA 0.465 58.709 58.200 0.073 0.000 0.995 938 S CB 0.525 63.764 63.200 0.064 0.000 0.912 938 S HN 0.468 nan 8.310 nan 0.000 0.568 939 T N 4.090 118.602 114.554 -0.070 0.000 2.815 939 T HA 0.499 4.849 4.350 0.001 0.000 0.289 939 T C -2.628 171.924 174.700 -0.246 0.000 1.000 939 T CA -1.111 60.917 62.100 -0.120 0.000 0.958 939 T CB 1.546 70.346 68.868 -0.113 0.000 0.944 939 T HN 0.380 nan 8.240 nan 0.000 0.442 940 P HA 0.455 nan 4.420 nan 0.000 0.287 940 P C -0.640 176.430 177.300 -0.383 0.000 1.279 940 P CA -0.961 61.977 63.100 -0.271 0.000 0.867 940 P CB 1.275 32.883 31.700 -0.153 0.000 1.127 941 L N 2.564 123.559 121.223 -0.381 0.000 2.416 941 L HA 0.157 4.498 4.340 0.001 0.000 0.272 941 L C 0.913 177.725 176.870 -0.097 0.000 1.161 941 L CA 0.022 54.647 54.840 -0.358 0.000 0.845 941 L CB -0.220 41.713 42.059 -0.211 0.000 1.119 941 L HN 0.276 nan 8.230 nan 0.000 0.464 942 R N 3.760 124.311 120.500 0.086 0.000 2.770 942 R HA -0.111 4.229 4.340 0.001 0.000 0.361 942 R C 1.649 177.971 176.300 0.037 0.000 0.860 942 R CA 0.708 56.868 56.100 0.099 0.000 1.071 942 R CB -0.236 30.159 30.300 0.158 0.000 0.907 942 R HN 1.049 nan 8.270 nan 0.000 0.403 943 S N 1.704 117.409 115.700 0.008 0.000 2.654 943 S HA -0.367 4.104 4.470 0.001 0.000 0.329 943 S C 1.822 176.420 174.600 -0.003 0.000 1.311 943 S CA 2.535 60.731 58.200 -0.006 0.000 1.122 943 S CB -0.848 62.346 63.200 -0.011 0.000 1.159 943 S HN 0.779 nan 8.310 nan 0.000 0.443 944 T N -0.892 113.666 114.554 0.006 0.000 2.901 944 T HA 0.228 4.578 4.350 0.001 0.000 0.252 944 T C 0.882 175.594 174.700 0.020 0.000 1.035 944 T CA 0.484 62.589 62.100 0.009 0.000 1.142 944 T CB -0.559 68.312 68.868 0.005 0.000 0.869 944 T HN 0.626 nan 8.240 nan 0.000 0.442 945 E N 2.635 122.859 120.200 0.039 0.000 2.455 945 E HA 0.305 4.655 4.350 0.001 0.000 0.259 945 E C -0.022 176.588 176.600 0.016 0.000 1.245 945 E CA 0.189 56.617 56.400 0.046 0.000 1.013 945 E CB 0.193 29.932 29.700 0.065 0.000 0.978 945 E HN 0.697 nan 8.360 nan 0.000 0.479 946 N N -0.710 117.993 118.700 0.006 0.000 3.049 946 N HA 0.444 5.185 4.740 0.001 0.000 0.244 946 N C -0.677 174.817 175.510 -0.028 0.000 1.203 946 N CA -0.060 52.981 53.050 -0.015 0.000 0.945 946 N CB 1.119 39.600 38.487 -0.011 0.000 1.616 946 N HN 0.588 nan 8.380 nan 0.000 0.505 947 G N 0.238 109.012 108.800 -0.044 0.000 2.498 947 G HA2 0.367 4.327 3.960 0.001 0.000 0.181 947 G HA3 0.367 4.327 3.960 0.001 0.000 0.181 947 G C -1.864 172.997 174.900 -0.066 0.000 1.169 947 G CA -0.567 44.497 45.100 -0.060 0.000 0.992 947 G HN 0.612 nan 8.290 nan 0.000 0.490 948 I N 0.834 121.352 120.570 -0.088 0.000 2.545 948 I HA 0.457 4.628 4.170 0.001 0.000 0.292 948 I C 0.556 176.616 176.117 -0.095 0.000 1.040 948 I CA -1.089 60.163 61.300 -0.079 0.000 1.068 948 I CB 2.149 40.109 38.000 -0.067 0.000 1.251 948 I HN 0.325 nan 8.210 nan 0.000 0.424 949 V N 3.713 123.584 119.914 -0.073 0.000 3.484 949 V HA -0.056 4.065 4.120 0.001 0.000 0.304 949 V C 0.495 176.549 176.094 -0.067 0.000 1.116 949 V CA 0.814 63.074 62.300 -0.066 0.000 1.187 949 V CB 0.923 32.713 31.823 -0.055 0.000 1.062 949 V HN 1.033 nan 8.190 nan 0.000 0.489 950 D N -1.108 119.264 120.400 -0.048 0.000 2.292 950 D HA 0.133 4.774 4.640 0.001 0.000 0.322 950 D C 0.019 176.334 176.300 0.025 0.000 1.087 950 D CA 0.018 54.004 54.000 -0.024 0.000 0.857 950 D CB 0.560 41.318 40.800 -0.070 0.000 1.445 950 D HN 0.555 nan 8.370 nan 0.000 0.528 951 Q N 0.845 120.656 119.800 0.018 0.000 2.960 951 Q HA 0.235 4.575 4.340 0.001 0.000 0.206 951 Q C -1.902 174.102 176.000 0.007 0.000 0.959 951 Q CA -0.399 55.419 55.803 0.026 0.000 1.181 951 Q CB 1.056 29.832 28.738 0.064 0.000 1.778 951 Q HN 0.001 nan 8.270 nan 0.000 0.567 952 V N 3.450 123.357 119.914 -0.013 0.000 3.369 952 V HA 0.779 4.900 4.120 0.001 0.000 0.301 952 V C -0.112 175.965 176.094 -0.028 0.000 1.184 952 V CA -0.657 61.621 62.300 -0.037 0.000 1.013 952 V CB 1.944 33.730 31.823 -0.061 0.000 1.230 952 V HN 0.786 nan 8.190 nan 0.000 0.464 953 L N -0.822 120.374 121.223 -0.045 0.000 3.586 953 L HA 0.532 4.872 4.340 0.001 0.000 0.267 953 L C -1.828 175.028 176.870 -0.023 0.000 0.980 953 L CA -0.612 54.216 54.840 -0.020 0.000 1.199 953 L CB 1.062 43.123 42.059 0.004 0.000 1.946 953 L HN 0.327 nan 8.230 nan 0.000 0.595 954 V N 2.860 122.775 119.914 0.001 0.000 2.439 954 V HA 0.808 4.929 4.120 0.001 0.000 0.282 954 V C 0.459 176.605 176.094 0.088 0.000 1.039 954 V CA 0.193 62.513 62.300 0.033 0.000 0.913 954 V CB 1.508 33.350 31.823 0.032 0.000 0.983 954 V HN 0.967 nan 8.190 nan 0.000 0.460 955 T N 2.372 117.022 114.554 0.161 0.000 2.778 955 T HA 0.554 4.904 4.350 0.001 0.000 0.293 955 T C -0.426 174.407 174.700 0.221 0.000 1.144 955 T CA -0.583 61.632 62.100 0.191 0.000 1.010 955 T CB 2.143 71.169 68.868 0.263 0.000 1.325 955 T HN 0.625 nan 8.240 nan 0.000 0.515 956 T N 2.019 116.662 114.554 0.149 0.000 2.912 956 T HA 0.655 5.006 4.350 0.001 0.000 0.288 956 T C -0.688 174.020 174.700 0.014 0.000 1.030 956 T CA -0.783 61.375 62.100 0.097 0.000 1.020 956 T CB 1.295 70.192 68.868 0.049 0.000 1.056 956 T HN 0.539 nan 8.240 nan 0.000 0.480 957 N N 0.799 119.479 118.700 -0.034 0.000 2.354 957 N HA 0.236 4.977 4.740 0.001 0.000 0.287 957 N C 1.086 176.549 175.510 -0.079 0.000 1.016 957 N CA -0.447 52.512 53.050 -0.151 0.000 0.871 957 N CB 1.022 39.339 38.487 -0.282 0.000 1.299 957 N HN 0.681 nan 8.380 nan 0.000 0.482 958 Q N 1.144 120.903 119.800 -0.068 0.000 2.527 958 Q HA -0.377 3.963 4.340 0.001 0.000 0.231 958 Q C 0.100 176.088 176.000 -0.019 0.000 1.114 958 Q CA 2.710 58.493 55.803 -0.033 0.000 1.008 958 Q CB -0.613 28.108 28.738 -0.029 0.000 1.007 958 Q HN 0.750 nan 8.270 nan 0.000 0.546 959 D N -0.828 119.557 120.400 -0.024 0.000 2.389 959 D HA -0.045 4.595 4.640 0.001 0.000 0.221 959 D C 1.173 177.470 176.300 -0.005 0.000 0.974 959 D CA 1.384 55.376 54.000 -0.013 0.000 0.923 959 D CB -0.198 40.590 40.800 -0.020 0.000 0.892 959 D HN 0.674 nan 8.370 nan 0.000 0.518 960 G N 0.479 109.278 108.800 -0.002 0.000 2.132 960 G HA2 -0.275 3.686 3.960 0.001 0.000 0.234 960 G HA3 -0.275 3.686 3.960 0.001 0.000 0.234 960 G C 0.215 175.129 174.900 0.023 0.000 0.989 960 G CA -0.081 45.026 45.100 0.011 0.000 0.676 960 G HN 0.316 nan 8.290 nan 0.000 0.522 961 L N 0.014 121.251 121.223 0.023 0.000 2.371 961 L HA 0.416 4.756 4.340 0.001 0.000 0.272 961 L C 1.012 177.945 176.870 0.106 0.000 1.124 961 L CA -0.615 54.251 54.840 0.042 0.000 0.816 961 L CB 0.746 42.825 42.059 0.034 0.000 1.129 961 L HN -0.011 nan 8.230 nan 0.000 0.448 962 K N 2.412 122.883 120.400 0.118 0.000 2.383 962 K HA 0.210 4.531 4.320 0.001 0.000 0.286 962 K C -0.905 175.923 176.600 0.381 0.000 1.051 962 K CA -0.032 56.396 56.287 0.234 0.000 0.974 962 K CB 0.474 33.129 32.500 0.258 0.000 0.968 962 K HN 0.240 nan 8.250 nan 0.000 0.475 963 F N 3.755 123.809 119.950 0.175 0.000 2.458 963 F HA 0.401 4.928 4.527 0.001 0.000 0.336 963 F C -0.758 175.134 175.800 0.153 0.000 1.114 963 F CA -0.866 57.230 58.000 0.160 0.000 0.987 963 F CB 1.136 40.194 39.000 0.096 0.000 1.130 963 F HN 0.105 nan 8.300 nan 0.000 0.458 964 V N 5.829 125.592 119.914 -0.251 0.000 2.808 964 V HA 0.427 4.548 4.120 0.001 0.000 0.308 964 V C -1.045 174.807 176.094 -0.403 0.000 1.099 964 V CA -1.074 61.060 62.300 -0.277 0.000 0.920 964 V CB 2.398 34.064 31.823 -0.262 0.000 1.014 964 V HN 0.639 nan 8.190 nan 0.000 0.425 965 K N 3.246 123.470 120.400 -0.293 0.000 2.463 965 K HA 0.744 5.064 4.320 0.001 0.000 0.255 965 K C -1.331 175.207 176.600 -0.103 0.000 0.942 965 K CA -0.542 55.620 56.287 -0.209 0.000 0.814 965 K CB 2.406 34.797 32.500 -0.182 0.000 1.122 965 K HN 0.458 nan 8.250 nan 0.000 0.425 966 V N 2.765 122.647 119.914 -0.053 0.000 2.630 966 V HA 0.512 4.632 4.120 0.001 0.000 0.305 966 V C -0.170 175.945 176.094 0.036 0.000 1.046 966 V CA -0.935 61.357 62.300 -0.014 0.000 0.934 966 V CB 1.714 33.526 31.823 -0.017 0.000 1.003 966 V HN 0.691 nan 8.190 nan 0.000 0.451 967 R N 2.036 122.551 120.500 0.025 0.000 2.621 967 R HA 0.787 5.127 4.340 0.001 0.000 0.292 967 R C -1.947 174.340 176.300 -0.021 0.000 0.969 967 R CA -0.387 55.726 56.100 0.021 0.000 0.887 967 R CB 2.160 32.505 30.300 0.075 0.000 1.180 967 R HN 0.563 nan 8.270 nan 0.000 0.450 968 V N 4.172 124.034 119.914 -0.086 0.000 2.715 968 V HA 0.579 4.699 4.120 0.001 0.000 0.310 968 V C -0.350 175.535 176.094 -0.348 0.000 1.054 968 V CA -0.831 61.376 62.300 -0.155 0.000 0.928 968 V CB 1.848 33.618 31.823 -0.089 0.000 1.007 968 V HN 0.682 nan 8.190 nan 0.000 0.437 969 R N 2.028 122.301 120.500 -0.378 0.000 2.637 969 R HA 0.748 5.089 4.340 0.001 0.000 0.291 969 R C -1.201 174.899 176.300 -0.334 0.000 0.963 969 R CA -0.167 55.585 56.100 -0.579 0.000 0.901 969 R CB 2.159 32.032 30.300 -0.712 0.000 1.160 969 R HN 0.841 nan 8.270 nan 0.000 0.457 970 T N 1.189 115.573 114.554 -0.283 0.000 2.901 970 T HA 0.401 4.751 4.350 0.001 0.000 0.293 970 T C -0.954 173.752 174.700 0.009 0.000 1.084 970 T CA -0.511 61.537 62.100 -0.087 0.000 1.008 970 T CB 1.953 70.820 68.868 -0.002 0.000 1.170 970 T HN 0.450 nan 8.240 nan 0.000 0.509 971 T N 2.505 117.083 114.554 0.041 0.000 2.815 971 T HA 0.433 4.784 4.350 0.001 0.000 0.289 971 T C -0.559 174.134 174.700 -0.012 0.000 1.000 971 T CA -0.707 61.423 62.100 0.050 0.000 0.958 971 T CB 0.730 69.658 68.868 0.099 0.000 0.944 971 T HN 0.330 nan 8.240 nan 0.000 0.442 972 K N 3.323 123.696 120.400 -0.045 0.000 2.185 972 K HA 0.563 4.883 4.320 0.001 0.000 0.269 972 K C -0.378 176.150 176.600 -0.119 0.000 0.987 972 K CA -0.596 55.653 56.287 -0.063 0.000 0.865 972 K CB 1.659 34.125 32.500 -0.055 0.000 1.090 972 K HN 0.504 nan 8.250 nan 0.000 0.450 973 I N 4.860 125.376 120.570 -0.090 0.000 2.428 973 I HA 0.234 4.405 4.170 0.001 0.000 0.296 973 I C -1.869 174.219 176.117 -0.048 0.000 0.985 973 I CA -2.547 58.704 61.300 -0.082 0.000 1.260 973 I CB 1.478 39.442 38.000 -0.059 0.000 1.389 973 I HN 0.378 nan 8.210 nan 0.000 0.484 974 P HA 0.019 nan 4.420 nan 0.000 0.263 974 P C -0.982 176.313 177.300 -0.008 0.000 1.195 974 P CA 0.219 63.338 63.100 0.032 0.000 0.762 974 P CB 1.120 32.937 31.700 0.194 0.000 0.799 975 Q N 2.313 122.074 119.800 -0.065 0.000 2.990 975 Q HA 0.381 4.721 4.340 0.001 0.000 0.255 975 Q C 1.257 177.211 176.000 -0.077 0.000 1.040 975 Q CA -0.886 54.879 55.803 -0.064 0.000 0.897 975 Q CB 1.309 30.001 28.738 -0.076 0.000 1.429 975 Q HN 0.240 nan 8.270 nan 0.000 0.497 976 I N -0.168 120.360 120.570 -0.069 0.000 2.406 976 I HA -0.044 4.126 4.170 0.001 0.000 0.249 976 I C 1.646 177.706 176.117 -0.095 0.000 1.122 976 I CA 1.225 62.486 61.300 -0.066 0.000 1.431 976 I CB -0.136 37.837 38.000 -0.045 0.000 1.087 976 I HN 0.820 nan 8.210 nan 0.000 0.424 977 G N -0.111 108.623 108.800 -0.111 0.000 2.712 977 G HA2 -0.076 3.884 3.960 0.001 0.000 0.212 977 G HA3 -0.076 3.884 3.960 0.001 0.000 0.212 977 G C 0.189 174.971 174.900 -0.196 0.000 1.142 977 G CA -0.131 44.891 45.100 -0.130 0.000 0.789 977 G HN 0.252 nan 8.290 nan 0.000 0.535 978 D N 0.272 120.517 120.400 -0.259 0.000 2.419 978 D HA 0.251 4.891 4.640 0.001 0.000 0.236 978 D C 0.515 176.479 176.300 -0.560 0.000 1.165 978 D CA 0.529 54.280 54.000 -0.415 0.000 0.882 978 D CB 0.977 41.479 40.800 -0.497 0.000 1.201 978 D HN 0.123 nan 8.370 nan 0.000 0.443 979 K N 0.976 121.014 120.400 -0.604 0.000 2.095 979 K HA 0.630 4.950 4.320 0.001 0.000 0.252 979 K C -1.113 175.019 176.600 -0.780 0.000 0.977 979 K CA -0.490 55.496 56.287 -0.502 0.000 0.900 979 K CB 0.753 33.099 32.500 -0.257 0.000 1.060 979 K HN 0.403 nan 8.250 nan 0.000 0.449 980 F N 0.055 119.925 119.950 -0.134 0.000 2.693 980 F HA 0.607 5.134 4.527 0.001 0.000 0.309 980 F C -0.933 174.876 175.800 0.016 0.000 1.129 980 F CA -1.003 56.909 58.000 -0.145 0.000 0.948 980 F CB 2.530 41.362 39.000 -0.280 0.000 1.315 980 F HN 0.648 nan 8.300 nan 0.000 0.447 981 A N 0.988 124.047 122.820 0.398 0.000 2.594 981 A HA 0.613 4.934 4.320 0.001 0.000 0.296 981 A C -0.640 177.131 177.584 0.311 0.000 1.056 981 A CA -0.268 52.003 52.037 0.390 0.000 0.693 981 A CB 1.099 20.219 19.000 0.200 0.000 1.278 981 A HN 0.855 nan 8.150 nan 0.000 0.408 982 S N 1.245 116.993 115.700 0.081 0.000 2.207 982 S HA 0.439 4.909 4.470 0.001 0.000 0.226 982 S C 0.530 175.092 174.600 -0.064 0.000 1.286 982 S CA 0.110 58.097 58.200 -0.355 0.000 1.004 982 S CB 0.053 63.053 63.200 -0.332 0.000 0.907 982 S HN 0.690 nan 8.310 nan 0.000 0.443 983 R N 0.401 120.895 120.500 -0.010 0.000 2.748 983 R HA 0.368 4.708 4.340 0.001 0.000 0.395 983 R C -0.534 175.473 176.300 -0.487 0.000 1.128 983 R CA -0.161 55.822 56.100 -0.194 0.000 1.042 983 R CB 0.111 30.264 30.300 -0.245 0.000 1.392 983 R HN 0.614 nan 8.270 nan 0.000 0.582 984 H N -0.690 118.424 119.070 0.074 0.000 3.237 984 H HA 0.134 4.690 4.556 0.001 0.000 0.224 984 H C 0.428 175.799 175.328 0.071 0.000 1.370 984 H CA -0.072 56.023 56.048 0.079 0.000 1.112 984 H CB 1.354 31.190 29.762 0.122 0.000 2.482 984 H HN 0.463 nan 8.280 nan 0.000 0.561 985 G N 2.251 111.152 108.800 0.169 0.000 2.366 985 G HA2 -0.334 3.626 3.960 0.001 0.000 0.299 985 G HA3 -0.334 3.626 3.960 0.001 0.000 0.299 985 G C 0.565 175.568 174.900 0.173 0.000 1.020 985 G CA 0.559 45.781 45.100 0.203 0.000 1.026 985 G HN 0.378 nan 8.290 nan 0.000 0.512 986 Q N -0.055 119.848 119.800 0.172 0.000 2.201 986 Q HA 0.205 4.546 4.340 0.001 0.000 0.217 986 Q C 1.356 177.459 176.000 0.172 0.000 0.860 986 Q CA 0.026 55.918 55.803 0.148 0.000 0.984 986 Q CB 0.018 28.852 28.738 0.159 0.000 1.095 986 Q HN 0.816 nan 8.270 nan 0.000 0.477 987 K N -0.890 119.598 120.400 0.147 0.000 2.578 987 K HA 0.221 4.542 4.320 0.001 0.000 0.279 987 K C 0.168 176.823 176.600 0.091 0.000 0.983 987 K CA 0.896 57.252 56.287 0.114 0.000 1.078 987 K CB 0.073 32.610 32.500 0.062 0.000 0.852 987 K HN 0.160 nan 8.250 nan 0.000 0.490 988 G N 1.318 110.166 108.800 0.080 0.000 2.632 988 G HA2 0.444 4.405 3.960 0.001 0.000 0.292 988 G HA3 0.444 4.405 3.960 0.001 0.000 0.292 988 G C -1.187 173.718 174.900 0.009 0.000 1.465 988 G CA -0.607 44.520 45.100 0.046 0.000 0.824 988 G HN 0.792 nan 8.290 nan 0.000 0.509 989 T N -1.333 113.202 114.554 -0.030 0.000 2.942 989 T HA 0.754 5.104 4.350 0.001 0.000 0.289 989 T C 0.565 175.239 174.700 -0.043 0.000 1.044 989 T CA -0.763 61.283 62.100 -0.090 0.000 1.023 989 T CB 1.296 70.089 68.868 -0.126 0.000 1.123 989 T HN 0.517 nan 8.240 nan 0.000 0.512 990 I N 0.722 121.254 120.570 -0.063 0.000 3.194 990 I HA 0.401 4.572 4.170 0.001 0.000 0.283 990 I C 1.579 177.693 176.117 -0.004 0.000 1.199 990 I CA 0.179 61.478 61.300 -0.002 0.000 1.328 990 I CB 0.440 38.437 38.000 -0.006 0.000 1.404 990 I HN 1.002 nan 8.210 nan 0.000 0.618 991 G N 3.407 112.232 108.800 0.042 0.000 2.633 991 G HA2 0.357 4.318 3.960 0.001 0.000 0.198 991 G HA3 0.357 4.318 3.960 0.001 0.000 0.198 991 G C -0.050 174.918 174.900 0.114 0.000 1.198 991 G CA 0.221 45.360 45.100 0.065 0.000 0.685 991 G HN 0.492 nan 8.290 nan 0.000 0.868 992 I N 1.117 121.737 120.570 0.083 0.000 2.947 992 I HA 0.445 4.616 4.170 0.001 0.000 0.301 992 I C -1.355 174.678 176.117 -0.140 0.000 1.453 992 I CA -0.786 60.483 61.300 -0.050 0.000 0.984 992 I CB 2.359 40.277 38.000 -0.136 0.000 1.333 992 I HN 0.142 nan 8.210 nan 0.000 0.475 993 T N 1.457 115.873 114.554 -0.229 0.000 2.855 993 T HA 0.669 5.020 4.350 0.001 0.000 0.281 993 T C -1.026 173.505 174.700 -0.282 0.000 1.007 993 T CA -0.426 61.585 62.100 -0.148 0.000 1.009 993 T CB 1.401 70.234 68.868 -0.059 0.000 0.983 993 T HN 0.458 nan 8.240 nan 0.000 0.455 994 Y N 0.096 120.414 120.300 0.031 0.000 2.662 994 Y HA 0.713 5.264 4.550 0.001 0.000 0.335 994 Y C 0.683 176.614 175.900 0.053 0.000 1.066 994 Y CA -1.509 56.617 58.100 0.044 0.000 1.116 994 Y CB 2.253 40.758 38.460 0.075 0.000 1.308 994 Y HN 0.530 nan 8.280 nan 0.000 0.502 995 R N -0.247 120.426 120.500 0.289 0.000 2.854 995 R HA 0.433 4.773 4.340 0.001 0.000 0.271 995 R C 0.708 177.110 176.300 0.170 0.000 0.996 995 R CA -0.937 55.269 56.100 0.177 0.000 0.961 995 R CB 1.518 31.898 30.300 0.132 0.000 1.182 995 R HN 0.666 nan 8.270 nan 0.000 0.479 996 R N 0.910 121.489 120.500 0.133 0.000 2.174 996 R HA -0.262 4.078 4.340 0.001 0.000 0.253 996 R C 1.182 177.582 176.300 0.167 0.000 1.165 996 R CA 1.915 58.096 56.100 0.136 0.000 0.984 996 R CB -0.172 30.188 30.300 0.100 0.000 0.873 996 R HN 0.563 nan 8.270 nan 0.000 0.456 997 E N 0.510 120.802 120.200 0.154 0.000 2.031 997 E HA -0.157 4.193 4.350 0.001 0.000 0.193 997 E C 1.470 178.202 176.600 0.219 0.000 0.994 997 E CA 1.476 57.979 56.400 0.171 0.000 0.800 997 E CB -0.143 29.638 29.700 0.136 0.000 0.752 997 E HN 0.353 nan 8.360 nan 0.000 0.447 998 D N -0.291 120.243 120.400 0.224 0.000 2.289 998 D HA -0.002 4.638 4.640 0.001 0.000 0.207 998 D C 0.542 176.880 176.300 0.063 0.000 0.966 998 D CA 0.190 54.337 54.000 0.245 0.000 0.868 998 D CB -0.051 40.946 40.800 0.328 0.000 0.943 998 D HN 0.148 nan 8.370 nan 0.000 0.514 999 M N 2.225 121.878 119.600 0.089 0.000 2.248 999 M HA 0.141 4.621 4.480 0.001 0.000 0.337 999 M C -2.388 173.874 176.300 -0.063 0.000 1.121 999 M CA -1.616 53.684 55.300 0.001 0.000 1.155 999 M CB 0.806 33.440 32.600 0.057 0.000 1.514 999 M HN -0.252 nan 8.290 nan 0.000 0.452 1000 P HA 0.206 nan 4.420 nan 0.000 0.282 1000 P C -1.531 175.669 177.300 -0.166 0.000 1.262 1000 P CA -0.173 62.663 63.100 -0.441 0.000 0.773 1000 P CB -0.007 31.178 31.700 -0.858 0.000 0.879 1001 F N 0.167 120.148 119.950 0.052 0.000 2.575 1001 F HA 0.764 5.292 4.527 0.001 0.000 0.330 1001 F C -0.151 175.774 175.800 0.208 0.000 1.056 1001 F CA -1.624 56.454 58.000 0.129 0.000 0.964 1001 F CB 0.826 39.879 39.000 0.090 0.000 1.258 1001 F HN 0.213 nan 8.300 nan 0.000 0.484 1002 T N 0.981 115.856 114.554 0.536 0.000 2.771 1002 T HA 0.538 4.888 4.350 0.001 0.000 0.281 1002 T C 1.098 176.014 174.700 0.360 0.000 0.982 1002 T CA -0.081 62.249 62.100 0.384 0.000 0.978 1002 T CB 1.021 69.945 68.868 0.093 0.000 0.930 1002 T HN 1.166 nan 8.240 nan 0.000 0.447 1003 A N 4.291 127.363 122.820 0.419 0.000 1.984 1003 A HA -0.229 4.091 4.320 0.001 0.000 0.224 1003 A C 2.151 179.778 177.584 0.071 0.000 1.256 1003 A CA 2.363 54.527 52.037 0.212 0.000 0.679 1003 A CB -0.946 18.209 19.000 0.259 0.000 0.829 1003 A HN 0.929 nan 8.150 nan 0.000 0.483 1004 E N -1.974 118.283 120.200 0.095 0.000 2.187 1004 E HA -0.141 4.209 4.350 0.001 0.000 0.199 1004 E C 1.691 178.291 176.600 0.000 0.000 1.004 1004 E CA 1.569 58.002 56.400 0.055 0.000 0.813 1004 E CB -0.352 29.400 29.700 0.087 0.000 0.736 1004 E HN 0.953 nan 8.360 nan 0.000 0.468 1005 G N 0.398 109.191 108.800 -0.011 0.000 2.697 1005 G HA2 -0.241 3.719 3.960 0.001 0.000 0.200 1005 G HA3 -0.241 3.719 3.960 0.001 0.000 0.200 1005 G C 0.563 175.459 174.900 -0.007 0.000 1.106 1005 G CA -0.075 44.987 45.100 -0.064 0.000 0.748 1005 G HN 0.259 nan 8.290 nan 0.000 0.503 1006 I N 0.792 121.358 120.570 -0.006 0.000 3.160 1006 I HA 0.364 4.535 4.170 0.001 0.000 0.311 1006 I C 0.650 176.851 176.117 0.141 0.000 1.218 1006 I CA 0.007 61.309 61.300 0.004 0.000 1.440 1006 I CB 0.209 38.115 38.000 -0.157 0.000 1.310 1006 I HN 0.380 nan 8.210 nan 0.000 0.575 1007 V N 4.970 125.019 119.914 0.226 0.000 3.120 1007 V HA 0.565 4.685 4.120 0.001 0.000 0.303 1007 V C -2.320 173.974 176.094 0.332 0.000 1.238 1007 V CA -1.509 60.986 62.300 0.326 0.000 1.008 1007 V CB 2.635 34.587 31.823 0.214 0.000 1.064 1007 V HN 0.874 nan 8.190 nan 0.000 0.434 1008 P HA 0.350 nan 4.420 nan 0.000 0.274 1008 P C -0.787 176.511 177.300 -0.003 0.000 1.246 1008 P CA 0.096 63.167 63.100 -0.048 0.000 0.795 1008 P CB 1.159 32.619 31.700 -0.399 0.000 1.006 1009 D N -0.679 119.712 120.400 -0.016 0.000 2.454 1009 D HA 0.170 4.810 4.640 0.001 0.000 0.219 1009 D C 0.240 176.524 176.300 -0.027 0.000 1.081 1009 D CA 0.639 54.641 54.000 0.003 0.000 0.867 1009 D CB 0.456 41.261 40.800 0.009 0.000 1.054 1009 D HN 0.108 nan 8.370 nan 0.000 0.500 1010 L N 0.309 121.485 121.223 -0.078 0.000 2.359 1010 L HA 0.509 4.849 4.340 0.001 0.000 0.256 1010 L C -1.199 175.595 176.870 -0.127 0.000 1.026 1010 L CA -0.798 53.976 54.840 -0.111 0.000 0.828 1010 L CB 2.504 44.455 42.059 -0.180 0.000 1.406 1010 L HN -0.176 nan 8.230 nan 0.000 0.413 1011 I N 3.953 124.470 120.570 -0.087 0.000 2.878 1011 I HA 0.247 4.417 4.170 0.001 0.000 0.286 1011 I C -0.145 175.959 176.117 -0.020 0.000 1.593 1011 I CA -0.272 60.978 61.300 -0.083 0.000 0.806 1011 I CB 0.742 38.704 38.000 -0.064 0.000 1.811 1011 I HN 0.463 nan 8.210 nan 0.000 0.593 1012 I N -0.696 119.870 120.570 -0.007 0.000 2.696 1012 I HA 0.273 4.444 4.170 0.001 0.000 0.284 1012 I C 0.501 176.631 176.117 0.022 0.000 1.129 1012 I CA 0.065 61.384 61.300 0.032 0.000 1.410 1012 I CB 0.589 38.640 38.000 0.084 0.000 1.399 1012 I HN 0.390 nan 8.210 nan 0.000 0.579 1013 N N 7.230 125.951 118.700 0.036 0.000 2.497 1013 N HA 0.149 4.889 4.740 0.001 0.000 0.268 1013 N C -1.498 173.998 175.510 -0.023 0.000 1.171 1013 N CA -1.564 51.502 53.050 0.027 0.000 0.948 1013 N CB 1.324 39.866 38.487 0.091 0.000 1.069 1013 N HN 0.518 nan 8.380 nan 0.000 0.460 1014 P HA -0.185 nan 4.420 nan 0.000 0.216 1014 P C 0.823 178.017 177.300 -0.177 0.000 1.150 1014 P CA 1.474 64.466 63.100 -0.179 0.000 0.843 1014 P CB -0.007 31.535 31.700 -0.263 0.000 0.787 1015 H N 0.467 119.523 119.070 -0.023 0.000 2.489 1015 H HA 0.000 4.556 4.556 0.001 0.000 0.295 1015 H C 1.714 177.021 175.328 -0.035 0.000 1.082 1015 H CA 1.317 57.350 56.048 -0.025 0.000 1.295 1015 H CB -0.725 29.028 29.762 -0.015 0.000 1.380 1015 H HN 0.175 nan 8.280 nan 0.000 0.548 1016 A N 0.705 123.560 122.820 0.058 0.000 2.250 1016 A HA 0.029 4.349 4.320 0.001 0.000 0.208 1016 A C 1.668 179.222 177.584 -0.050 0.000 1.254 1016 A CA 0.378 52.419 52.037 0.007 0.000 0.858 1016 A CB -0.490 18.506 19.000 -0.007 0.000 0.820 1016 A HN 0.156 nan 8.150 nan 0.000 0.484 1017 I N -1.148 119.392 120.570 -0.049 0.000 3.632 1017 I HA 0.100 4.270 4.170 0.001 0.000 0.246 1017 I C -0.800 175.285 176.117 -0.053 0.000 1.125 1017 I CA -0.203 61.047 61.300 -0.083 0.000 1.519 1017 I CB -1.898 36.032 38.000 -0.118 0.000 1.555 1017 I HN -0.007 nan 8.210 nan 0.000 0.452 1018 P HA -0.233 nan 4.420 nan 0.000 0.226 1018 P C 1.639 178.929 177.300 -0.016 0.000 1.154 1018 P CA 2.863 65.952 63.100 -0.018 0.000 0.901 1018 P CB 0.007 31.711 31.700 0.007 0.000 0.788 1019 S N -3.325 112.368 115.700 -0.012 0.000 2.497 1019 S HA 0.128 4.599 4.470 0.001 0.000 0.218 1019 S C 1.768 176.351 174.600 -0.028 0.000 1.023 1019 S CA -0.282 57.908 58.200 -0.016 0.000 0.913 1019 S CB -0.295 62.899 63.200 -0.009 0.000 0.800 1019 S HN -0.029 nan 8.310 nan 0.000 0.505 1020 R N 1.256 121.736 120.500 -0.034 0.000 2.148 1020 R HA 0.233 4.573 4.340 0.001 0.000 0.223 1020 R C 0.650 176.922 176.300 -0.047 0.000 1.088 1020 R CA 0.500 56.572 56.100 -0.047 0.000 0.985 1020 R CB -0.977 29.294 30.300 -0.049 0.000 0.880 1020 R HN 0.505 nan 8.270 nan 0.000 0.451 1021 M N 1.311 120.886 119.600 -0.042 0.000 2.460 1021 M HA -0.175 4.305 4.480 0.001 0.000 0.182 1021 M C -0.201 176.085 176.300 -0.023 0.000 0.903 1021 M CA 0.919 56.199 55.300 -0.033 0.000 0.555 1021 M CB -1.534 31.053 32.600 -0.022 0.000 1.106 1021 M HN 0.027 nan 8.290 nan 0.000 0.867 1022 T N -0.387 114.144 114.554 -0.038 0.000 3.154 1022 T HA 0.511 4.862 4.350 0.001 0.000 0.381 1022 T C 0.744 175.412 174.700 -0.054 0.000 1.368 1022 T CA -0.654 61.436 62.100 -0.016 0.000 1.155 1022 T CB 0.451 69.307 68.868 -0.020 0.000 1.120 1022 T HN 0.250 nan 8.240 nan 0.000 0.570 1023 V N 3.841 123.746 119.914 -0.015 0.000 2.591 1023 V HA 0.051 4.172 4.120 0.001 0.000 0.249 1023 V C 2.944 179.002 176.094 -0.060 0.000 1.053 1023 V CA 1.620 63.890 62.300 -0.051 0.000 1.068 1023 V CB -1.023 30.780 31.823 -0.033 0.000 0.689 1023 V HN 0.880 nan 8.190 nan 0.000 0.462 1024 A N 0.123 122.962 122.820 0.031 0.000 1.927 1024 A HA -0.353 3.968 4.320 0.001 0.000 0.220 1024 A C 2.256 179.798 177.584 -0.069 0.000 1.185 1024 A CA 2.396 54.524 52.037 0.151 0.000 0.639 1024 A CB -0.950 18.331 19.000 0.467 0.000 0.820 1024 A HN 0.700 nan 8.150 nan 0.000 0.451 1025 H N -0.104 118.465 119.070 -0.834 0.000 2.319 1025 H HA -0.091 4.465 4.556 0.001 0.000 0.299 1025 H C 2.003 177.197 175.328 -0.224 0.000 1.092 1025 H CA 1.953 57.472 56.048 -0.882 0.000 1.302 1025 H CB -0.496 28.779 29.762 -0.811 0.000 1.373 1025 H HN 0.420 nan 8.280 nan 0.000 0.497 1026 L N 0.221 121.476 121.223 0.053 0.000 2.043 1026 L HA -0.214 4.126 4.340 0.001 0.000 0.212 1026 L C 2.845 179.747 176.870 0.053 0.000 1.075 1026 L CA 1.398 56.237 54.840 -0.003 0.000 0.752 1026 L CB -0.291 41.657 42.059 -0.184 0.000 0.891 1026 L HN 0.293 nan 8.230 nan 0.000 0.432 1027 I N -0.690 119.893 120.570 0.023 0.000 2.233 1027 I HA -0.300 3.870 4.170 0.001 0.000 0.243 1027 I C 2.475 178.738 176.117 0.245 0.000 1.093 1027 I CA 1.164 62.503 61.300 0.065 0.000 1.380 1027 I CB -0.399 37.480 38.000 -0.203 0.000 1.067 1027 I HN 0.358 nan 8.210 nan 0.000 0.413 1028 E N 0.695 121.064 120.200 0.283 0.000 2.164 1028 E HA -0.379 3.972 4.350 0.001 0.000 0.206 1028 E C 2.351 179.027 176.600 0.127 0.000 1.032 1028 E CA 2.290 58.806 56.400 0.194 0.000 0.832 1028 E CB -0.251 29.493 29.700 0.072 0.000 0.742 1028 E HN 0.603 nan 8.360 nan 0.000 0.460 1029 C N -0.059 119.322 119.300 0.134 0.000 2.388 1029 C HA -0.185 4.276 4.460 0.001 0.000 0.277 1029 C C 2.640 177.688 174.990 0.096 0.000 1.210 1029 C CA 1.217 60.301 59.018 0.110 0.000 1.743 1029 C CB -1.292 26.586 27.740 0.231 0.000 2.047 1029 C HN 0.631 nan 8.230 nan 0.000 0.458 1030 L N 0.601 121.952 121.223 0.214 0.000 1.971 1030 L HA -0.100 4.240 4.340 0.001 0.000 0.215 1030 L C 2.392 179.331 176.870 0.114 0.000 1.072 1030 L CA 2.252 57.189 54.840 0.161 0.000 0.758 1030 L CB -1.171 41.018 42.059 0.217 0.000 0.889 1030 L HN 0.502 nan 8.230 nan 0.000 0.433 1031 L N -1.442 119.874 121.223 0.155 0.000 2.043 1031 L HA -0.222 4.119 4.340 0.001 0.000 0.212 1031 L C 2.454 179.368 176.870 0.074 0.000 1.075 1031 L CA 2.115 57.044 54.840 0.148 0.000 0.752 1031 L CB -0.843 41.370 42.059 0.258 0.000 0.891 1031 L HN 0.263 nan 8.230 nan 0.000 0.432 1032 S N -0.794 114.935 115.700 0.049 0.000 2.371 1032 S HA -0.162 4.308 4.470 0.001 0.000 0.224 1032 S C 1.937 176.519 174.600 -0.030 0.000 1.029 1032 S CA 1.181 59.380 58.200 -0.002 0.000 0.978 1032 S CB -0.269 62.926 63.200 -0.008 0.000 0.833 1032 S HN 0.456 nan 8.310 nan 0.000 0.466 1033 K N 0.985 121.361 120.400 -0.040 0.000 2.281 1033 K HA -0.063 4.257 4.320 0.001 0.000 0.203 1033 K C 1.743 178.288 176.600 -0.092 0.000 1.046 1033 K CA 0.825 57.052 56.287 -0.099 0.000 0.938 1033 K CB -0.075 32.345 32.500 -0.133 0.000 0.737 1033 K HN 0.156 nan 8.250 nan 0.000 0.458 1034 V N 0.663 120.557 119.914 -0.034 0.000 2.284 1034 V HA -0.098 4.022 4.120 0.001 0.000 0.236 1034 V C 1.954 178.015 176.094 -0.054 0.000 1.044 1034 V CA 1.734 64.022 62.300 -0.021 0.000 1.019 1034 V CB -0.341 31.515 31.823 0.055 0.000 0.657 1034 V HN 0.432 nan 8.190 nan 0.000 0.465 1035 A N -0.384 122.427 122.820 -0.016 0.000 2.272 1035 A HA 0.045 4.366 4.320 0.001 0.000 0.213 1035 A C 2.022 179.575 177.584 -0.052 0.000 1.183 1035 A CA 1.563 53.587 52.037 -0.022 0.000 0.719 1035 A CB -0.616 18.378 19.000 -0.010 0.000 0.771 1035 A HN 0.623 nan 8.150 nan 0.000 0.484 1036 A N -0.979 121.795 122.820 -0.077 0.000 2.030 1036 A HA 0.330 4.650 4.320 0.001 0.000 0.215 1036 A C 1.903 179.424 177.584 -0.105 0.000 1.164 1036 A CA 0.804 52.790 52.037 -0.086 0.000 0.697 1036 A CB -0.141 18.801 19.000 -0.096 0.000 0.827 1036 A HN 0.456 nan 8.150 nan 0.000 0.457 1037 L N -0.377 120.748 121.223 -0.163 0.000 2.221 1037 L HA -0.015 4.325 4.340 0.001 0.000 0.202 1037 L C 2.808 179.576 176.870 -0.171 0.000 1.074 1037 L CA 1.235 55.931 54.840 -0.241 0.000 0.795 1037 L CB -0.247 41.479 42.059 -0.555 0.000 0.960 1037 L HN 0.478 nan 8.230 nan 0.000 0.458 1038 S N -0.227 115.402 115.700 -0.119 0.000 2.436 1038 S HA 0.032 4.503 4.470 0.001 0.000 0.228 1038 S C 1.678 176.287 174.600 0.014 0.000 1.014 1038 S CA 0.608 58.827 58.200 0.031 0.000 0.950 1038 S CB -0.073 63.185 63.200 0.095 0.000 0.784 1038 S HN 0.509 nan 8.310 nan 0.000 0.504 1039 G N 1.542 110.332 108.800 -0.017 0.000 2.153 1039 G HA2 -0.229 3.731 3.960 0.001 0.000 0.252 1039 G HA3 -0.229 3.731 3.960 0.001 0.000 0.252 1039 G C -0.137 174.757 174.900 -0.010 0.000 0.994 1039 G CA 0.158 45.248 45.100 -0.018 0.000 0.698 1039 G HN 0.539 nan 8.290 nan 0.000 0.521 1040 N N 1.136 119.836 118.700 0.000 0.000 2.817 1040 N HA 0.215 4.955 4.740 0.001 0.000 0.234 1040 N C 0.355 175.861 175.510 -0.007 0.000 1.066 1040 N CA -0.200 52.853 53.050 0.005 0.000 0.926 1040 N CB 0.687 39.191 38.487 0.028 0.000 1.176 1040 N HN 0.638 nan 8.380 nan 0.000 0.506 1041 E N 1.302 121.486 120.200 -0.026 0.000 3.587 1041 E HA -0.145 4.206 4.350 0.001 0.000 0.235 1041 E C 0.435 177.016 176.600 -0.032 0.000 0.912 1041 E CA -0.081 56.293 56.400 -0.043 0.000 0.933 1041 E CB -0.053 29.613 29.700 -0.057 0.000 0.865 1041 E HN 0.484 nan 8.360 nan 0.000 0.567 1042 G N 4.238 113.023 108.800 -0.024 0.000 2.559 1042 G HA2 -0.063 3.897 3.960 0.001 0.000 0.235 1042 G HA3 -0.063 3.897 3.960 0.001 0.000 0.235 1042 G C -0.417 174.469 174.900 -0.023 0.000 1.266 1042 G CA -0.303 44.798 45.100 0.002 0.000 0.847 1042 G HN 0.656 nan 8.290 nan 0.000 0.583 1043 D N 0.317 120.728 120.400 0.017 0.000 2.392 1043 D HA 0.520 5.160 4.640 0.001 0.000 0.228 1043 D C 0.657 176.958 176.300 0.003 0.000 1.074 1043 D CA -0.143 53.855 54.000 -0.004 0.000 0.838 1043 D CB 1.202 42.028 40.800 0.044 0.000 1.067 1043 D HN 0.336 nan 8.370 nan 0.000 0.511 1044 A N 2.814 125.499 122.820 -0.224 0.000 2.430 1044 A HA 0.248 4.568 4.320 0.001 0.000 0.243 1044 A C 0.877 178.241 177.584 -0.367 0.000 1.254 1044 A CA -0.355 51.253 52.037 -0.714 0.000 0.914 1044 A CB 0.007 18.146 19.000 -1.435 0.000 0.998 1044 A HN 0.466 nan 8.150 nan 0.000 0.515 1045 S N 2.146 117.802 115.700 -0.074 0.000 2.542 1045 S HA 0.106 4.576 4.470 0.001 0.000 0.287 1045 S C -1.449 173.243 174.600 0.154 0.000 1.315 1045 S CA -0.365 57.863 58.200 0.046 0.000 1.037 1045 S CB 0.287 63.572 63.200 0.141 0.000 0.822 1045 S HN 0.338 nan 8.310 nan 0.000 0.513 1046 P HA -0.158 nan 4.420 nan 0.000 0.223 1046 P C -0.191 177.103 177.300 -0.010 0.000 1.212 1046 P CA 0.872 63.883 63.100 -0.148 0.000 0.901 1046 P CB -0.037 31.475 31.700 -0.313 0.000 0.588 1047 F N -0.962 119.109 119.950 0.201 0.000 2.502 1047 F HA 0.384 4.911 4.527 0.001 0.000 0.371 1047 F C 1.219 177.134 175.800 0.192 0.000 1.083 1047 F CA -0.213 57.876 58.000 0.148 0.000 1.174 1047 F CB -1.423 37.612 39.000 0.058 0.000 1.096 1047 F HN 0.126 nan 8.300 nan 0.000 0.545 1048 T N -1.829 112.946 114.554 0.368 0.000 2.572 1048 T HA 0.355 4.706 4.350 0.001 0.000 0.274 1048 T C -0.169 174.672 174.700 0.234 0.000 0.949 1048 T CA -0.805 61.487 62.100 0.321 0.000 1.126 1048 T CB 1.501 70.575 68.868 0.345 0.000 1.478 1048 T HN 0.388 nan 8.240 nan 0.000 0.492 1049 D N 0.274 120.798 120.400 0.206 0.000 2.525 1049 D HA 0.380 5.021 4.640 0.001 0.000 0.229 1049 D C 0.064 176.448 176.300 0.140 0.000 1.202 1049 D CA -0.029 54.063 54.000 0.153 0.000 0.828 1049 D CB 0.258 41.136 40.800 0.130 0.000 1.008 1049 D HN 0.432 nan 8.370 nan 0.000 0.493 1050 I N 0.557 121.224 120.570 0.162 0.000 2.677 1050 I HA 0.219 4.389 4.170 0.001 0.000 0.305 1050 I C 0.629 176.792 176.117 0.076 0.000 0.988 1050 I CA -0.109 61.270 61.300 0.131 0.000 1.260 1050 I CB 1.677 39.785 38.000 0.179 0.000 1.410 1050 I HN -0.186 nan 8.210 nan 0.000 0.523 1051 T N 1.380 115.958 114.554 0.040 0.000 2.865 1051 T HA 0.316 4.667 4.350 0.001 0.000 0.294 1051 T C 0.617 175.297 174.700 -0.033 0.000 1.119 1051 T CA -0.681 61.420 62.100 0.002 0.000 1.007 1051 T CB 1.942 70.826 68.868 0.026 0.000 1.225 1051 T HN 0.209 nan 8.240 nan 0.000 0.515 1052 V N 0.654 120.537 119.914 -0.051 0.000 2.446 1052 V HA -0.060 4.060 4.120 0.001 0.000 0.244 1052 V C 2.602 178.700 176.094 0.007 0.000 1.039 1052 V CA 1.335 63.607 62.300 -0.047 0.000 1.045 1052 V CB -0.597 31.191 31.823 -0.058 0.000 0.681 1052 V HN 0.814 nan 8.190 nan 0.000 0.459 1053 E N 1.047 121.254 120.200 0.013 0.000 2.058 1053 E HA -0.190 4.160 4.350 0.001 0.000 0.194 1053 E C 2.353 178.974 176.600 0.035 0.000 0.997 1053 E CA 1.607 58.023 56.400 0.026 0.000 0.801 1053 E CB -0.669 29.045 29.700 0.024 0.000 0.746 1053 E HN 0.605 nan 8.360 nan 0.000 0.450 1054 G N 0.891 109.712 108.800 0.036 0.000 2.479 1054 G HA2 -0.212 3.748 3.960 0.001 0.000 0.220 1054 G HA3 -0.212 3.748 3.960 0.001 0.000 0.220 1054 G C 1.621 176.556 174.900 0.058 0.000 1.115 1054 G CA 0.463 45.592 45.100 0.047 0.000 0.757 1054 G HN 0.184 nan 8.290 nan 0.000 0.560 1055 I N -0.066 120.539 120.570 0.058 0.000 2.810 1055 I HA -0.027 4.144 4.170 0.001 0.000 0.262 1055 I C 2.665 178.833 176.117 0.085 0.000 1.131 1055 I CA 0.324 61.671 61.300 0.077 0.000 1.453 1055 I CB 0.041 38.089 38.000 0.080 0.000 1.161 1055 I HN 0.050 nan 8.210 nan 0.000 0.444 1056 S N 1.074 116.819 115.700 0.076 0.000 2.420 1056 S HA -0.201 4.269 4.470 0.001 0.000 0.237 1056 S C 1.871 176.517 174.600 0.077 0.000 1.023 1056 S CA 1.376 59.627 58.200 0.084 0.000 0.991 1056 S CB -0.185 63.057 63.200 0.070 0.000 0.792 1056 S HN 0.364 nan 8.310 nan 0.000 0.488 1057 K N 0.816 121.255 120.400 0.064 0.000 2.025 1057 K HA 0.056 4.376 4.320 0.001 0.000 0.207 1057 K C 2.007 178.645 176.600 0.063 0.000 1.049 1057 K CA 0.957 57.276 56.287 0.053 0.000 0.933 1057 K CB -0.307 32.218 32.500 0.042 0.000 0.714 1057 K HN 0.297 nan 8.250 nan 0.000 0.438 1058 L N 0.640 121.913 121.223 0.082 0.000 2.046 1058 L HA -0.185 4.155 4.340 0.001 0.000 0.208 1058 L C 2.433 179.412 176.870 0.181 0.000 1.077 1058 L CA 0.653 55.560 54.840 0.111 0.000 0.747 1058 L CB -0.407 41.727 42.059 0.126 0.000 0.896 1058 L HN 0.155 nan 8.230 nan 0.000 0.432 1059 L N -0.015 121.313 121.223 0.174 0.000 2.141 1059 L HA -0.167 4.174 4.340 0.001 0.000 0.209 1059 L C 2.677 179.668 176.870 0.201 0.000 1.094 1059 L CA 1.419 56.388 54.840 0.215 0.000 0.763 1059 L CB -0.450 41.710 42.059 0.167 0.000 0.908 1059 L HN 0.087 nan 8.230 nan 0.000 0.437 1060 R N 0.353 120.929 120.500 0.126 0.000 2.092 1060 R HA -0.116 4.224 4.340 0.001 0.000 0.231 1060 R C 2.020 178.345 176.300 0.041 0.000 1.119 1060 R CA 1.462 57.610 56.100 0.080 0.000 0.970 1060 R CB -0.519 29.811 30.300 0.050 0.000 0.864 1060 R HN 0.473 nan 8.270 nan 0.000 0.440 1061 E N -0.885 119.323 120.200 0.013 0.000 2.455 1061 E HA -0.176 4.175 4.350 0.001 0.000 0.202 1061 E C 0.783 177.257 176.600 -0.211 0.000 1.045 1061 E CA 0.672 57.012 56.400 -0.099 0.000 0.872 1061 E CB -0.018 29.598 29.700 -0.140 0.000 0.792 1061 E HN 0.510 nan 8.360 nan 0.000 0.542 1062 H N -2.082 116.997 119.070 0.014 0.000 2.705 1062 H HA 0.160 4.716 4.556 0.001 0.000 0.269 1062 H C 1.439 176.690 175.328 -0.130 0.000 0.998 1062 H CA 0.878 56.921 56.048 -0.008 0.000 1.193 1062 H CB 1.658 31.468 29.762 0.081 0.000 1.485 1062 H HN 0.332 nan 8.280 nan 0.000 0.521 1063 G N 0.451 109.233 108.800 -0.030 0.000 2.284 1063 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 1063 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 1063 G C -0.236 174.551 174.900 -0.189 0.000 1.009 1063 G CA -0.286 44.711 45.100 -0.173 0.000 0.625 1063 G HN 0.311 nan 8.290 nan 0.000 0.501 1064 Y N 1.548 121.879 120.300 0.052 0.000 2.301 1064 Y HA 0.561 5.112 4.550 0.001 0.000 0.325 1064 Y C 0.934 176.863 175.900 0.050 0.000 1.203 1064 Y CA -0.318 57.803 58.100 0.035 0.000 1.255 1064 Y CB 0.827 39.292 38.460 0.008 0.000 1.232 1064 Y HN 0.356 nan 8.280 nan 0.000 0.501 1065 Q N 1.447 121.373 119.800 0.211 0.000 2.492 1065 Q HA -0.149 4.191 4.340 0.001 0.000 0.366 1065 Q C 1.017 177.112 176.000 0.157 0.000 1.172 1065 Q CA 0.838 56.728 55.803 0.146 0.000 1.089 1065 Q CB 0.678 29.507 28.738 0.152 0.000 1.174 1065 Q HN 0.799 nan 8.270 nan 0.000 0.421 1066 S N 3.201 118.967 115.700 0.110 0.000 2.507 1066 S HA -0.052 4.419 4.470 0.001 0.000 0.235 1066 S C 1.007 175.693 174.600 0.145 0.000 0.988 1066 S CA 0.669 58.936 58.200 0.112 0.000 0.944 1066 S CB 0.067 63.309 63.200 0.069 0.000 0.762 1066 S HN 0.667 nan 8.310 nan 0.000 0.526 1067 R N 0.425 121.036 120.500 0.184 0.000 2.265 1067 R HA 0.388 4.729 4.340 0.001 0.000 0.194 1067 R C 1.916 178.530 176.300 0.523 0.000 0.931 1067 R CA 0.698 56.983 56.100 0.308 0.000 1.032 1067 R CB -0.687 29.746 30.300 0.223 0.000 0.980 1067 R HN 0.591 nan 8.270 nan 0.000 0.497 1068 G N 0.156 109.206 108.800 0.416 0.000 2.436 1068 G HA2 -0.249 3.711 3.960 0.001 0.000 0.204 1068 G HA3 -0.249 3.711 3.960 0.001 0.000 0.204 1068 G C 0.164 175.227 174.900 0.272 0.000 1.026 1068 G CA -0.325 44.935 45.100 0.267 0.000 0.658 1068 G HN 0.104 nan 8.290 nan 0.000 0.499 1069 F N 2.199 122.246 119.950 0.161 0.000 2.684 1069 F HA 0.438 4.966 4.527 0.001 0.000 0.334 1069 F C 1.183 177.030 175.800 0.078 0.000 1.170 1069 F CA 0.773 58.852 58.000 0.131 0.000 1.376 1069 F CB 0.185 39.261 39.000 0.126 0.000 1.056 1069 F HN 0.331 nan 8.300 nan 0.000 0.632 1070 E N -0.777 119.587 120.200 0.273 0.000 2.375 1070 E HA 0.395 4.745 4.350 0.001 0.000 0.280 1070 E C -1.565 175.122 176.600 0.146 0.000 0.972 1070 E CA -0.921 55.584 56.400 0.175 0.000 0.782 1070 E CB 2.230 31.980 29.700 0.083 0.000 1.229 1070 E HN 0.207 nan 8.360 nan 0.000 0.439 1071 V N 1.734 121.711 119.914 0.104 0.000 2.963 1071 V HA 0.307 4.427 4.120 0.001 0.000 0.306 1071 V C 0.314 176.415 176.094 0.011 0.000 1.077 1071 V CA 0.253 62.561 62.300 0.014 0.000 1.124 1071 V CB 0.188 31.996 31.823 -0.026 0.000 0.987 1071 V HN 0.653 nan 8.190 nan 0.000 0.487 1072 M N 2.378 121.895 119.600 -0.138 0.000 2.520 1072 M HA 0.502 4.982 4.480 0.001 0.000 0.283 1072 M C -1.997 174.094 176.300 -0.347 0.000 1.237 1072 M CA -0.464 54.782 55.300 -0.089 0.000 0.885 1072 M CB 2.925 35.505 32.600 -0.032 0.000 1.727 1072 M HN 0.585 nan 8.290 nan 0.000 0.468 1073 Y N 0.707 120.775 120.300 -0.387 0.000 2.352 1073 Y HA 0.318 4.868 4.550 0.001 0.000 0.339 1073 Y C 0.404 175.868 175.900 -0.726 0.000 0.992 1073 Y CA -1.181 56.605 58.100 -0.523 0.000 1.100 1073 Y CB 0.813 38.997 38.460 -0.460 0.000 1.192 1073 Y HN 0.543 nan 8.280 nan 0.000 0.458 1074 N N 2.063 120.629 118.700 -0.223 0.000 2.394 1074 N HA -0.081 4.660 4.740 0.001 0.000 0.277 1074 N C 1.241 176.653 175.510 -0.163 0.000 1.346 1074 N CA 0.896 53.861 53.050 -0.142 0.000 0.910 1074 N CB 1.053 39.510 38.487 -0.050 0.000 1.201 1074 N HN 1.070 nan 8.380 nan 0.000 0.488 1075 G N 3.592 112.295 108.800 -0.163 0.000 2.550 1075 G HA2 -0.291 3.670 3.960 0.001 0.000 0.222 1075 G HA3 -0.291 3.670 3.960 0.001 0.000 0.222 1075 G C 1.092 176.076 174.900 0.141 0.000 1.113 1075 G CA 0.935 46.031 45.100 -0.006 0.000 0.748 1075 G HN 0.724 nan 8.290 nan 0.000 0.585 1076 H N 0.487 119.579 119.070 0.036 0.000 2.317 1076 H HA -0.009 4.547 4.556 0.001 0.000 0.304 1076 H C 2.962 178.317 175.328 0.044 0.000 1.067 1076 H CA 1.893 57.954 56.048 0.021 0.000 1.352 1076 H CB -0.932 28.809 29.762 -0.034 0.000 1.398 1076 H HN 0.474 nan 8.280 nan 0.000 0.510 1077 T N -2.973 111.680 114.554 0.165 0.000 2.866 1077 T HA 0.273 4.624 4.350 0.001 0.000 0.250 1077 T C 1.851 176.632 174.700 0.135 0.000 1.033 1077 T CA 1.111 63.284 62.100 0.122 0.000 1.145 1077 T CB -0.266 68.657 68.868 0.090 0.000 0.866 1077 T HN 0.525 nan 8.240 nan 0.000 0.434 1078 G N 1.267 110.148 108.800 0.136 0.000 2.205 1078 G HA2 -0.158 3.803 3.960 0.001 0.000 0.180 1078 G HA3 -0.158 3.803 3.960 0.001 0.000 0.180 1078 G C 0.018 175.065 174.900 0.245 0.000 1.004 1078 G CA 0.040 45.264 45.100 0.208 0.000 0.670 1078 G HN 0.792 nan 8.290 nan 0.000 0.496 1079 K N 1.318 121.819 120.400 0.169 0.000 2.219 1079 K HA 0.450 4.770 4.320 0.001 0.000 0.258 1079 K C 0.703 177.389 176.600 0.144 0.000 1.008 1079 K CA -0.322 56.068 56.287 0.171 0.000 0.928 1079 K CB 0.365 32.915 32.500 0.084 0.000 0.983 1079 K HN 0.183 nan 8.250 nan 0.000 0.484 1080 K N 1.861 122.287 120.400 0.042 0.000 2.180 1080 K HA 0.141 4.461 4.320 0.001 0.000 0.251 1080 K C -0.295 176.186 176.600 -0.199 0.000 1.014 1080 K CA -0.235 55.861 56.287 -0.318 0.000 0.913 1080 K CB 0.411 32.697 32.500 -0.356 0.000 1.008 1080 K HN 0.443 nan 8.250 nan 0.000 0.490 1081 L N 3.496 124.567 121.223 -0.253 0.000 2.264 1081 L HA 0.106 4.447 4.340 0.001 0.000 0.287 1081 L C 1.322 178.133 176.870 -0.099 0.000 1.039 1081 L CA -0.522 54.237 54.840 -0.134 0.000 0.829 1081 L CB 1.085 43.068 42.059 -0.127 0.000 1.211 1081 L HN 0.767 nan 8.230 nan 0.000 0.427 1082 M N 3.461 123.026 119.600 -0.058 0.000 2.186 1082 M HA -0.254 4.226 4.480 0.001 0.000 0.249 1082 M C 0.902 177.190 176.300 -0.021 0.000 1.081 1082 M CA 2.160 57.440 55.300 -0.034 0.000 1.072 1082 M CB -0.142 32.450 32.600 -0.014 0.000 1.318 1082 M HN 0.657 nan 8.290 nan 0.000 0.405 1083 A N -1.196 121.620 122.820 -0.007 0.000 2.263 1083 A HA 0.655 4.975 4.320 0.001 0.000 0.318 1083 A C -0.501 177.106 177.584 0.039 0.000 1.111 1083 A CA -0.712 51.342 52.037 0.029 0.000 0.901 1083 A CB 0.558 19.585 19.000 0.046 0.000 1.280 1083 A HN 0.460 nan 8.150 nan 0.000 0.503 1084 Q N -0.901 118.974 119.800 0.125 0.000 2.351 1084 Q HA 0.693 5.034 4.340 0.001 0.000 0.273 1084 Q C -1.425 174.666 176.000 0.150 0.000 1.077 1084 Q CA -0.240 55.663 55.803 0.167 0.000 0.843 1084 Q CB 1.727 30.637 28.738 0.287 0.000 1.367 1084 Q HN 0.529 nan 8.270 nan 0.000 0.449 1085 I N 0.884 121.497 120.570 0.072 0.000 2.493 1085 I HA 0.286 4.457 4.170 0.001 0.000 0.298 1085 I C -0.731 175.326 176.117 -0.100 0.000 0.998 1085 I CA -0.675 60.596 61.300 -0.049 0.000 1.137 1085 I CB 0.921 38.877 38.000 -0.073 0.000 1.310 1085 I HN 0.527 nan 8.210 nan 0.000 0.445 1086 F N 6.739 126.443 119.950 -0.410 0.000 2.541 1086 F HA 0.298 4.825 4.527 0.001 0.000 0.347 1086 F C -0.669 175.076 175.800 -0.092 0.000 1.242 1086 F CA -0.202 57.565 58.000 -0.388 0.000 1.123 1086 F CB -0.337 38.380 39.000 -0.472 0.000 1.354 1086 F HN 0.248 nan 8.300 nan 0.000 0.621 1087 F N 4.585 124.208 119.950 -0.545 0.000 2.421 1087 F HA 0.708 5.236 4.527 0.001 0.000 0.337 1087 F C 0.283 175.765 175.800 -0.530 0.000 1.105 1087 F CA -0.229 57.512 58.000 -0.432 0.000 1.049 1087 F CB 1.236 40.088 39.000 -0.246 0.000 1.139 1087 F HN 0.596 nan 8.300 nan 0.000 0.479 1088 G N 5.401 114.330 108.800 0.214 0.000 2.368 1088 G HA2 0.168 4.129 3.960 0.001 0.000 0.303 1088 G HA3 0.168 4.129 3.960 0.001 0.000 0.303 1088 G C -3.372 171.528 174.900 0.000 0.000 1.590 1088 G CA -1.134 43.948 45.100 -0.030 0.000 0.938 1088 G HN 0.381 nan 8.290 nan 0.000 0.675 1089 P HA 0.379 nan 4.420 nan 0.000 0.271 1089 P C -0.246 177.072 177.300 0.029 0.000 1.233 1089 P CA 0.519 63.637 63.100 0.029 0.000 0.795 1089 P CB 0.733 32.435 31.700 0.002 0.000 0.936 1090 T N -0.482 114.114 114.554 0.069 0.000 3.128 1090 T HA 0.126 4.477 4.350 0.001 0.000 0.363 1090 T C -1.482 173.296 174.700 0.131 0.000 1.610 1090 T CA -0.366 61.751 62.100 0.029 0.000 1.126 1090 T CB 0.243 69.079 68.868 -0.054 0.000 1.416 1090 T HN 0.243 nan 8.240 nan 0.000 0.480 1091 Y N 2.507 122.757 120.300 -0.083 0.000 2.335 1091 Y HA 0.588 5.138 4.550 0.001 0.000 0.331 1091 Y C -1.102 174.743 175.900 -0.092 0.000 1.094 1091 Y CA -0.797 57.288 58.100 -0.025 0.000 1.253 1091 Y CB 0.321 38.773 38.460 -0.013 0.000 1.203 1091 Y HN 0.645 nan 8.280 nan 0.000 0.508 1092 Y N 3.871 124.079 120.300 -0.153 0.000 2.425 1092 Y HA 0.374 4.924 4.550 0.001 0.000 0.344 1092 Y C -0.494 175.293 175.900 -0.189 0.000 0.969 1092 Y CA -0.906 57.135 58.100 -0.100 0.000 1.052 1092 Y CB 1.779 40.265 38.460 0.043 0.000 1.215 1092 Y HN 0.483 nan 8.280 nan 0.000 0.451 1093 Q N 3.177 122.986 119.800 0.014 0.000 2.256 1093 Q HA 0.399 4.739 4.340 0.001 0.000 0.257 1093 Q C -0.657 175.384 176.000 0.069 0.000 0.936 1093 Q CA -0.975 54.829 55.803 0.001 0.000 0.903 1093 Q CB 1.965 30.692 28.738 -0.018 0.000 1.263 1093 Q HN 0.467 nan 8.270 nan 0.000 0.440 1094 R N 3.355 123.898 120.500 0.072 0.000 2.230 1094 R HA 0.228 4.568 4.340 0.001 0.000 0.337 1094 R C -1.194 175.151 176.300 0.076 0.000 1.063 1094 R CA -0.541 55.656 56.100 0.162 0.000 0.935 1094 R CB -0.031 30.364 30.300 0.158 0.000 1.121 1094 R HN 0.395 nan 8.270 nan 0.000 0.486 1095 L N 3.205 124.447 121.223 0.031 0.000 2.375 1095 L HA 0.490 4.830 4.340 0.001 0.000 0.271 1095 L C 0.757 177.543 176.870 -0.140 0.000 1.107 1095 L CA -0.745 54.063 54.840 -0.054 0.000 0.806 1095 L CB 0.356 42.394 42.059 -0.035 0.000 1.146 1095 L HN 0.572 nan 8.230 nan 0.000 0.447 1096 R N 0.216 120.587 120.500 -0.215 0.000 2.919 1096 R HA 0.191 4.532 4.340 0.001 0.000 0.284 1096 R C -0.709 175.442 176.300 -0.249 0.000 1.104 1096 R CA -0.282 55.634 56.100 -0.308 0.000 1.207 1096 R CB -0.041 29.986 30.300 -0.455 0.000 1.162 1096 R HN 0.733 nan 8.270 nan 0.000 0.561 1097 H N -0.964 117.950 119.070 -0.261 0.000 3.631 1097 H HA -0.074 4.482 4.556 0.001 0.000 0.385 1097 H C -1.169 174.014 175.328 -0.242 0.000 1.180 1097 H CA 0.516 56.426 56.048 -0.230 0.000 1.265 1097 H CB -1.220 28.419 29.762 -0.204 0.000 1.465 1097 H HN 0.589 nan 8.280 nan 0.000 0.415 1098 M N 0.960 120.486 119.600 -0.124 0.000 2.705 1098 M HA 0.367 4.847 4.480 0.001 0.000 0.311 1098 M C 1.716 177.937 176.300 -0.131 0.000 1.214 1098 M CA -0.719 54.477 55.300 -0.174 0.000 0.920 1098 M CB 1.750 34.232 32.600 -0.197 0.000 1.687 1098 M HN 0.138 nan 8.290 nan 0.000 0.481 1099 V N 0.938 120.770 119.914 -0.137 0.000 2.214 1099 V HA -0.276 3.844 4.120 0.001 0.000 0.244 1099 V C 1.077 177.127 176.094 -0.074 0.000 1.045 1099 V CA 2.288 64.526 62.300 -0.102 0.000 0.993 1099 V CB -0.274 31.490 31.823 -0.099 0.000 0.633 1099 V HN 0.907 nan 8.190 nan 0.000 0.449 1100 D N 0.273 120.632 120.400 -0.067 0.000 2.435 1100 D HA -0.136 4.504 4.640 0.001 0.000 0.224 1100 D C 1.048 177.327 176.300 -0.034 0.000 0.987 1100 D CA 0.941 54.916 54.000 -0.043 0.000 0.989 1100 D CB -0.305 40.473 40.800 -0.037 0.000 0.861 1100 D HN 0.553 nan 8.370 nan 0.000 0.512 1101 D N -1.158 119.213 120.400 -0.048 0.000 2.433 1101 D HA 0.103 4.743 4.640 0.001 0.000 0.211 1101 D C 1.410 177.690 176.300 -0.033 0.000 1.114 1101 D CA 0.097 54.073 54.000 -0.040 0.000 0.837 1101 D CB 0.660 41.419 40.800 -0.068 0.000 0.984 1101 D HN 0.213 nan 8.370 nan 0.000 0.505 1102 K N -0.335 120.046 120.400 -0.032 0.000 2.485 1102 K HA 0.154 4.475 4.320 0.001 0.000 0.200 1102 K C 0.306 176.918 176.600 0.020 0.000 1.352 1102 K CA -0.517 55.758 56.287 -0.021 0.000 0.953 1102 K CB 1.109 33.582 32.500 -0.045 0.000 1.387 1102 K HN -0.154 nan 8.250 nan 0.000 0.512 1103 I N 3.320 123.895 120.570 0.009 0.000 3.275 1103 I HA -0.227 3.943 4.170 0.001 0.000 0.345 1103 I C -0.275 175.906 176.117 0.108 0.000 1.202 1103 I CA 1.392 62.710 61.300 0.029 0.000 1.483 1103 I CB -0.512 37.491 38.000 0.006 0.000 1.293 1103 I HN 0.246 nan 8.210 nan 0.000 0.508 1104 H N 5.720 124.771 119.070 -0.030 0.000 3.099 1104 H HA 0.779 5.335 4.556 0.001 0.000 0.342 1104 H C -1.395 173.921 175.328 -0.020 0.000 1.054 1104 H CA -0.399 55.635 56.048 -0.024 0.000 1.328 1104 H CB 1.043 30.791 29.762 -0.024 0.000 1.876 1104 H HN 0.655 nan 8.280 nan 0.000 0.495 1105 A N 4.549 127.283 122.820 -0.143 0.000 2.479 1105 A HA 0.920 5.240 4.320 0.001 0.000 0.296 1105 A C -1.043 176.427 177.584 -0.189 0.000 1.121 1105 A CA -0.727 51.147 52.037 -0.272 0.000 0.743 1105 A CB 1.760 20.700 19.000 -0.100 0.000 1.323 1105 A HN 0.876 nan 8.150 nan 0.000 0.415 1106 R N -0.156 120.245 120.500 -0.165 0.000 2.633 1106 R HA 0.607 4.947 4.340 0.001 0.000 0.255 1106 R C -1.936 174.333 176.300 -0.051 0.000 1.106 1106 R CA 0.104 56.169 56.100 -0.059 0.000 0.959 1106 R CB 1.446 31.738 30.300 -0.013 0.000 1.259 1106 R HN 1.650 nan 8.270 nan 0.000 0.453 1107 A N 5.241 128.044 122.820 -0.027 0.000 2.651 1107 A HA 0.549 4.869 4.320 0.001 0.000 0.290 1107 A C -0.705 176.869 177.584 -0.017 0.000 1.185 1107 A CA -0.285 51.737 52.037 -0.025 0.000 0.746 1107 A CB 0.666 19.651 19.000 -0.024 0.000 1.213 1107 A HN 1.084 nan 8.150 nan 0.000 0.429 1108 R N 0.646 121.135 120.500 -0.017 0.000 1.138 1108 R HA 0.033 4.373 4.340 0.001 0.000 0.413 1108 R C 0.018 176.312 176.300 -0.009 0.000 1.362 1108 R CA 1.203 57.294 56.100 -0.015 0.000 1.394 1108 R CB -1.212 29.078 30.300 -0.017 0.000 3.813 1108 R HN 2.340 nan 8.270 nan 0.000 0.482 1109 G N 1.880 110.674 108.800 -0.009 0.000 2.539 1109 G HA2 0.426 4.387 3.960 0.001 0.000 0.138 1109 G HA3 0.426 4.387 3.960 0.001 0.000 0.138 1109 G C -2.865 172.029 174.900 -0.010 0.000 1.148 1109 G CA -0.367 44.729 45.100 -0.006 0.000 1.057 1109 G HN 0.729 nan 8.290 nan 0.000 0.511 1110 P HA 0.320 nan 4.420 nan 0.000 0.265 1110 P C -0.901 176.385 177.300 -0.022 0.000 1.187 1110 P CA 0.463 63.556 63.100 -0.012 0.000 0.766 1110 P CB 0.728 32.425 31.700 -0.006 0.000 0.820 1111 M N 1.520 121.097 119.600 -0.037 0.000 2.395 1111 M HA 0.283 4.763 4.480 0.001 0.000 0.307 1111 M C 0.428 176.685 176.300 -0.072 0.000 1.091 1111 M CA -0.983 54.281 55.300 -0.060 0.000 0.919 1111 M CB 1.854 34.406 32.600 -0.080 0.000 1.662 1111 M HN 0.464 nan 8.290 nan 0.000 0.440 1112 Q N 0.703 120.456 119.800 -0.077 0.000 2.730 1112 Q HA 0.065 4.406 4.340 0.001 0.000 0.255 1112 Q C 0.411 176.345 176.000 -0.110 0.000 1.155 1112 Q CA 0.514 56.270 55.803 -0.079 0.000 1.035 1112 Q CB 0.814 29.506 28.738 -0.078 0.000 1.335 1112 Q HN 0.595 nan 8.270 nan 0.000 0.556 1113 V N 1.200 121.057 119.914 -0.095 0.000 3.048 1113 V HA -0.058 4.063 4.120 0.001 0.000 0.241 1113 V C 1.378 177.394 176.094 -0.129 0.000 1.129 1113 V CA 0.598 62.833 62.300 -0.108 0.000 1.128 1113 V CB -0.161 31.624 31.823 -0.062 0.000 0.849 1113 V HN 0.740 nan 8.190 nan 0.000 0.475 1114 L N 0.489 121.656 121.223 -0.092 0.000 2.023 1114 L HA -0.035 4.305 4.340 0.001 0.000 0.205 1114 L C 2.273 179.080 176.870 -0.105 0.000 1.073 1114 L CA 2.569 57.371 54.840 -0.064 0.000 0.745 1114 L CB -1.013 41.031 42.059 -0.025 0.000 0.900 1114 L HN 0.305 nan 8.230 nan 0.000 0.435 1115 T N -0.539 113.939 114.554 -0.128 0.000 2.852 1115 T HA 0.036 4.386 4.350 0.001 0.000 0.256 1115 T C 0.571 175.045 174.700 -0.376 0.000 1.038 1115 T CA 0.661 62.674 62.100 -0.145 0.000 1.141 1115 T CB -0.033 68.787 68.868 -0.080 0.000 0.869 1115 T HN 0.349 nan 8.240 nan 0.000 0.439 1116 R N 0.790 121.076 120.500 -0.357 0.000 3.493 1116 R HA -0.092 4.249 4.340 0.001 0.000 0.297 1116 R C -0.474 175.684 176.300 -0.236 0.000 1.145 1116 R CA 0.190 56.044 56.100 -0.410 0.000 0.792 1116 R CB -1.975 27.829 30.300 -0.827 0.000 1.368 1116 R HN 0.495 nan 8.270 nan 0.000 0.454 1117 Q N -0.150 119.561 119.800 -0.147 0.000 2.306 1117 Q HA 0.492 4.832 4.340 0.001 0.000 0.269 1117 Q C -2.439 173.522 176.000 -0.065 0.000 1.053 1117 Q CA -2.206 53.547 55.803 -0.083 0.000 0.879 1117 Q CB 1.771 30.477 28.738 -0.054 0.000 1.344 1117 Q HN -0.137 nan 8.270 nan 0.000 0.464 1118 P HA -0.071 nan 4.420 nan 0.000 0.268 1118 P C -0.727 176.562 177.300 -0.018 0.000 1.208 1118 P CA -0.052 63.033 63.100 -0.024 0.000 0.777 1118 P CB 0.439 32.134 31.700 -0.009 0.000 0.875 1119 V N -0.045 119.862 119.914 -0.012 0.000 3.441 1119 V HA 0.370 4.491 4.120 0.001 0.000 0.300 1119 V C 0.070 176.167 176.094 0.005 0.000 1.062 1119 V CA -0.352 61.942 62.300 -0.009 0.000 1.064 1119 V CB 0.790 32.606 31.823 -0.012 0.000 1.197 1119 V HN 0.594 nan 8.190 nan 0.000 0.451 1120 E N 0.833 121.033 120.200 0.000 0.000 2.202 1120 E HA 0.609 4.959 4.350 0.001 0.000 0.272 1120 E C -0.147 176.448 176.600 -0.009 0.000 0.951 1120 E CA -0.131 56.272 56.400 0.005 0.000 0.813 1120 E CB 1.481 31.180 29.700 -0.001 0.000 1.151 1120 E HN 2.084 nan 8.360 nan 0.000 0.398 1121 G N 3.034 111.827 108.800 -0.011 0.000 3.055 1121 G HA2 -0.227 3.734 3.960 0.001 0.000 0.686 1121 G HA3 -0.227 3.734 3.960 0.001 0.000 0.686 1121 G C 0.267 175.073 174.900 -0.157 0.000 1.087 1121 G CA -0.010 45.054 45.100 -0.059 0.000 0.779 1121 G HN 0.821 nan 8.290 nan 0.000 0.599 1122 R N 0.987 121.307 120.500 -0.300 0.000 2.193 1122 R HA -0.083 4.257 4.340 0.001 0.000 0.229 1122 R C 2.665 178.745 176.300 -0.367 0.000 1.110 1122 R CA 2.635 58.305 56.100 -0.716 0.000 0.988 1122 R CB -0.315 29.572 30.300 -0.689 0.000 0.871 1122 R HN 1.194 nan 8.270 nan 0.000 0.458 1123 S N 0.582 116.168 115.700 -0.190 0.000 2.383 1123 S HA -0.140 4.330 4.470 0.001 0.000 0.229 1123 S C 1.779 176.334 174.600 -0.075 0.000 1.030 1123 S CA 1.034 59.173 58.200 -0.103 0.000 1.002 1123 S CB -0.178 62.987 63.200 -0.058 0.000 0.829 1123 S HN 0.498 nan 8.310 nan 0.000 0.467 1124 R N 0.653 121.110 120.500 -0.071 0.000 2.426 1124 R HA 0.205 4.545 4.340 0.001 0.000 0.263 1124 R C 0.040 176.324 176.300 -0.027 0.000 0.961 1124 R CA 0.483 56.561 56.100 -0.037 0.000 1.086 1124 R CB -0.023 30.264 30.300 -0.022 0.000 1.186 1124 R HN 0.386 nan 8.270 nan 0.000 0.537 1125 D N -1.019 119.355 120.400 -0.043 0.000 3.028 1125 D HA -0.123 4.517 4.640 0.001 0.000 0.207 1125 D C 0.469 176.816 176.300 0.080 0.000 1.100 1125 D CA 1.100 55.112 54.000 0.020 0.000 0.995 1125 D CB -0.896 39.913 40.800 0.015 0.000 1.108 1125 D HN 0.431 nan 8.370 nan 0.000 0.421 1126 G N -0.293 108.532 108.800 0.041 0.000 2.714 1126 G HA2 0.394 4.354 3.960 0.001 0.000 0.278 1126 G HA3 0.394 4.354 3.960 0.001 0.000 0.278 1126 G C 0.598 175.609 174.900 0.184 0.000 1.288 1126 G CA 0.437 45.586 45.100 0.081 0.000 1.027 1126 G HN 0.442 nan 8.290 nan 0.000 0.607 1127 G N -1.896 106.977 108.800 0.123 0.000 2.537 1127 G HA2 0.564 4.524 3.960 0.001 0.000 0.308 1127 G HA3 0.564 4.524 3.960 0.001 0.000 0.308 1127 G C -0.202 174.750 174.900 0.087 0.000 1.237 1127 G CA -0.963 44.190 45.100 0.088 0.000 0.968 1127 G HN 0.581 nan 8.290 nan 0.000 0.481 1128 L N -0.596 120.649 121.223 0.036 0.000 2.470 1128 L HA 0.536 4.876 4.340 0.001 0.000 0.243 1128 L C 0.775 177.676 176.870 0.052 0.000 1.227 1128 L CA -0.672 54.193 54.840 0.040 0.000 0.824 1128 L CB 0.539 42.602 42.059 0.007 0.000 1.175 1128 L HN 0.503 nan 8.230 nan 0.000 0.503 1129 R N -0.084 120.446 120.500 0.050 0.000 2.494 1129 R HA 0.308 4.648 4.340 0.001 0.000 0.305 1129 R C -1.323 175.024 176.300 0.077 0.000 0.959 1129 R CA -0.247 55.887 56.100 0.056 0.000 0.864 1129 R CB 0.872 31.183 30.300 0.017 0.000 1.159 1129 R HN 0.390 nan 8.270 nan 0.000 0.446 1130 F N 4.681 124.611 119.950 -0.032 0.000 2.389 1130 F HA 0.508 5.035 4.527 0.001 0.000 0.327 1130 F C 0.305 176.083 175.800 -0.037 0.000 1.204 1130 F CA -0.401 57.576 58.000 -0.037 0.000 1.209 1130 F CB 0.655 39.617 39.000 -0.063 0.000 1.460 1130 F HN 0.731 nan 8.300 nan 0.000 0.537 1131 G N 1.820 110.541 108.800 -0.132 0.000 2.588 1131 G HA2 0.078 4.038 3.960 0.001 0.000 0.278 1131 G HA3 0.078 4.038 3.960 0.001 0.000 0.278 1131 G C 0.744 175.571 174.900 -0.122 0.000 1.307 1131 G CA -0.281 44.770 45.100 -0.083 0.000 1.016 1131 G HN 0.556 nan 8.290 nan 0.000 0.503 1132 E N -0.703 119.460 120.200 -0.062 0.000 2.072 1132 E HA -0.309 4.042 4.350 0.001 0.000 0.218 1132 E C 2.663 179.209 176.600 -0.089 0.000 1.051 1132 E CA 2.139 58.508 56.400 -0.051 0.000 0.880 1132 E CB -0.255 29.423 29.700 -0.037 0.000 0.783 1132 E HN 0.508 nan 8.360 nan 0.000 0.473 1133 M N 0.306 119.843 119.600 -0.105 0.000 2.151 1133 M HA -0.261 4.219 4.480 0.001 0.000 0.256 1133 M C 2.196 178.399 176.300 -0.162 0.000 1.072 1133 M CA 1.831 57.063 55.300 -0.112 0.000 1.090 1133 M CB -0.804 31.734 32.600 -0.103 0.000 1.294 1133 M HN 0.013 nan 8.290 nan 0.000 0.415 1134 E N -0.201 119.816 120.200 -0.306 0.000 2.267 1134 E HA -0.148 4.203 4.350 0.001 0.000 0.197 1134 E C 1.935 178.287 176.600 -0.413 0.000 0.998 1134 E CA 0.927 57.026 56.400 -0.502 0.000 0.830 1134 E CB -0.385 28.695 29.700 -1.033 0.000 0.751 1134 E HN 0.394 nan 8.360 nan 0.000 0.491 1135 R N 0.839 121.203 120.500 -0.227 0.000 2.056 1135 R HA -0.136 4.204 4.340 0.001 0.000 0.227 1135 R C 1.128 177.473 176.300 0.074 0.000 1.149 1135 R CA 1.679 57.835 56.100 0.094 0.000 0.937 1135 R CB -0.196 30.171 30.300 0.111 0.000 0.835 1135 R HN 0.078 nan 8.270 nan 0.000 0.430 1136 D N 0.398 120.806 120.400 0.013 0.000 2.220 1136 D HA -0.216 4.424 4.640 0.001 0.000 0.198 1136 D C 1.896 178.209 176.300 0.021 0.000 1.001 1136 D CA 1.444 55.450 54.000 0.011 0.000 0.875 1136 D CB -0.527 40.262 40.800 -0.018 0.000 0.921 1136 D HN 0.358 nan 8.370 nan 0.000 0.454 1137 C N 0.009 119.327 119.300 0.031 0.000 2.467 1137 C HA 0.055 4.515 4.460 0.001 0.000 0.279 1137 C C 2.529 177.634 174.990 0.191 0.000 1.347 1137 C CA -0.031 59.021 59.018 0.057 0.000 1.748 1137 C CB -0.541 27.248 27.740 0.081 0.000 1.977 1137 C HN 0.289 nan 8.230 nan 0.000 0.501 1138 M N 1.060 120.813 119.600 0.256 0.000 2.229 1138 M HA 0.012 4.492 4.480 0.001 0.000 0.264 1138 M C 1.940 178.377 176.300 0.228 0.000 1.063 1138 M CA 1.313 56.816 55.300 0.339 0.000 1.114 1138 M CB -1.187 31.631 32.600 0.364 0.000 1.387 1138 M HN 0.373 nan 8.290 nan 0.000 0.420 1139 I N -0.242 120.413 120.570 0.141 0.000 2.252 1139 I HA -0.226 3.944 4.170 0.001 0.000 0.245 1139 I C 2.553 178.708 176.117 0.064 0.000 1.102 1139 I CA 0.989 62.342 61.300 0.089 0.000 1.385 1139 I CB -0.792 37.242 38.000 0.056 0.000 1.064 1139 I HN 0.194 nan 8.210 nan 0.000 0.414 1140 A N 0.795 123.630 122.820 0.026 0.000 1.859 1140 A HA -0.277 4.043 4.320 0.001 0.000 0.217 1140 A C 2.232 179.791 177.584 -0.042 0.000 1.198 1140 A CA 1.795 53.803 52.037 -0.049 0.000 0.629 1140 A CB -1.204 17.714 19.000 -0.137 0.000 0.830 1140 A HN 0.418 nan 8.150 nan 0.000 0.446 1141 H N -0.994 118.103 119.070 0.046 0.000 2.426 1141 H HA -0.076 4.481 4.556 0.001 0.000 0.298 1141 H C 1.786 177.140 175.328 0.043 0.000 1.107 1141 H CA 1.489 57.564 56.048 0.045 0.000 1.298 1141 H CB -0.433 29.368 29.762 0.065 0.000 1.377 1141 H HN 0.797 nan 8.280 nan 0.000 0.519 1142 G N -0.356 108.542 108.800 0.163 0.000 2.137 1142 G HA2 -0.237 3.723 3.960 0.001 0.000 0.237 1142 G HA3 -0.237 3.723 3.960 0.001 0.000 0.237 1142 G C 0.640 175.612 174.900 0.121 0.000 1.002 1142 G CA 0.405 45.571 45.100 0.109 0.000 0.702 1142 G HN 0.695 nan 8.290 nan 0.000 0.515 1143 A N 0.011 122.933 122.820 0.171 0.000 3.074 1143 A HA 0.786 5.107 4.320 0.001 0.000 0.251 1143 A C 2.009 179.683 177.584 0.150 0.000 1.695 1143 A CA 1.096 53.233 52.037 0.167 0.000 1.343 1143 A CB -0.711 18.429 19.000 0.233 0.000 1.078 1143 A HN 1.988 nan 8.150 nan 0.000 0.644 1144 A N 1.028 123.907 122.820 0.098 0.000 1.891 1144 A HA -0.265 4.056 4.320 0.001 0.000 0.221 1144 A C 2.541 180.160 177.584 0.058 0.000 1.394 1144 A CA 2.685 54.763 52.037 0.067 0.000 0.730 1144 A CB -1.338 17.691 19.000 0.049 0.000 0.845 1144 A HN 0.686 nan 8.150 nan 0.000 0.471 1145 S N -1.125 114.613 115.700 0.064 0.000 2.365 1145 S HA -0.206 4.264 4.470 0.001 0.000 0.225 1145 S C 1.677 176.317 174.600 0.067 0.000 1.039 1145 S CA 1.735 59.967 58.200 0.052 0.000 1.033 1145 S CB -0.641 62.592 63.200 0.055 0.000 0.887 1145 S HN 0.632 nan 8.310 nan 0.000 0.447 1146 F N 2.120 122.045 119.950 -0.042 0.000 2.161 1146 F HA -0.080 4.447 4.527 0.001 0.000 0.300 1146 F C 1.840 177.575 175.800 -0.109 0.000 1.089 1146 F CA 0.799 58.757 58.000 -0.071 0.000 1.282 1146 F CB -0.567 38.398 39.000 -0.057 0.000 1.010 1146 F HN 0.139 nan 8.300 nan 0.000 0.485 1147 L N 0.641 121.734 121.223 -0.216 0.000 1.943 1147 L HA -0.286 4.054 4.340 0.001 0.000 0.215 1147 L C 2.763 179.443 176.870 -0.317 0.000 1.074 1147 L CA 2.287 56.938 54.840 -0.315 0.000 0.759 1147 L CB -0.782 41.233 42.059 -0.073 0.000 0.888 1147 L HN 0.183 nan 8.230 nan 0.000 0.433 1148 K N -0.196 120.109 120.400 -0.158 0.000 2.077 1148 K HA -0.336 3.984 4.320 0.001 0.000 0.213 1148 K C 1.962 178.456 176.600 -0.176 0.000 1.051 1148 K CA 2.399 58.609 56.287 -0.127 0.000 0.929 1148 K CB -0.309 32.154 32.500 -0.062 0.000 0.715 1148 K HN 0.453 nan 8.250 nan 0.000 0.451 1149 E N -0.044 120.039 120.200 -0.196 0.000 2.038 1149 E HA -0.212 4.139 4.350 0.001 0.000 0.195 1149 E C 2.207 178.631 176.600 -0.293 0.000 1.000 1149 E CA 1.045 57.331 56.400 -0.190 0.000 0.803 1149 E CB 0.091 29.723 29.700 -0.113 0.000 0.750 1149 E HN 0.271 nan 8.360 nan 0.000 0.448 1150 R N 0.088 120.265 120.500 -0.538 0.000 2.091 1150 R HA -0.163 4.177 4.340 0.001 0.000 0.238 1150 R C 2.384 178.427 176.300 -0.429 0.000 1.136 1150 R CA 0.853 56.564 56.100 -0.649 0.000 0.959 1150 R CB -0.722 28.810 30.300 -1.281 0.000 0.856 1150 R HN 0.225 nan 8.270 nan 0.000 0.437 1151 L N -0.371 120.636 121.223 -0.359 0.000 2.217 1151 L HA -0.049 4.291 4.340 0.001 0.000 0.211 1151 L C 2.061 178.860 176.870 -0.119 0.000 1.107 1151 L CA 1.423 56.145 54.840 -0.196 0.000 0.783 1151 L CB -0.184 41.789 42.059 -0.143 0.000 0.919 1151 L HN 0.120 nan 8.230 nan 0.000 0.442 1152 M N -1.856 117.672 119.600 -0.120 0.000 3.178 1152 M HA 0.103 4.583 4.480 0.001 0.000 0.175 1152 M C 1.906 178.160 176.300 -0.076 0.000 1.704 1152 M CA 0.380 55.637 55.300 -0.071 0.000 1.550 1152 M CB -0.848 31.715 32.600 -0.061 0.000 0.891 1152 M HN -0.174 nan 8.290 nan 0.000 0.568 1153 E N 1.386 121.533 120.200 -0.088 0.000 2.352 1153 E HA -0.128 4.222 4.350 0.001 0.000 0.203 1153 E C 0.902 177.459 176.600 -0.072 0.000 1.024 1153 E CA 1.499 57.852 56.400 -0.079 0.000 0.842 1153 E CB -0.227 29.427 29.700 -0.077 0.000 0.753 1153 E HN 0.504 nan 8.360 nan 0.000 0.508 1154 A N -1.040 121.725 122.820 -0.093 0.000 2.637 1154 A HA 0.501 4.822 4.320 0.001 0.000 0.293 1154 A C 0.835 178.371 177.584 -0.079 0.000 1.216 1154 A CA 0.321 52.307 52.037 -0.085 0.000 0.956 1154 A CB 0.490 19.424 19.000 -0.110 0.000 1.174 1154 A HN 0.096 nan 8.150 nan 0.000 0.525 1155 S N -1.495 114.166 115.700 -0.064 0.000 5.515 1155 S HA 0.070 4.541 4.470 0.001 0.000 0.145 1155 S C 0.170 174.751 174.600 -0.031 0.000 1.350 1155 S CA 0.659 58.828 58.200 -0.051 0.000 1.034 1155 S CB -0.481 62.683 63.200 -0.060 0.000 2.011 1155 S HN 0.169 nan 8.310 nan 0.000 0.655 1156 D N 1.656 122.048 120.400 -0.013 0.000 2.087 1156 D HA 0.252 4.893 4.640 0.001 0.000 0.218 1156 D C 0.915 177.262 176.300 0.079 0.000 0.982 1156 D CA 1.901 55.921 54.000 0.033 0.000 0.900 1156 D CB -0.989 39.848 40.800 0.061 0.000 1.072 1156 D HN 1.154 nan 8.370 nan 0.000 0.459 1157 A N -0.041 122.835 122.820 0.093 0.000 2.053 1157 A HA -0.125 4.195 4.320 0.001 0.000 0.540 1157 A C -0.470 177.290 177.584 0.292 0.000 0.375 1157 A CA 0.564 52.670 52.037 0.115 0.000 0.339 1157 A CB -1.336 17.678 19.000 0.023 0.000 3.142 1157 A HN 0.326 nan 8.150 nan 0.000 0.431 1158 F N 2.855 122.859 119.950 0.090 0.000 2.665 1158 F HA 0.678 5.205 4.527 0.001 0.000 0.308 1158 F C -0.424 175.470 175.800 0.157 0.000 1.112 1158 F CA -0.905 57.173 58.000 0.129 0.000 0.972 1158 F CB 1.399 40.491 39.000 0.153 0.000 1.295 1158 F HN 0.740 nan 8.300 nan 0.000 0.440 1159 R N 5.065 125.247 120.500 -0.531 0.000 2.275 1159 R HA 0.673 5.013 4.340 0.001 0.000 0.326 1159 R C -1.721 174.061 176.300 -0.863 0.000 0.973 1159 R CA -0.195 55.628 56.100 -0.461 0.000 0.854 1159 R CB 0.855 31.064 30.300 -0.153 0.000 1.156 1159 R HN 0.541 nan 8.270 nan 0.000 0.487 1160 V N 3.101 122.609 119.914 -0.677 0.000 3.166 1160 V HA 0.532 4.652 4.120 0.001 0.000 0.317 1160 V C 0.170 175.972 176.094 -0.487 0.000 1.136 1160 V CA -0.952 61.037 62.300 -0.519 0.000 1.035 1160 V CB 2.125 33.782 31.823 -0.277 0.000 1.110 1160 V HN 0.660 nan 8.190 nan 0.000 0.450 1161 H N 0.359 119.370 119.070 -0.098 0.000 2.670 1161 H HA 0.757 5.313 4.556 0.001 0.000 0.361 1161 H C -0.836 174.470 175.328 -0.037 0.000 1.169 1161 H CA -0.310 55.693 56.048 -0.075 0.000 1.198 1161 H CB 2.377 32.111 29.762 -0.047 0.000 1.700 1161 H HN 0.460 nan 8.280 nan 0.000 0.542 1162 I N 0.090 120.722 120.570 0.103 0.000 3.343 1162 I HA 0.245 4.415 4.170 0.001 0.000 0.315 1162 I C -0.343 175.815 176.117 0.069 0.000 1.153 1162 I CA -1.017 60.332 61.300 0.082 0.000 0.952 1162 I CB 2.427 40.479 38.000 0.086 0.000 1.287 1162 I HN 0.456 nan 8.210 nan 0.000 0.472 1163 C N 0.642 119.985 119.300 0.072 0.000 2.351 1163 C HA 0.659 5.119 4.460 0.001 0.000 0.326 1163 C C 1.467 176.499 174.990 0.069 0.000 1.272 1163 C CA -0.110 58.938 59.018 0.050 0.000 1.650 1163 C CB 0.310 28.072 27.740 0.037 0.000 2.257 1163 C HN 1.005 nan 8.230 nan 0.000 0.505 1164 G N 3.758 112.616 108.800 0.095 0.000 2.679 1164 G HA2 0.038 3.998 3.960 0.001 0.000 0.212 1164 G HA3 0.038 3.998 3.960 0.001 0.000 0.212 1164 G C 0.965 175.769 174.900 -0.160 0.000 1.137 1164 G CA 0.669 45.806 45.100 0.062 0.000 0.787 1164 G HN 0.827 nan 8.290 nan 0.000 0.534 1165 I N 0.117 120.638 120.570 -0.081 0.000 2.834 1165 I HA 0.076 4.246 4.170 0.001 0.000 0.239 1165 I C 1.010 177.129 176.117 0.003 0.000 1.073 1165 I CA 0.267 61.518 61.300 -0.082 0.000 1.459 1165 I CB 0.262 38.246 38.000 -0.026 0.000 1.288 1165 I HN 0.214 nan 8.210 nan 0.000 0.455 1166 c N 1.681 120.321 118.600 0.067 0.000 2.225 1166 c HA 0.621 5.191 4.570 0.001 0.000 0.328 1166 c C 1.184 175.377 174.090 0.171 0.000 1.187 1166 c CA -1.269 55.139 56.329 0.132 0.000 1.665 1166 c CB -0.641 41.911 42.510 0.071 0.000 2.253 1166 c HN 0.601 nan 8.230 nan 0.000 0.497 1167 G N 4.574 113.585 108.800 0.353 0.000 2.800 1167 G HA2 0.347 4.307 3.960 0.001 0.000 0.268 1167 G HA3 0.347 4.307 3.960 0.001 0.000 0.268 1167 G C -0.170 174.756 174.900 0.044 0.000 0.707 1167 G CA 0.218 45.479 45.100 0.269 0.000 2.070 1167 G HN 0.855 nan 8.290 nan 0.000 0.579 1168 L N -0.479 120.773 121.223 0.049 0.000 2.303 1168 L HA 0.425 4.765 4.340 0.001 0.000 0.256 1168 L C 1.310 178.202 176.870 0.037 0.000 1.034 1168 L CA -1.223 53.626 54.840 0.015 0.000 0.832 1168 L CB 1.667 43.738 42.059 0.019 0.000 1.403 1168 L HN 0.056 nan 8.230 nan 0.000 0.419 1169 M N -0.697 118.928 119.600 0.043 0.000 2.595 1169 M HA -0.013 4.467 4.480 0.001 0.000 0.248 1169 M C 1.638 177.983 176.300 0.075 0.000 1.119 1169 M CA 0.476 55.816 55.300 0.067 0.000 1.079 1169 M CB -0.891 31.758 32.600 0.081 0.000 1.472 1169 M HN 0.870 nan 8.290 nan 0.000 0.501 1170 T N 1.295 115.885 114.554 0.061 0.000 2.527 1170 T HA -0.191 4.159 4.350 0.001 0.000 0.258 1170 T C 1.074 175.815 174.700 0.068 0.000 1.175 1170 T CA 1.039 63.174 62.100 0.059 0.000 1.168 1170 T CB -1.385 67.512 68.868 0.047 0.000 0.860 1170 T HN 0.303 nan 8.240 nan 0.000 0.429 1171 V N 2.354 122.309 119.914 0.068 0.000 3.099 1171 V HA -0.168 3.953 4.120 0.001 0.000 0.272 1171 V C 0.662 176.809 176.094 0.088 0.000 1.559 1171 V CA 0.715 63.059 62.300 0.074 0.000 1.518 1171 V CB -0.789 31.079 31.823 0.075 0.000 0.834 1171 V HN 0.442 nan 8.190 nan 0.000 0.466 1172 I N 4.989 125.609 120.570 0.082 0.000 2.318 1172 I HA 0.369 4.539 4.170 0.001 0.000 0.285 1172 I C 0.861 177.011 176.117 0.055 0.000 1.127 1172 I CA -0.147 61.193 61.300 0.066 0.000 1.243 1172 I CB 0.517 38.545 38.000 0.047 0.000 1.498 1172 I HN 0.772 nan 8.210 nan 0.000 0.535 1173 A N 5.441 128.293 122.820 0.053 0.000 2.444 1173 A HA 0.248 4.568 4.320 0.001 0.000 0.273 1173 A C 0.749 178.243 177.584 -0.150 0.000 1.136 1173 A CA -0.127 51.882 52.037 -0.047 0.000 0.799 1173 A CB 0.036 18.922 19.000 -0.190 0.000 1.081 1173 A HN 0.638 nan 8.150 nan 0.000 0.509 1174 K N 3.131 123.344 120.400 -0.310 0.000 2.570 1174 K HA 0.216 4.536 4.320 0.001 0.000 0.210 1174 K C -0.413 176.028 176.600 -0.264 0.000 1.048 1174 K CA -0.243 55.917 56.287 -0.212 0.000 1.167 1174 K CB -0.138 32.277 32.500 -0.142 0.000 0.892 1174 K HN 0.783 nan 8.250 nan 0.000 0.480 1175 L N 1.963 123.017 121.223 -0.282 0.000 7.052 1175 L HA -0.323 4.017 4.340 0.001 0.000 0.473 1175 L C 0.740 177.489 176.870 -0.201 0.000 1.621 1175 L CA 0.447 55.168 54.840 -0.199 0.000 0.515 1175 L CB -1.324 40.715 42.059 -0.033 0.000 1.383 1175 L HN 0.521 nan 8.230 nan 0.000 0.433 1176 N N -1.152 117.376 118.700 -0.287 0.000 2.587 1176 N HA -0.023 4.717 4.740 0.001 0.000 0.341 1176 N C 0.888 176.171 175.510 -0.378 0.000 0.585 1176 N CA -0.136 52.688 53.050 -0.377 0.000 1.401 1176 N CB 0.249 38.377 38.487 -0.597 0.000 1.700 1176 N HN 0.457 nan 8.380 nan 0.000 1.698 1177 H N 2.437 121.425 119.070 -0.136 0.000 2.538 1177 H HA 0.333 4.890 4.556 0.001 0.000 0.286 1177 H C 0.195 175.409 175.328 -0.190 0.000 1.035 1177 H CA -0.018 55.953 56.048 -0.127 0.000 1.169 1177 H CB -0.101 29.597 29.762 -0.106 0.000 1.417 1177 H HN 0.342 nan 8.280 nan 0.000 0.567 1178 N N 0.716 119.279 118.700 -0.228 0.000 2.848 1178 N HA -0.250 4.491 4.740 0.001 0.000 0.236 1178 N C 0.157 175.286 175.510 -0.635 0.000 0.951 1178 N CA 0.985 53.790 53.050 -0.408 0.000 1.021 1178 N CB -0.815 37.572 38.487 -0.166 0.000 1.090 1178 N HN 0.582 nan 8.380 nan 0.000 0.611 1179 Q N -0.989 118.596 119.800 -0.358 0.000 2.352 1179 Q HA -0.016 4.324 4.340 0.001 0.000 0.326 1179 Q C 0.762 176.478 176.000 -0.474 0.000 1.135 1179 Q CA 0.902 56.545 55.803 -0.266 0.000 1.000 1179 Q CB 0.135 28.800 28.738 -0.121 0.000 1.237 1179 Q HN 0.404 nan 8.270 nan 0.000 0.409 1180 F N -0.643 119.267 119.950 -0.067 0.000 2.570 1180 F HA 0.078 4.605 4.527 0.001 0.000 0.290 1180 F C 0.484 176.238 175.800 -0.075 0.000 0.910 1180 F CA -0.366 57.573 58.000 -0.102 0.000 1.119 1180 F CB 0.702 39.625 39.000 -0.128 0.000 0.922 1180 F HN 0.601 nan 8.300 nan 0.000 0.703 1181 E N -0.430 119.854 120.200 0.140 0.000 7.804 1181 E HA -0.398 3.952 4.350 0.001 0.000 0.161 1181 E C -0.153 176.484 176.600 0.062 0.000 1.481 1181 E CA 1.273 57.717 56.400 0.073 0.000 2.592 1181 E CB -0.489 29.238 29.700 0.044 0.000 1.602 1181 E HN 0.476 nan 8.360 nan 0.000 0.408 1182 C N 1.206 120.531 119.300 0.040 0.000 2.369 1182 C HA 0.063 4.524 4.460 0.001 0.000 0.363 1182 C C -0.747 174.259 174.990 0.027 0.000 1.137 1182 C CA -0.165 58.874 59.018 0.035 0.000 0.631 1182 C CB -1.229 26.529 27.740 0.029 0.000 1.589 1182 C HN 0.652 nan 8.230 nan 0.000 0.776 1183 K N 1.153 121.568 120.400 0.025 0.000 2.544 1183 K HA 0.424 4.745 4.320 0.001 0.000 0.274 1183 K C 1.511 178.122 176.600 0.020 0.000 0.962 1183 K CA 1.449 57.748 56.287 0.019 0.000 0.946 1183 K CB -0.185 32.326 32.500 0.018 0.000 0.905 1183 K HN 1.729 nan 8.250 nan 0.000 0.521 1184 G N -0.715 108.095 108.800 0.016 0.000 2.527 1184 G HA2 -0.329 3.631 3.960 0.001 0.000 0.218 1184 G HA3 -0.329 3.631 3.960 0.001 0.000 0.218 1184 G C 1.105 176.015 174.900 0.016 0.000 1.177 1184 G CA 0.081 45.191 45.100 0.017 0.000 0.695 1184 G HN 0.665 nan 8.290 nan 0.000 0.517 1185 c N 1.104 119.714 118.600 0.017 0.000 3.188 1185 c HA 0.520 5.090 4.570 0.001 0.000 0.315 1185 c C 0.601 174.698 174.090 0.011 0.000 1.285 1185 c CA -0.086 56.252 56.329 0.015 0.000 1.729 1185 c CB 0.002 42.523 42.510 0.019 0.000 2.257 1185 c HN 0.868 nan 8.230 nan 0.000 0.645 1186 D N 2.256 122.663 120.400 0.013 0.000 4.597 1186 D HA -0.166 4.475 4.640 0.001 0.000 0.234 1186 D C -0.522 175.782 176.300 0.007 0.000 1.052 1186 D CA 0.918 54.924 54.000 0.011 0.000 1.265 1186 D CB -0.271 40.534 40.800 0.008 0.000 0.738 1186 D HN 0.547 nan 8.370 nan 0.000 0.372 1187 N N 2.770 121.475 118.700 0.009 0.000 3.512 1187 N HA 0.511 5.252 4.740 0.001 0.000 0.360 1187 N C 0.504 176.020 175.510 0.011 0.000 1.593 1187 N CA -0.065 52.986 53.050 0.001 0.000 0.672 1187 N CB 1.123 39.605 38.487 -0.010 0.000 2.105 1187 N HN 0.544 nan 8.380 nan 0.000 0.645 1188 K N -1.027 119.377 120.400 0.007 0.000 0.979 1188 K HA 0.122 4.442 4.320 0.001 0.000 0.063 1188 K C 0.882 177.491 176.600 0.015 0.000 2.397 1188 K CA 0.135 56.445 56.287 0.039 0.000 0.955 1188 K CB -0.413 32.106 32.500 0.032 0.000 2.674 1188 K HN 0.327 nan 8.250 nan 0.000 0.318 1189 I N 0.722 121.274 120.570 -0.029 0.000 3.325 1189 I HA 0.021 4.191 4.170 0.001 0.000 0.237 1189 I C 0.322 176.358 176.117 -0.134 0.000 1.068 1189 I CA 0.150 61.414 61.300 -0.060 0.000 1.511 1189 I CB 0.238 38.213 38.000 -0.042 0.000 1.409 1189 I HN 0.029 nan 8.210 nan 0.000 0.464 1190 D N 2.255 122.585 120.400 -0.118 0.000 2.367 1190 D HA 0.355 4.995 4.640 0.001 0.000 0.255 1190 D C -0.746 175.422 176.300 -0.219 0.000 1.300 1190 D CA 0.607 54.512 54.000 -0.158 0.000 0.959 1190 D CB 0.060 40.836 40.800 -0.040 0.000 1.064 1190 D HN 0.047 nan 8.370 nan 0.000 0.509 1191 I N 3.315 123.595 120.570 -0.483 0.000 2.692 1191 I HA 0.258 4.428 4.170 0.001 0.000 0.293 1191 I C -1.067 174.589 176.117 -0.769 0.000 1.200 1191 I CA -0.885 60.129 61.300 -0.476 0.000 1.036 1191 I CB 1.456 39.136 38.000 -0.534 0.000 1.258 1191 I HN 0.228 nan 8.210 nan 0.000 0.421 1192 Y N 3.217 123.417 120.300 -0.166 0.000 2.621 1192 Y HA 0.545 5.095 4.550 0.001 0.000 0.334 1192 Y C -0.114 175.717 175.900 -0.116 0.000 1.074 1192 Y CA -0.678 57.339 58.100 -0.138 0.000 1.149 1192 Y CB 1.357 39.750 38.460 -0.111 0.000 1.302 1192 Y HN 0.379 nan 8.280 nan 0.000 0.501 1193 Q N 2.654 122.448 119.800 -0.010 0.000 2.337 1193 Q HA 0.704 5.045 4.340 0.001 0.000 0.270 1193 Q C -1.619 174.243 176.000 -0.230 0.000 1.043 1193 Q CA -0.762 54.915 55.803 -0.211 0.000 0.794 1193 Q CB 2.126 30.727 28.738 -0.229 0.000 1.281 1193 Q HN 0.783 nan 8.270 nan 0.000 0.446 1194 I N -0.518 119.870 120.570 -0.303 0.000 2.865 1194 I HA 0.532 4.703 4.170 0.001 0.000 0.302 1194 I C -1.260 174.688 176.117 -0.280 0.000 1.140 1194 I CA -1.044 60.105 61.300 -0.253 0.000 1.021 1194 I CB 2.342 40.283 38.000 -0.098 0.000 1.233 1194 I HN 0.537 nan 8.210 nan 0.000 0.427 1195 H N 5.709 124.743 119.070 -0.061 0.000 2.488 1195 H HA 0.770 5.327 4.556 0.001 0.000 0.322 1195 H C -0.524 174.800 175.328 -0.006 0.000 1.078 1195 H CA -0.372 55.647 56.048 -0.049 0.000 1.260 1195 H CB 1.776 31.521 29.762 -0.028 0.000 1.425 1195 H HN 0.754 nan 8.280 nan 0.000 0.471 1196 I N 0.048 120.707 120.570 0.148 0.000 2.908 1196 I HA 0.435 4.606 4.170 0.001 0.000 0.300 1196 I C -2.988 173.210 176.117 0.134 0.000 1.385 1196 I CA -2.617 58.753 61.300 0.117 0.000 1.004 1196 I CB 3.055 41.123 38.000 0.114 0.000 1.309 1196 I HN 0.181 nan 8.210 nan 0.000 0.449 1197 P HA -0.082 nan 4.420 nan 0.000 0.263 1197 P C 0.128 177.506 177.300 0.130 0.000 1.195 1197 P CA 0.442 63.597 63.100 0.092 0.000 0.762 1197 P CB 0.446 32.160 31.700 0.023 0.000 0.799 1198 Y N 4.554 124.893 120.300 0.064 0.000 2.193 1198 Y HA -0.311 4.239 4.550 0.001 0.000 0.285 1198 Y C 2.418 178.288 175.900 -0.050 0.000 1.166 1198 Y CA 2.255 60.362 58.100 0.011 0.000 1.181 1198 Y CB -0.441 37.926 38.460 -0.156 0.000 0.976 1198 Y HN 0.483 nan 8.280 nan 0.000 0.520 1199 A N 0.412 123.341 122.820 0.180 0.000 1.883 1199 A HA -0.222 4.098 4.320 0.001 0.000 0.217 1199 A C 2.423 179.948 177.584 -0.099 0.000 1.186 1199 A CA 2.003 54.078 52.037 0.064 0.000 0.624 1199 A CB -1.583 17.424 19.000 0.013 0.000 0.822 1199 A HN 0.626 nan 8.150 nan 0.000 0.444 1200 A N 0.188 122.901 122.820 -0.179 0.000 1.859 1200 A HA -0.274 4.046 4.320 0.001 0.000 0.217 1200 A C 2.164 179.356 177.584 -0.653 0.000 1.198 1200 A CA 2.495 54.245 52.037 -0.478 0.000 0.629 1200 A CB -0.729 18.059 19.000 -0.353 0.000 0.830 1200 A HN 0.602 nan 8.150 nan 0.000 0.446 1201 K N -0.409 119.821 120.400 -0.285 0.000 2.032 1201 K HA -0.237 4.083 4.320 0.001 0.000 0.218 1201 K C 2.049 178.580 176.600 -0.115 0.000 1.054 1201 K CA 2.116 58.342 56.287 -0.102 0.000 0.941 1201 K CB -0.541 31.863 32.500 -0.160 0.000 0.720 1201 K HN 0.470 nan 8.250 nan 0.000 0.449 1202 L N 0.849 121.971 121.223 -0.168 0.000 1.990 1202 L HA -0.245 4.095 4.340 0.001 0.000 0.213 1202 L C 2.755 179.593 176.870 -0.054 0.000 1.072 1202 L CA 1.375 56.178 54.840 -0.062 0.000 0.755 1202 L CB -0.483 41.592 42.059 0.026 0.000 0.889 1202 L HN 0.382 nan 8.230 nan 0.000 0.432 1203 L N -0.353 120.773 121.223 -0.162 0.000 2.010 1203 L HA -0.322 4.019 4.340 0.001 0.000 0.219 1203 L C 2.196 179.073 176.870 0.012 0.000 1.077 1203 L CA 2.116 56.866 54.840 -0.150 0.000 0.773 1203 L CB -0.785 41.067 42.059 -0.345 0.000 0.892 1203 L HN 0.142 nan 8.230 nan 0.000 0.436 1204 F N -0.778 119.173 119.950 0.002 0.000 2.051 1204 F HA -0.260 4.267 4.527 0.001 0.000 0.296 1204 F C 2.677 178.478 175.800 0.001 0.000 1.122 1204 F CA 1.237 59.236 58.000 -0.002 0.000 1.201 1204 F CB -0.555 38.442 39.000 -0.005 0.000 0.978 1204 F HN 0.164 nan 8.300 nan 0.000 0.472 1205 Q N 0.522 120.446 119.800 0.207 0.000 2.077 1205 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 1205 Q C 2.007 178.061 176.000 0.090 0.000 0.989 1205 Q CA 1.965 57.838 55.803 0.117 0.000 0.853 1205 Q CB -0.368 28.416 28.738 0.077 0.000 0.907 1205 Q HN 0.543 nan 8.270 nan 0.000 0.418 1206 E N 0.648 120.895 120.200 0.078 0.000 2.049 1206 E HA -0.218 4.132 4.350 0.001 0.000 0.198 1206 E C 2.149 178.790 176.600 0.067 0.000 1.007 1206 E CA 1.009 57.446 56.400 0.060 0.000 0.809 1206 E CB -0.240 29.486 29.700 0.045 0.000 0.749 1206 E HN 0.298 nan 8.360 nan 0.000 0.450 1207 L N 0.379 121.658 121.223 0.094 0.000 1.963 1207 L HA -0.313 4.027 4.340 0.001 0.000 0.220 1207 L C 2.718 179.626 176.870 0.062 0.000 1.076 1207 L CA 1.592 56.484 54.840 0.087 0.000 0.772 1207 L CB -0.428 41.711 42.059 0.134 0.000 0.892 1207 L HN 0.261 nan 8.230 nan 0.000 0.435 1208 M N -0.788 118.852 119.600 0.066 0.000 2.151 1208 M HA -0.323 4.158 4.480 0.001 0.000 0.256 1208 M C 2.367 178.689 176.300 0.037 0.000 1.072 1208 M CA 2.252 57.578 55.300 0.043 0.000 1.090 1208 M CB -0.772 31.856 32.600 0.047 0.000 1.294 1208 M HN 0.401 nan 8.290 nan 0.000 0.415 1209 A N -0.410 122.436 122.820 0.042 0.000 2.093 1209 A HA -0.166 4.155 4.320 0.001 0.000 0.222 1209 A C 1.981 179.583 177.584 0.029 0.000 1.162 1209 A CA 1.632 53.690 52.037 0.035 0.000 0.655 1209 A CB -0.753 18.269 19.000 0.037 0.000 0.805 1209 A HN 0.582 nan 8.150 nan 0.000 0.461 1210 M N -1.214 118.404 119.600 0.030 0.000 2.453 1210 M HA 0.104 4.585 4.480 0.001 0.000 0.239 1210 M C 0.527 176.839 176.300 0.020 0.000 1.151 1210 M CA 0.036 55.351 55.300 0.025 0.000 0.989 1210 M CB -0.091 32.525 32.600 0.027 0.000 1.548 1210 M HN 0.580 nan 8.290 nan 0.000 0.479 1211 N N 1.373 120.084 118.700 0.020 0.000 2.818 1211 N HA -0.159 4.582 4.740 0.001 0.000 0.250 1211 N C -0.837 174.679 175.510 0.009 0.000 1.108 1211 N CA 0.460 53.518 53.050 0.014 0.000 0.745 1211 N CB -0.617 37.877 38.487 0.012 0.000 1.104 1211 N HN 0.381 nan 8.380 nan 0.000 0.557 1212 I N 1.423 122.000 120.570 0.011 0.000 2.441 1212 I HA 0.188 4.358 4.170 0.001 0.000 0.295 1212 I C 0.559 176.671 176.117 -0.008 0.000 0.994 1212 I CA -0.433 60.868 61.300 0.002 0.000 1.144 1212 I CB 1.759 39.764 38.000 0.010 0.000 1.314 1212 I HN 0.090 nan 8.210 nan 0.000 0.445 1213 T N 4.335 118.870 114.554 -0.031 0.000 2.770 1213 T HA 0.517 4.867 4.350 0.001 0.000 0.297 1213 T C -2.354 172.276 174.700 -0.116 0.000 0.997 1213 T CA -1.653 60.411 62.100 -0.060 0.000 0.949 1213 T CB 1.001 69.837 68.868 -0.053 0.000 0.941 1213 T HN 0.324 nan 8.240 nan 0.000 0.457 1214 P HA 0.374 nan 4.420 nan 0.000 0.291 1214 P C -0.525 176.549 177.300 -0.375 0.000 1.378 1214 P CA -0.709 62.200 63.100 -0.318 0.000 0.853 1214 P CB 0.737 32.138 31.700 -0.498 0.000 1.002 1215 R N 3.291 123.588 120.500 -0.339 0.000 2.357 1215 R HA 0.447 4.788 4.340 0.001 0.000 0.296 1215 R C 0.029 176.102 176.300 -0.378 0.000 1.052 1215 R CA -0.679 55.201 56.100 -0.366 0.000 0.988 1215 R CB 0.995 30.966 30.300 -0.547 0.000 1.025 1215 R HN 0.553 nan 8.270 nan 0.000 0.469 1216 L N 4.891 125.995 121.223 -0.199 0.000 2.294 1216 L HA 0.386 4.726 4.340 0.001 0.000 0.283 1216 L C -0.882 176.130 176.870 0.236 0.000 1.015 1216 L CA -0.690 54.105 54.840 -0.076 0.000 0.831 1216 L CB 0.568 42.584 42.059 -0.071 0.000 1.217 1216 L HN 0.347 nan 8.230 nan 0.000 0.420 1217 Y N 0.908 121.131 120.300 -0.129 0.000 2.393 1217 Y HA 0.217 4.767 4.550 0.001 0.000 0.341 1217 Y C 1.414 177.200 175.900 -0.189 0.000 0.988 1217 Y CA -1.590 56.418 58.100 -0.153 0.000 1.078 1217 Y CB 2.164 40.553 38.460 -0.119 0.000 1.203 1217 Y HN 0.564 nan 8.280 nan 0.000 0.453 1218 T N -2.569 111.872 114.554 -0.189 0.000 3.129 1218 T HA 0.136 4.486 4.350 0.001 0.000 0.251 1218 T C -0.395 174.188 174.700 -0.196 0.000 1.117 1218 T CA 0.092 62.031 62.100 -0.268 0.000 1.034 1218 T CB -0.511 68.004 68.868 -0.588 0.000 0.968 1218 T HN 0.528 nan 8.240 nan 0.000 0.526 1219 D N 0.350 120.671 120.400 -0.132 0.000 2.934 1219 D HA 0.320 4.960 4.640 0.001 0.000 0.230 1219 D C -0.505 175.788 176.300 -0.011 0.000 1.204 1219 D CA -1.041 52.911 54.000 -0.081 0.000 0.873 1219 D CB 1.151 41.884 40.800 -0.112 0.000 1.645 1219 D HN 0.364 nan 8.370 nan 0.000 0.502 1220 R N 0.524 121.024 120.500 -0.000 0.000 2.308 1220 R HA 0.556 4.897 4.340 0.001 0.000 0.305 1220 R C -0.061 176.251 176.300 0.020 0.000 1.053 1220 R CA -0.622 55.493 56.100 0.024 0.000 0.957 1220 R CB 0.852 31.168 30.300 0.027 0.000 1.022 1220 R HN 0.532 nan 8.270 nan 0.000 0.461 1221 S N 1.891 117.612 115.700 0.035 0.000 2.559 1221 S HA 0.052 4.522 4.470 0.001 0.000 0.226 1221 S C 1.464 176.076 174.600 0.021 0.000 1.030 1221 S CA -0.594 57.620 58.200 0.023 0.000 0.956 1221 S CB 0.187 63.408 63.200 0.035 0.000 0.900 1221 S HN 0.735 nan 8.310 nan 0.000 0.510 1222 R N 1.456 121.980 120.500 0.039 0.000 2.310 1222 R HA 0.090 4.431 4.340 0.001 0.000 0.202 1222 R C -0.510 175.815 176.300 0.042 0.000 0.933 1222 R CA 0.438 56.567 56.100 0.049 0.000 1.054 1222 R CB -0.278 30.073 30.300 0.086 0.000 0.985 1222 R HN 0.328 nan 8.270 nan 0.000 0.489 1223 D N -1.126 119.289 120.400 0.025 0.000 3.582 1223 D HA -0.287 4.354 4.640 0.001 0.000 0.258 1223 D C 0.092 176.469 176.300 0.128 0.000 1.930 1223 D CA 1.831 55.831 54.000 -0.001 0.000 1.144 1223 D CB -0.462 40.261 40.800 -0.129 0.000 0.858 1223 D HN 0.134 nan 8.370 nan 0.000 1.045 1224 F N 0.000 119.948 119.950 -0.003 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.998 58.000 -0.002 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574