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 3k7a_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 ALDFIGRRGT ALGIKKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEEA HDFNMKLAIN 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 MDQEXXXXMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTXXX 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 0.000 176.279 176.300 -0.035 0.000 2.045 20 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 20 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 21 E N -0.275 119.892 120.200 -0.054 0.000 2.463 21 E HA 0.083 4.433 4.350 -0.000 0.000 0.191 21 E C 0.143 176.687 176.600 -0.094 0.000 1.083 21 E CA 0.221 56.570 56.400 -0.085 0.000 0.872 21 E CB 0.181 29.810 29.700 -0.117 0.000 0.966 21 E HN 0.106 nan 8.360 nan 0.000 0.491 22 S N 0.283 115.947 115.700 -0.059 0.000 2.511 22 S HA 0.286 4.756 4.470 -0.000 0.000 0.214 22 S C 0.829 175.412 174.600 -0.029 0.000 0.997 22 S CA -0.036 58.136 58.200 -0.047 0.000 0.908 22 S CB 0.637 63.814 63.200 -0.038 0.000 0.803 22 S HN 0.482 nan 8.310 nan 0.000 0.504 23 A N 3.766 126.573 122.820 -0.023 0.000 2.466 23 A HA 0.456 4.776 4.320 -0.000 0.000 0.238 23 A C -1.951 175.629 177.584 -0.006 0.000 1.074 23 A CA -0.980 51.051 52.037 -0.010 0.000 0.774 23 A CB -0.232 18.766 19.000 -0.004 0.000 1.015 23 A HN 0.154 nan 8.150 nan 0.000 0.498 24 P HA 0.352 nan 4.420 nan 0.000 0.286 24 P C -0.485 176.803 177.300 -0.021 0.000 1.293 24 P CA -0.161 62.931 63.100 -0.014 0.000 0.770 24 P CB 0.393 32.095 31.700 0.003 0.000 1.206 25 I N -0.942 119.593 120.570 -0.059 0.000 2.664 25 I HA 0.375 4.545 4.170 -0.000 0.000 0.308 25 I C 1.130 177.220 176.117 -0.044 0.000 0.984 25 I CA -0.625 60.636 61.300 -0.064 0.000 1.213 25 I CB 1.286 39.183 38.000 -0.172 0.000 1.379 25 I HN 0.329 nan 8.210 nan 0.000 0.501 26 T N 0.112 114.663 114.554 -0.004 0.000 2.922 26 T HA 0.571 4.921 4.350 -0.000 0.000 0.281 26 T C 0.904 175.629 174.700 0.041 0.000 1.005 26 T CA -0.273 61.837 62.100 0.017 0.000 0.982 26 T CB 1.658 70.555 68.868 0.048 0.000 1.158 26 T HN 0.628 nan 8.240 nan 0.000 0.566 27 A N 0.087 122.946 122.820 0.066 0.000 1.898 27 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 27 A C 2.210 179.932 177.584 0.229 0.000 1.181 27 A CA 1.970 54.073 52.037 0.111 0.000 0.620 27 A CB -1.254 17.807 19.000 0.101 0.000 0.819 27 A HN 0.991 nan 8.150 nan 0.000 0.442 28 E N 0.720 121.068 120.200 0.246 0.000 2.130 28 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 28 E C 1.231 178.029 176.600 0.331 0.000 0.998 28 E CA 1.839 58.432 56.400 0.323 0.000 0.806 28 E CB -0.345 29.486 29.700 0.218 0.000 0.738 28 E HN 0.521 nan 8.360 nan 0.000 0.459 29 D N -0.658 119.880 120.400 0.229 0.000 2.269 29 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 29 D C 1.779 178.237 176.300 0.263 0.000 0.963 29 D CA 1.229 55.359 54.000 0.217 0.000 0.864 29 D CB -0.228 40.655 40.800 0.138 0.000 0.936 29 D HN 0.347 nan 8.370 nan 0.000 0.505 30 S N -1.060 114.791 115.700 0.253 0.000 2.474 30 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 30 S C 1.846 176.550 174.600 0.174 0.000 0.997 30 S CA 0.164 58.531 58.200 0.278 0.000 0.949 30 S CB -0.722 62.643 63.200 0.274 0.000 0.766 30 S HN 0.361 nan 8.310 nan 0.000 0.517 31 W N 1.672 123.121 121.300 0.249 0.000 2.518 31 W HA 0.348 5.008 4.660 -0.000 0.000 0.273 31 W C 2.749 179.416 176.519 0.247 0.000 1.247 31 W CA 0.255 57.732 57.345 0.220 0.000 1.288 31 W CB -0.260 29.311 29.460 0.185 0.000 1.107 31 W HN 0.390 nan 8.180 nan 0.000 0.586 32 A N -0.148 122.934 122.820 0.438 0.000 1.969 32 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 32 A C 1.914 179.692 177.584 0.323 0.000 1.169 32 A CA 1.791 54.042 52.037 0.358 0.000 0.635 32 A CB -0.893 18.287 19.000 0.299 0.000 0.810 32 A HN 0.098 nan 8.150 nan 0.000 0.445 33 V N 0.226 120.326 119.914 0.310 0.000 2.358 33 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 33 V C 2.378 178.592 176.094 0.200 0.000 1.047 33 V CA 1.776 64.255 62.300 0.300 0.000 1.035 33 V CB -0.705 31.314 31.823 0.326 0.000 0.658 33 V HN 0.568 nan 8.190 nan 0.000 0.452 34 I N 0.067 120.678 120.570 0.068 0.000 2.163 34 I HA -0.254 3.915 4.170 -0.000 0.000 0.243 34 I C 2.670 178.722 176.117 -0.108 0.000 1.085 34 I CA 1.668 62.877 61.300 -0.151 0.000 1.347 34 I CB -0.504 37.453 38.000 -0.071 0.000 1.044 34 I HN 0.261 nan 8.210 nan 0.000 0.408 35 S N 0.735 116.543 115.700 0.181 0.000 2.359 35 S HA -0.262 4.208 4.470 -0.000 0.000 0.223 35 S C 2.257 176.988 174.600 0.218 0.000 1.039 35 S CA 1.676 60.065 58.200 0.315 0.000 1.042 35 S CB -0.472 63.001 63.200 0.455 0.000 0.915 35 S HN 0.575 nan 8.310 nan 0.000 0.439 36 A N 0.689 123.643 122.820 0.223 0.000 1.940 36 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 36 A C 1.871 179.532 177.584 0.128 0.000 1.176 36 A CA 1.620 53.790 52.037 0.223 0.000 0.631 36 A CB -0.900 18.277 19.000 0.294 0.000 0.814 36 A HN 0.510 nan 8.150 nan 0.000 0.446 37 F N -0.213 119.584 119.950 -0.255 0.000 2.025 37 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 37 F C 2.008 177.422 175.800 -0.644 0.000 1.132 37 F CA 2.235 59.678 58.000 -0.929 0.000 1.191 37 F CB -0.535 37.595 39.000 -1.450 0.000 0.963 37 F HN 0.242 nan 8.300 nan 0.000 0.481 38 F N 0.233 120.075 119.950 -0.180 0.000 2.234 38 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 38 F C 2.487 178.218 175.800 -0.116 0.000 1.087 38 F CA 0.935 58.829 58.000 -0.178 0.000 1.340 38 F CB -0.511 38.428 39.000 -0.102 0.000 1.031 38 F HN -0.167 nan 8.300 nan 0.000 0.500 39 R N 0.225 120.803 120.500 0.131 0.000 2.170 39 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 39 R C 1.992 178.311 176.300 0.032 0.000 1.145 39 R CA 1.826 57.991 56.100 0.108 0.000 0.984 39 R CB -0.388 29.992 30.300 0.134 0.000 0.869 39 R HN 0.454 nan 8.270 nan 0.000 0.455 40 E N 0.277 120.443 120.200 -0.056 0.000 2.206 40 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 40 E C 1.499 178.004 176.600 -0.159 0.000 0.935 40 E CA 0.219 56.572 56.400 -0.079 0.000 0.875 40 E CB 0.416 30.091 29.700 -0.041 0.000 0.841 40 E HN 0.124 nan 8.360 nan 0.000 0.477 41 K N 0.156 120.351 120.400 -0.342 0.000 2.099 41 K HA 0.173 4.493 4.320 -0.000 0.000 0.203 41 K C 0.948 177.463 176.600 -0.142 0.000 1.047 41 K CA 0.722 56.791 56.287 -0.363 0.000 0.963 41 K CB 0.346 32.349 32.500 -0.828 0.000 0.759 41 K HN 0.241 nan 8.250 nan 0.000 0.451 42 G N 1.060 109.852 108.800 -0.013 0.000 2.760 42 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 42 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 42 G C 0.119 175.109 174.900 0.150 0.000 1.359 42 G CA -0.466 44.686 45.100 0.087 0.000 0.861 42 G HN 0.167 nan 8.290 nan 0.000 0.541 43 L N -0.201 121.071 121.223 0.082 0.000 2.628 43 L HA 0.320 4.660 4.340 -0.000 0.000 0.229 43 L C 1.641 178.530 176.870 0.033 0.000 1.137 43 L CA 0.678 55.559 54.840 0.069 0.000 0.909 43 L CB 0.186 42.224 42.059 -0.034 0.000 1.137 43 L HN 0.871 nan 8.230 nan 0.000 0.470 44 V N -5.554 114.367 119.914 0.011 0.000 3.172 44 V HA 0.176 4.296 4.120 -0.000 0.000 0.343 44 V C 1.714 177.786 176.094 -0.037 0.000 1.429 44 V CA 0.264 62.551 62.300 -0.021 0.000 1.149 44 V CB -0.015 31.792 31.823 -0.027 0.000 1.106 44 V HN 0.271 nan 8.190 nan 0.000 0.526 45 S N 2.203 117.877 115.700 -0.043 0.000 2.372 45 S HA -0.405 4.065 4.470 -0.000 0.000 0.227 45 S C 1.944 176.507 174.600 -0.062 0.000 1.044 45 S CA 2.257 60.415 58.200 -0.070 0.000 1.050 45 S CB -0.799 62.324 63.200 -0.128 0.000 0.901 45 S HN 0.885 nan 8.310 nan 0.000 0.447 46 Q N 1.032 120.787 119.800 -0.075 0.000 2.142 46 Q HA -0.276 4.064 4.340 -0.000 0.000 0.213 46 Q C 2.307 178.281 176.000 -0.043 0.000 1.004 46 Q CA 1.893 57.650 55.803 -0.077 0.000 0.883 46 Q CB -0.636 28.048 28.738 -0.090 0.000 0.939 46 Q HN 0.496 nan 8.270 nan 0.000 0.413 47 Q N 0.661 120.434 119.800 -0.046 0.000 1.990 47 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 47 Q C 2.424 178.422 176.000 -0.003 0.000 0.980 47 Q CA 1.517 57.294 55.803 -0.043 0.000 0.832 47 Q CB -0.336 28.349 28.738 -0.089 0.000 0.897 47 Q HN 0.492 nan 8.270 nan 0.000 0.427 48 L N 0.957 122.172 121.223 -0.013 0.000 1.989 48 L HA -0.231 4.108 4.340 -0.000 0.000 0.211 48 L C 2.089 179.013 176.870 0.090 0.000 1.071 48 L CA 1.326 56.187 54.840 0.035 0.000 0.749 48 L CB -0.670 41.390 42.059 0.002 0.000 0.890 48 L HN 0.132 nan 8.230 nan 0.000 0.431 49 D N -0.596 119.831 120.400 0.044 0.000 2.158 49 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 49 D C 2.385 178.729 176.300 0.073 0.000 0.995 49 D CA 1.618 55.646 54.000 0.046 0.000 0.846 49 D CB -0.134 40.675 40.800 0.014 0.000 0.941 49 D HN 0.149 nan 8.370 nan 0.000 0.456 50 S N -1.165 114.586 115.700 0.085 0.000 2.387 50 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 50 S C 1.713 176.431 174.600 0.197 0.000 1.026 50 S CA 0.392 58.657 58.200 0.109 0.000 0.972 50 S CB -0.288 62.961 63.200 0.081 0.000 0.814 50 S HN 0.225 nan 8.310 nan 0.000 0.477 51 F N 2.814 122.812 119.950 0.079 0.000 2.187 51 F HA 0.139 4.666 4.527 -0.000 0.000 0.295 51 F C 2.015 177.918 175.800 0.172 0.000 1.091 51 F CA 1.206 59.294 58.000 0.147 0.000 1.308 51 F CB -0.517 38.546 39.000 0.105 0.000 1.030 51 F HN 0.201 nan 8.300 nan 0.000 0.487 52 N N 0.553 119.328 118.700 0.125 0.000 2.205 52 N HA -0.229 4.510 4.740 -0.000 0.000 0.186 52 N C 1.773 177.295 175.510 0.021 0.000 1.015 52 N CA 1.355 54.422 53.050 0.028 0.000 0.862 52 N CB -0.502 38.034 38.487 0.082 0.000 0.986 52 N HN 0.407 nan 8.380 nan 0.000 0.429 53 Q N 0.058 119.894 119.800 0.060 0.000 2.172 53 Q HA -0.012 4.328 4.340 -0.000 0.000 0.200 53 Q C 1.732 177.770 176.000 0.063 0.000 0.964 53 Q CA 0.953 56.798 55.803 0.070 0.000 0.855 53 Q CB -0.386 28.368 28.738 0.027 0.000 0.918 53 Q HN 0.360 nan 8.270 nan 0.000 0.444 54 F N -0.811 119.058 119.950 -0.136 0.000 2.163 54 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 54 F C 1.614 177.228 175.800 -0.311 0.000 1.094 54 F CA 0.978 58.855 58.000 -0.204 0.000 1.290 54 F CB -0.194 38.682 39.000 -0.207 0.000 1.017 54 F HN -0.044 nan 8.300 nan 0.000 0.483 55 V N 0.754 120.395 119.914 -0.455 0.000 2.229 55 V HA -0.284 3.836 4.120 -0.000 0.000 0.243 55 V C 2.155 178.016 176.094 -0.389 0.000 1.042 55 V CA 2.301 64.299 62.300 -0.504 0.000 1.000 55 V CB -0.717 30.857 31.823 -0.416 0.000 0.637 55 V HN 0.256 nan 8.190 nan 0.000 0.446 56 D N -1.371 118.891 120.400 -0.231 0.000 2.084 56 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 56 D C 1.897 177.972 176.300 -0.375 0.000 0.990 56 D CA 1.914 55.764 54.000 -0.251 0.000 0.826 56 D CB -0.137 40.595 40.800 -0.113 0.000 0.971 56 D HN 0.550 nan 8.370 nan 0.000 0.453 57 Y N 0.509 120.674 120.300 -0.226 0.000 2.543 57 Y HA 0.062 4.612 4.550 -0.000 0.000 0.249 57 Y C 2.686 178.425 175.900 -0.268 0.000 1.081 57 Y CA 0.578 58.558 58.100 -0.200 0.000 1.336 57 Y CB -1.002 37.382 38.460 -0.127 0.000 1.208 57 Y HN -0.200 nan 8.280 nan 0.000 0.502 58 T N 1.919 116.433 114.554 -0.066 0.000 2.668 58 T HA -0.298 4.051 4.350 -0.000 0.000 0.265 58 T C 1.851 176.293 174.700 -0.430 0.000 1.041 58 T CA 2.116 64.106 62.100 -0.183 0.000 1.160 58 T CB -0.787 68.039 68.868 -0.070 0.000 0.857 58 T HN 0.150 nan 8.240 nan 0.000 0.455 59 L N 0.995 121.755 121.223 -0.773 0.000 2.056 59 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 59 L C 2.573 179.108 176.870 -0.558 0.000 1.078 59 L CA 1.887 56.164 54.840 -0.938 0.000 0.749 59 L CB -0.960 40.429 42.059 -1.117 0.000 0.901 59 L HN 0.192 nan 8.230 nan 0.000 0.433 60 Q N -0.504 119.048 119.800 -0.413 0.000 2.119 60 Q HA -0.200 4.140 4.340 -0.000 0.000 0.201 60 Q C 1.694 177.563 176.000 -0.218 0.000 0.972 60 Q CA 2.022 57.648 55.803 -0.296 0.000 0.847 60 Q CB -0.205 28.370 28.738 -0.272 0.000 0.903 60 Q HN 0.553 nan 8.270 nan 0.000 0.433 61 D N -0.457 119.829 120.400 -0.190 0.000 2.178 61 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 61 D C 1.481 177.709 176.300 -0.120 0.000 0.974 61 D CA 1.019 54.948 54.000 -0.117 0.000 0.841 61 D CB 0.027 40.783 40.800 -0.073 0.000 0.953 61 D HN 0.360 nan 8.370 nan 0.000 0.478 62 I N -0.094 120.366 120.570 -0.183 0.000 2.439 62 I HA -0.169 4.000 4.170 -0.000 0.000 0.251 62 I C 1.775 177.750 176.117 -0.236 0.000 1.139 62 I CA 0.297 61.503 61.300 -0.158 0.000 1.438 62 I CB 0.067 37.977 38.000 -0.151 0.000 1.085 62 I HN -0.035 nan 8.210 nan 0.000 0.427 63 I N 0.445 120.828 120.570 -0.312 0.000 2.286 63 I HA -0.228 3.941 4.170 -0.000 0.000 0.248 63 I C 1.015 177.080 176.117 -0.086 0.000 1.115 63 I CA 0.881 61.980 61.300 -0.336 0.000 1.392 63 I CB -0.397 37.440 38.000 -0.271 0.000 1.065 63 I HN 0.221 nan 8.210 nan 0.000 0.418 64 C N 2.569 121.841 119.300 -0.046 0.000 2.192 64 C HA 0.357 4.817 4.460 -0.000 0.000 0.337 64 C C 1.058 176.069 174.990 0.036 0.000 1.103 64 C CA -0.422 58.612 59.018 0.027 0.000 1.581 64 C CB -1.930 25.814 27.740 0.007 0.000 2.070 64 C HN 0.565 nan 8.230 nan 0.000 0.485 65 E N 1.628 121.877 120.200 0.082 0.000 4.124 65 E HA 0.081 4.431 4.350 -0.000 0.000 0.177 65 E C -0.264 176.389 176.600 0.087 0.000 1.238 65 E CA -0.370 56.071 56.400 0.068 0.000 0.753 65 E CB -0.273 29.462 29.700 0.059 0.000 2.870 65 E HN 0.408 nan 8.360 nan 0.000 0.580 66 D N 2.131 122.590 120.400 0.097 0.000 2.538 66 D HA 0.030 4.670 4.640 -0.000 0.000 0.234 66 D C 1.056 177.439 176.300 0.138 0.000 1.191 66 D CA 0.492 54.548 54.000 0.093 0.000 0.828 66 D CB 0.457 41.292 40.800 0.058 0.000 0.981 66 D HN 0.242 nan 8.370 nan 0.000 0.490 67 S N -0.010 115.814 115.700 0.206 0.000 2.368 67 S HA -0.128 4.341 4.470 -0.000 0.000 0.225 67 S C 1.181 176.009 174.600 0.380 0.000 1.030 67 S CA 0.562 58.972 58.200 0.350 0.000 0.999 67 S CB -1.075 62.399 63.200 0.455 0.000 0.844 67 S HN 0.255 nan 8.310 nan 0.000 0.459 68 T N 3.040 117.736 114.554 0.235 0.000 2.928 68 T HA 0.429 4.778 4.350 -0.000 0.000 0.305 68 T C -0.153 174.623 174.700 0.126 0.000 1.035 68 T CA 0.040 62.227 62.100 0.145 0.000 1.145 68 T CB 0.392 69.317 68.868 0.094 0.000 0.963 68 T HN 0.225 nan 8.240 nan 0.000 0.545 69 L N 2.664 123.943 121.223 0.093 0.000 2.303 69 L HA 0.627 4.967 4.340 -0.000 0.000 0.266 69 L C 0.095 177.006 176.870 0.068 0.000 1.011 69 L CA -1.162 53.739 54.840 0.102 0.000 0.818 69 L CB 1.633 43.751 42.059 0.099 0.000 1.326 69 L HN 0.545 nan 8.230 nan 0.000 0.435 91 S N 3.688 119.233 115.700 -0.258 0.000 2.532 91 S HA 0.859 5.328 4.470 -0.000 0.000 0.301 91 S C -0.822 173.613 174.600 -0.275 0.000 1.083 91 S CA -0.682 57.416 58.200 -0.169 0.000 1.025 91 S CB 1.721 64.911 63.200 -0.018 0.000 1.056 91 S HN 0.228 nan 8.310 nan 0.000 0.494 92 F N 1.159 121.152 119.950 0.072 0.000 2.421 92 F HA 0.725 5.251 4.527 -0.000 0.000 0.337 92 F C 1.171 176.992 175.800 0.035 0.000 1.105 92 F CA -0.290 57.754 58.000 0.073 0.000 1.049 92 F CB 1.561 40.632 39.000 0.118 0.000 1.139 92 F HN 0.940 nan 8.300 nan 0.000 0.479 93 G N 1.580 110.487 108.800 0.178 0.000 3.392 93 G HA2 0.233 4.193 3.960 -0.000 0.000 0.188 93 G HA3 0.233 4.193 3.960 -0.000 0.000 0.188 93 G C -0.681 174.221 174.900 0.004 0.000 1.485 93 G CA -0.650 44.494 45.100 0.072 0.000 0.943 93 G HN 0.479 nan 8.290 nan 0.000 0.627 94 K N -0.087 120.267 120.400 -0.077 0.000 2.355 94 K HA 0.376 4.696 4.320 -0.000 0.000 0.270 94 K C -1.001 175.401 176.600 -0.331 0.000 1.003 94 K CA -0.144 55.992 56.287 -0.251 0.000 0.957 94 K CB 0.678 32.957 32.500 -0.369 0.000 0.939 94 K HN 0.290 nan 8.250 nan 0.000 0.482 95 I N 3.979 124.304 120.570 -0.409 0.000 2.466 95 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 95 I C -1.517 174.389 176.117 -0.352 0.000 1.026 95 I CA -0.858 60.270 61.300 -0.287 0.000 1.078 95 I CB 0.764 38.659 38.000 -0.176 0.000 1.249 95 I HN 0.588 nan 8.210 nan 0.000 0.429 96 Y N 5.594 125.921 120.300 0.045 0.000 2.387 96 Y HA 0.611 5.161 4.550 -0.000 0.000 0.330 96 Y C -0.245 175.710 175.900 0.091 0.000 1.133 96 Y CA -0.871 57.260 58.100 0.052 0.000 1.152 96 Y CB 1.807 40.310 38.460 0.072 0.000 1.215 96 Y HN 0.157 nan 8.280 nan 0.000 0.466 97 V N 2.203 122.234 119.914 0.196 0.000 2.380 97 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 97 V C -0.092 176.082 176.094 0.134 0.000 1.015 97 V CA -1.082 61.301 62.300 0.138 0.000 0.834 97 V CB 0.806 32.643 31.823 0.023 0.000 1.009 97 V HN 0.946 nan 8.190 nan 0.000 0.428 98 T N 2.098 116.772 114.554 0.200 0.000 2.698 98 T HA 0.412 4.762 4.350 -0.000 0.000 0.295 98 T C 0.023 174.741 174.700 0.031 0.000 1.007 98 T CA -0.713 61.460 62.100 0.122 0.000 0.980 98 T CB 0.825 69.817 68.868 0.207 0.000 1.036 98 T HN 0.566 nan 8.240 nan 0.000 0.526 99 K N 0.984 121.356 120.400 -0.047 0.000 2.118 99 K HA 0.338 4.658 4.320 -0.000 0.000 0.264 99 K C -2.683 173.893 176.600 -0.040 0.000 1.000 99 K CA -2.008 54.173 56.287 -0.177 0.000 0.929 99 K CB 0.199 32.388 32.500 -0.518 0.000 1.021 99 K HN 0.337 nan 8.250 nan 0.000 0.463 100 P HA -0.152 nan 4.420 nan 0.000 0.260 100 P C -0.681 176.583 177.300 -0.060 0.000 1.147 100 P CA 1.217 64.209 63.100 -0.180 0.000 0.758 100 P CB 0.311 31.657 31.700 -0.589 0.000 0.744 101 M N 1.990 121.573 119.600 -0.029 0.000 2.705 101 M HA 0.496 4.976 4.480 -0.000 0.000 0.311 101 M C -0.519 175.787 176.300 0.010 0.000 1.214 101 M CA -1.108 54.201 55.300 0.015 0.000 0.920 101 M CB 1.970 34.616 32.600 0.077 0.000 1.687 101 M HN -0.108 nan 8.290 nan 0.000 0.481 102 V N 1.788 121.724 119.914 0.037 0.000 2.409 102 V HA 0.267 4.386 4.120 -0.000 0.000 0.290 102 V C -0.853 175.273 176.094 0.054 0.000 1.017 102 V CA -0.738 61.595 62.300 0.055 0.000 0.841 102 V CB 1.361 33.242 31.823 0.097 0.000 1.003 102 V HN 0.847 nan 8.190 nan 0.000 0.426 103 N N 4.343 123.061 118.700 0.030 0.000 2.589 103 N HA 0.327 5.067 4.740 -0.000 0.000 0.232 103 N C -0.238 175.279 175.510 0.011 0.000 1.015 103 N CA -0.436 52.618 53.050 0.007 0.000 0.931 103 N CB 0.728 39.197 38.487 -0.030 0.000 1.150 103 N HN 0.868 nan 8.380 nan 0.000 0.512 104 E N 1.143 121.352 120.200 0.016 0.000 2.227 104 E HA 0.448 4.798 4.350 -0.000 0.000 0.268 104 E C -0.745 175.857 176.600 0.005 0.000 0.907 104 E CA -1.051 55.356 56.400 0.012 0.000 0.786 104 E CB 1.063 30.773 29.700 0.018 0.000 1.191 104 E HN 0.451 nan 8.360 nan 0.000 0.411 105 S N 1.757 117.459 115.700 0.004 0.000 2.584 105 S HA 0.074 4.544 4.470 -0.000 0.000 0.270 105 S C 0.147 174.747 174.600 0.001 0.000 1.346 105 S CA -0.242 57.959 58.200 0.001 0.000 1.018 105 S CB 0.254 63.456 63.200 0.004 0.000 0.899 105 S HN 0.738 nan 8.310 nan 0.000 0.542 106 D N 0.155 120.555 120.400 -0.001 0.000 2.746 106 D HA -0.060 4.580 4.640 -0.000 0.000 0.236 106 D C 0.250 176.547 176.300 -0.006 0.000 1.129 106 D CA 1.852 55.851 54.000 -0.002 0.000 0.691 106 D CB -1.461 39.339 40.800 0.000 0.000 1.077 106 D HN 1.204 nan 8.370 nan 0.000 0.432 107 G N -2.762 106.034 108.800 -0.006 0.000 2.317 107 G HA2 0.393 4.353 3.960 -0.000 0.000 0.293 107 G HA3 0.393 4.353 3.960 -0.000 0.000 0.293 107 G C -0.522 174.377 174.900 -0.003 0.000 1.287 107 G CA -0.217 44.878 45.100 -0.009 0.000 0.850 107 G HN 0.281 nan 8.290 nan 0.000 0.515 108 V N -0.015 119.899 119.914 -0.000 0.000 3.214 108 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 108 V C 0.987 177.104 176.094 0.038 0.000 1.078 108 V CA -0.264 62.046 62.300 0.016 0.000 1.077 108 V CB 1.319 33.154 31.823 0.021 0.000 1.121 108 V HN 0.809 nan 8.190 nan 0.000 0.468 109 T N 1.905 116.489 114.554 0.050 0.000 2.814 109 T HA 0.224 4.574 4.350 -0.000 0.000 0.297 109 T C -0.311 174.474 174.700 0.142 0.000 0.956 109 T CA 0.305 62.450 62.100 0.074 0.000 1.123 109 T CB -0.253 68.646 68.868 0.052 0.000 0.902 109 T HN 0.742 nan 8.240 nan 0.000 0.528 110 H N 1.707 120.791 119.070 0.023 0.000 2.499 110 H HA 0.597 5.153 4.556 -0.000 0.000 0.340 110 H C -0.342 175.004 175.328 0.030 0.000 1.148 110 H CA -1.031 55.035 56.048 0.031 0.000 1.215 110 H CB 0.981 30.761 29.762 0.031 0.000 1.529 110 H HN 0.706 nan 8.280 nan 0.000 0.510 111 A N 5.041 127.622 122.820 -0.400 0.000 2.376 111 A HA 0.312 4.632 4.320 -0.000 0.000 0.298 111 A C -0.504 176.738 177.584 -0.570 0.000 1.271 111 A CA -0.434 51.379 52.037 -0.372 0.000 0.926 111 A CB -0.780 18.083 19.000 -0.228 0.000 1.141 111 A HN 0.563 nan 8.150 nan 0.000 0.539 112 L N 3.136 124.130 121.223 -0.381 0.000 2.436 112 L HA 0.517 4.857 4.340 -0.000 0.000 0.265 112 L C -0.648 175.958 176.870 -0.440 0.000 1.168 112 L CA 0.243 54.934 54.840 -0.249 0.000 0.815 112 L CB 0.179 42.175 42.059 -0.104 0.000 1.109 112 L HN 0.620 nan 8.230 nan 0.000 0.462 113 Y N 3.509 123.750 120.300 -0.099 0.000 2.602 113 Y HA 0.433 4.983 4.550 -0.000 0.000 0.342 113 Y C -1.565 174.415 175.900 0.133 0.000 1.029 113 Y CA -1.352 56.730 58.100 -0.030 0.000 1.080 113 Y CB 1.171 39.545 38.460 -0.142 0.000 1.284 113 Y HN 0.514 nan 8.280 nan 0.000 0.485 114 P HA -0.233 nan 4.420 nan 0.000 0.215 114 P C 1.139 178.474 177.300 0.058 0.000 1.157 114 P CA 1.735 64.805 63.100 -0.049 0.000 0.868 114 P CB 0.503 32.107 31.700 -0.161 0.000 0.788 115 Q N 0.621 120.468 119.800 0.079 0.000 2.020 115 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 115 Q C 2.383 178.426 176.000 0.071 0.000 0.982 115 Q CA 1.875 57.712 55.803 0.057 0.000 0.838 115 Q CB -1.042 27.709 28.738 0.023 0.000 0.899 115 Q HN 0.277 nan 8.270 nan 0.000 0.423 116 E N -1.016 119.241 120.200 0.096 0.000 2.070 116 E HA -0.233 4.116 4.350 -0.000 0.000 0.197 116 E C 1.717 178.373 176.600 0.093 0.000 1.004 116 E CA 1.204 57.662 56.400 0.096 0.000 0.805 116 E CB -0.253 29.525 29.700 0.130 0.000 0.744 116 E HN 0.448 nan 8.360 nan 0.000 0.451 117 A N 0.811 123.707 122.820 0.126 0.000 1.972 117 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 117 A C 2.091 179.730 177.584 0.092 0.000 1.169 117 A CA 1.287 53.399 52.037 0.125 0.000 0.635 117 A CB -0.355 18.777 19.000 0.221 0.000 0.810 117 A HN 0.151 nan 8.150 nan 0.000 0.446 118 R N -0.790 119.764 120.500 0.089 0.000 2.115 118 R HA 0.097 4.437 4.340 -0.000 0.000 0.226 118 R C 1.874 178.222 176.300 0.080 0.000 1.100 118 R CA 1.038 57.188 56.100 0.083 0.000 0.980 118 R CB -0.292 30.056 30.300 0.080 0.000 0.875 118 R HN 0.503 nan 8.270 nan 0.000 0.445 119 L N -0.203 121.065 121.223 0.074 0.000 2.131 119 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 119 L C 1.927 178.858 176.870 0.102 0.000 1.087 119 L CA 1.143 56.039 54.840 0.095 0.000 0.767 119 L CB -0.125 41.980 42.059 0.076 0.000 0.917 119 L HN 0.096 nan 8.230 nan 0.000 0.441 120 R N -0.130 120.367 120.500 -0.004 0.000 2.334 120 R HA 0.128 4.468 4.340 -0.000 0.000 0.216 120 R C -0.065 175.980 176.300 -0.426 0.000 0.905 120 R CA -0.061 55.923 56.100 -0.193 0.000 1.064 120 R CB 0.003 30.236 30.300 -0.110 0.000 1.046 120 R HN 0.342 nan 8.270 nan 0.000 0.508 121 N N 1.260 119.850 118.700 -0.183 0.000 2.756 121 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 121 N C -0.771 174.682 175.510 -0.096 0.000 1.062 121 N CA 0.224 53.200 53.050 -0.124 0.000 0.696 121 N CB -0.899 37.496 38.487 -0.154 0.000 0.946 121 N HN 0.215 nan 8.380 nan 0.000 0.548 122 L N 0.110 121.316 121.223 -0.029 0.000 2.400 122 L HA 0.427 4.767 4.340 -0.000 0.000 0.264 122 L C 0.956 177.872 176.870 0.077 0.000 1.061 122 L CA -0.421 54.428 54.840 0.016 0.000 0.799 122 L CB 1.265 43.345 42.059 0.036 0.000 1.240 122 L HN -0.040 nan 8.230 nan 0.000 0.461 123 T N -0.043 114.564 114.554 0.088 0.000 2.743 123 T HA 0.168 4.518 4.350 -0.000 0.000 0.292 123 T C -0.532 174.266 174.700 0.164 0.000 0.972 123 T CA -0.138 62.039 62.100 0.127 0.000 0.967 123 T CB 0.043 68.969 68.868 0.096 0.000 0.926 123 T HN 0.245 nan 8.240 nan 0.000 0.459 124 Y N 4.953 125.304 120.300 0.086 0.000 2.644 124 Y HA 0.316 4.866 4.550 -0.000 0.000 0.354 124 Y C 0.437 176.406 175.900 0.115 0.000 1.166 124 Y CA -0.231 57.922 58.100 0.088 0.000 1.591 124 Y CB -0.489 38.018 38.460 0.078 0.000 1.346 124 Y HN 0.630 nan 8.280 nan 0.000 0.497 125 S N 2.412 118.085 115.700 -0.046 0.000 2.549 125 S HA 0.801 5.271 4.470 -0.000 0.000 0.280 125 S C -0.556 174.015 174.600 -0.047 0.000 1.109 125 S CA -0.686 57.516 58.200 0.003 0.000 0.905 125 S CB 1.497 64.741 63.200 0.073 0.000 1.081 125 S HN 0.577 nan 8.310 nan 0.000 0.477 126 S N 0.972 116.676 115.700 0.007 0.000 2.739 126 S HA 0.856 5.326 4.470 -0.000 0.000 0.306 126 S C 0.467 175.119 174.600 0.086 0.000 1.115 126 S CA -0.626 57.590 58.200 0.027 0.000 0.985 126 S CB 0.674 63.884 63.200 0.018 0.000 1.133 126 S HN 1.435 nan 8.310 nan 0.000 0.541 127 G N -0.009 108.884 108.800 0.155 0.000 2.343 127 G HA2 0.452 4.412 3.960 -0.000 0.000 0.254 127 G HA3 0.452 4.412 3.960 -0.000 0.000 0.254 127 G C -0.951 173.980 174.900 0.052 0.000 1.277 127 G CA -0.342 44.858 45.100 0.167 0.000 0.909 127 G HN 0.621 nan 8.290 nan 0.000 0.502 128 L N 3.690 124.764 121.223 -0.249 0.000 2.356 128 L HA 0.536 4.876 4.340 -0.000 0.000 0.264 128 L C -1.001 175.697 176.870 -0.287 0.000 1.029 128 L CA -0.752 53.976 54.840 -0.187 0.000 0.897 128 L CB 0.028 41.979 42.059 -0.180 0.000 1.256 128 L HN 0.361 nan 8.230 nan 0.000 0.444 129 F N 2.904 122.911 119.950 0.095 0.000 2.399 129 F HA 0.635 5.162 4.527 -0.000 0.000 0.334 129 F C 0.398 176.309 175.800 0.186 0.000 1.097 129 F CA -0.527 57.574 58.000 0.169 0.000 1.076 129 F CB 1.445 40.583 39.000 0.230 0.000 1.162 129 F HN 0.009 nan 8.300 nan 0.000 0.495 130 V N 1.095 121.220 119.914 0.353 0.000 3.019 130 V HA 0.313 4.433 4.120 -0.000 0.000 0.317 130 V C -0.776 175.513 176.094 0.324 0.000 1.094 130 V CA -0.929 61.544 62.300 0.288 0.000 1.000 130 V CB 2.140 34.139 31.823 0.293 0.000 1.060 130 V HN 0.621 nan 8.190 nan 0.000 0.443 131 D N 1.710 122.265 120.400 0.258 0.000 2.477 131 D HA 0.336 4.976 4.640 -0.000 0.000 0.239 131 D C -0.956 175.427 176.300 0.139 0.000 1.102 131 D CA -0.015 54.114 54.000 0.215 0.000 0.901 131 D CB 1.503 42.422 40.800 0.198 0.000 1.026 131 D HN 0.253 nan 8.370 nan 0.000 0.515 132 V N 4.047 124.021 119.914 0.100 0.000 2.406 132 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 132 V C 0.628 176.681 176.094 -0.067 0.000 1.043 132 V CA -0.492 61.779 62.300 -0.048 0.000 0.915 132 V CB 1.248 33.024 31.823 -0.078 0.000 0.988 132 V HN 0.212 nan 8.190 nan 0.000 0.466 133 K N 5.208 125.540 120.400 -0.114 0.000 2.118 133 K HA 0.590 4.909 4.320 -0.000 0.000 0.267 133 K C -0.124 176.416 176.600 -0.100 0.000 0.991 133 K CA -0.695 55.546 56.287 -0.077 0.000 0.916 133 K CB 1.338 33.805 32.500 -0.055 0.000 1.041 133 K HN 0.784 nan 8.250 nan 0.000 0.455 165 V N 2.945 123.065 119.914 0.343 0.000 2.495 165 V HA 0.420 4.540 4.120 -0.000 0.000 0.298 165 V C -0.625 175.702 176.094 0.388 0.000 1.031 165 V CA -0.776 61.727 62.300 0.338 0.000 0.871 165 V CB 1.253 33.226 31.823 0.249 0.000 0.988 165 V HN 0.241 nan 8.190 nan 0.000 0.432 166 F N 6.154 126.201 119.950 0.161 0.000 2.427 166 F HA 0.621 5.148 4.527 -0.000 0.000 0.352 166 F C -0.087 175.675 175.800 -0.063 0.000 1.100 166 F CA -0.332 57.592 58.000 -0.127 0.000 1.191 166 F CB 0.458 39.364 39.000 -0.157 0.000 1.128 166 F HN 0.340 nan 8.300 nan 0.000 0.533 167 I N 6.893 126.952 120.570 -0.851 0.000 2.542 167 I HA 0.399 4.569 4.170 -0.000 0.000 0.278 167 I C 0.292 175.928 176.117 -0.803 0.000 1.069 167 I CA -0.436 60.496 61.300 -0.614 0.000 1.100 167 I CB 0.869 38.764 38.000 -0.176 0.000 1.204 167 I HN 0.960 nan 8.210 nan 0.000 0.470 168 G N 5.710 113.972 108.800 -0.897 0.000 2.749 168 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 168 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 168 G C -0.501 174.178 174.900 -0.369 0.000 1.364 168 G CA -0.579 44.250 45.100 -0.452 0.000 0.888 168 G HN 0.638 nan 8.290 nan 0.000 0.566 169 R N -1.168 119.288 120.500 -0.073 0.000 2.575 169 R HA 0.531 4.871 4.340 -0.000 0.000 0.293 169 R C -1.043 175.296 176.300 0.065 0.000 0.983 169 R CA -0.959 55.152 56.100 0.018 0.000 0.887 169 R CB 1.996 32.350 30.300 0.090 0.000 1.184 169 R HN 0.558 nan 8.270 nan 0.000 0.445 170 L N 5.056 126.334 121.223 0.092 0.000 2.283 170 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 170 L C -2.363 174.629 176.870 0.203 0.000 1.033 170 L CA -2.105 52.830 54.840 0.159 0.000 0.848 170 L CB 1.001 43.165 42.059 0.174 0.000 1.226 170 L HN 0.408 nan 8.230 nan 0.000 0.429 171 P HA 0.025 nan 4.420 nan 0.000 0.260 171 P C -0.396 177.161 177.300 0.429 0.000 1.185 171 P CA 0.632 63.864 63.100 0.220 0.000 0.763 171 P CB 0.352 32.085 31.700 0.056 0.000 0.776 172 I N 3.687 124.542 120.570 0.475 0.000 2.428 172 I HA 0.289 4.459 4.170 -0.000 0.000 0.296 172 I C 1.223 177.384 176.117 0.074 0.000 0.985 172 I CA -1.016 60.542 61.300 0.430 0.000 1.260 172 I CB 1.209 39.464 38.000 0.425 0.000 1.389 172 I HN 0.250 nan 8.210 nan 0.000 0.484 173 M N 6.175 125.361 119.600 -0.690 0.000 2.227 173 M HA 0.143 4.623 4.480 -0.000 0.000 0.349 173 M C -0.444 175.500 176.300 -0.593 0.000 1.443 173 M CA -0.599 54.033 55.300 -1.113 0.000 1.110 173 M CB 0.474 32.225 32.600 -1.416 0.000 1.773 173 M HN 0.407 nan 8.290 nan 0.000 0.463 174 L N 6.154 126.931 121.223 -0.745 0.000 2.717 174 L HA -0.017 4.323 4.340 -0.000 0.000 0.281 174 L C 0.562 177.180 176.870 -0.421 0.000 1.329 174 L CA 1.194 55.633 54.840 -0.668 0.000 1.202 174 L CB -1.088 40.302 42.059 -1.116 0.000 1.425 174 L HN 0.959 nan 8.230 nan 0.000 0.438 175 R N -1.078 119.289 120.500 -0.223 0.000 2.416 175 R HA -0.081 4.259 4.340 -0.000 0.000 0.154 175 R C 0.584 176.865 176.300 -0.032 0.000 0.476 175 R CA 0.734 56.768 56.100 -0.110 0.000 1.010 175 R CB -0.984 29.243 30.300 -0.122 0.000 1.046 175 R HN 0.595 nan 8.270 nan 0.000 0.559 176 S N 0.151 115.857 115.700 0.009 0.000 2.641 176 S HA 0.082 4.552 4.470 -0.000 0.000 0.251 176 S C 1.114 175.773 174.600 0.098 0.000 1.332 176 S CA 0.124 58.400 58.200 0.127 0.000 0.968 176 S CB 0.635 64.063 63.200 0.380 0.000 0.987 176 S HN 0.303 nan 8.310 nan 0.000 0.587 177 K N 0.451 120.911 120.400 0.100 0.000 2.281 177 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 177 K C 1.618 178.229 176.600 0.017 0.000 1.046 177 K CA 1.748 58.061 56.287 0.044 0.000 0.938 177 K CB -0.472 32.044 32.500 0.026 0.000 0.737 177 K HN 0.547 nan 8.250 nan 0.000 0.458 178 N N 0.092 118.826 118.700 0.057 0.000 2.336 178 N HA -0.038 4.702 4.740 -0.000 0.000 0.177 178 N C 0.457 175.930 175.510 -0.061 0.000 1.018 178 N CA 0.217 53.267 53.050 -0.001 0.000 0.878 178 N CB 0.049 38.584 38.487 0.079 0.000 0.997 178 N HN 0.111 nan 8.380 nan 0.000 0.433 179 C N 1.211 120.558 119.300 0.078 0.000 2.642 179 C HA -0.017 4.443 4.460 -0.000 0.000 0.420 179 C C 1.462 176.501 174.990 0.082 0.000 1.349 179 C CA -0.505 58.622 59.018 0.181 0.000 1.821 179 C CB -0.993 26.845 27.740 0.162 0.000 2.637 179 C HN 0.487 nan 8.230 nan 0.000 0.605 180 Y N 3.510 123.855 120.300 0.075 0.000 2.333 180 Y HA -0.068 4.482 4.550 -0.000 0.000 0.290 180 Y C 2.020 177.961 175.900 0.068 0.000 1.144 180 Y CA 1.397 59.521 58.100 0.041 0.000 1.228 180 Y CB -0.572 37.876 38.460 -0.021 0.000 0.985 180 Y HN 0.643 nan 8.280 nan 0.000 0.542 181 L N -0.518 120.834 121.223 0.215 0.000 2.291 181 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 181 L C 2.480 179.384 176.870 0.057 0.000 1.120 181 L CA 1.123 56.029 54.840 0.111 0.000 0.799 181 L CB -0.911 41.175 42.059 0.044 0.000 0.925 181 L HN 0.268 nan 8.230 nan 0.000 0.446 182 S N 0.289 116.016 115.700 0.046 0.000 2.387 182 S HA -0.251 4.219 4.470 -0.000 0.000 0.230 182 S C 1.644 176.259 174.600 0.023 0.000 1.035 182 S CA 1.715 59.929 58.200 0.022 0.000 1.014 182 S CB -0.275 62.935 63.200 0.018 0.000 0.836 182 S HN 0.596 nan 8.310 nan 0.000 0.466 183 E N 1.177 121.398 120.200 0.036 0.000 2.413 183 E HA 0.463 4.813 4.350 -0.000 0.000 0.203 183 E C 0.847 177.473 176.600 0.044 0.000 0.957 183 E CA 0.195 56.615 56.400 0.034 0.000 0.950 183 E CB 0.142 29.861 29.700 0.031 0.000 0.957 183 E HN 0.626 nan 8.360 nan 0.000 0.497 184 A N 2.106 124.964 122.820 0.063 0.000 2.555 184 A HA 0.096 4.416 4.320 -0.000 0.000 0.233 184 A C 0.842 178.444 177.584 0.029 0.000 1.060 184 A CA 0.435 52.510 52.037 0.062 0.000 0.759 184 A CB -0.111 18.939 19.000 0.082 0.000 0.995 184 A HN 0.226 nan 8.150 nan 0.000 0.506 185 T N -0.550 114.020 114.554 0.028 0.000 2.833 185 T HA 0.324 4.673 4.350 -0.000 0.000 0.292 185 T C 1.024 175.726 174.700 0.003 0.000 1.031 185 T CA 0.435 62.544 62.100 0.014 0.000 0.937 185 T CB 0.614 69.495 68.868 0.022 0.000 1.256 185 T HN 0.695 nan 8.240 nan 0.000 0.551 186 E N 0.183 120.386 120.200 0.006 0.000 2.017 186 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 186 E C 2.408 179.081 176.600 0.122 0.000 0.997 186 E CA 1.617 58.028 56.400 0.018 0.000 0.804 186 E CB -0.294 29.430 29.700 0.040 0.000 0.757 186 E HN 0.789 nan 8.360 nan 0.000 0.448 187 S N 0.699 116.476 115.700 0.129 0.000 2.419 187 S HA -0.194 4.276 4.470 -0.000 0.000 0.235 187 S C 1.547 176.217 174.600 0.116 0.000 1.019 187 S CA 1.382 59.670 58.200 0.147 0.000 0.982 187 S CB -0.247 62.990 63.200 0.062 0.000 0.789 187 S HN 0.217 nan 8.310 nan 0.000 0.490 188 D N 1.865 122.305 120.400 0.067 0.000 2.097 188 D HA 0.027 4.667 4.640 -0.000 0.000 0.197 188 D C 2.016 178.331 176.300 0.025 0.000 0.984 188 D CA 0.994 55.020 54.000 0.043 0.000 0.826 188 D CB -0.383 40.444 40.800 0.045 0.000 0.973 188 D HN 0.367 nan 8.370 nan 0.000 0.460 189 L N -0.137 121.082 121.223 -0.007 0.000 1.989 189 L HA -0.235 4.104 4.340 -0.000 0.000 0.211 189 L C 2.551 179.364 176.870 -0.096 0.000 1.071 189 L CA 1.256 56.045 54.840 -0.084 0.000 0.749 189 L CB -0.667 41.280 42.059 -0.186 0.000 0.890 189 L HN 0.111 nan 8.230 nan 0.000 0.431 190 Y N 0.238 120.514 120.300 -0.041 0.000 2.241 190 Y HA -0.289 4.261 4.550 -0.000 0.000 0.286 190 Y C 2.560 178.424 175.900 -0.059 0.000 1.166 190 Y CA 1.391 59.462 58.100 -0.049 0.000 1.203 190 Y CB -0.250 38.181 38.460 -0.048 0.000 0.977 190 Y HN 0.117 nan 8.280 nan 0.000 0.529 191 K N -0.114 120.336 120.400 0.084 0.000 2.296 191 K HA -0.021 4.299 4.320 -0.000 0.000 0.200 191 K C 1.230 177.787 176.600 -0.071 0.000 1.048 191 K CA 0.802 57.089 56.287 0.001 0.000 0.966 191 K CB -0.066 32.427 32.500 -0.012 0.000 0.754 191 K HN 0.337 nan 8.250 nan 0.000 0.466 192 L N 0.573 121.745 121.223 -0.084 0.000 2.611 192 L HA 0.128 4.468 4.340 -0.000 0.000 0.229 192 L C -0.199 176.618 176.870 -0.088 0.000 1.137 192 L CA -0.010 54.740 54.840 -0.150 0.000 0.901 192 L CB -0.254 41.735 42.059 -0.117 0.000 1.098 192 L HN 0.059 nan 8.230 nan 0.000 0.456 193 K N 0.419 120.784 120.400 -0.058 0.000 3.117 193 K HA -0.164 4.156 4.320 -0.000 0.000 0.269 193 K C -0.104 176.463 176.600 -0.054 0.000 1.098 193 K CA 0.523 56.782 56.287 -0.047 0.000 0.785 193 K CB -1.138 31.333 32.500 -0.048 0.000 1.242 193 K HN 0.217 nan 8.250 nan 0.000 0.491 194 E N 0.656 120.810 120.200 -0.076 0.000 2.199 194 E HA 0.153 4.503 4.350 -0.000 0.000 0.265 194 E C -0.625 175.882 176.600 -0.156 0.000 0.882 194 E CA -0.678 55.674 56.400 -0.078 0.000 0.759 194 E CB 1.716 31.388 29.700 -0.046 0.000 1.148 194 E HN 0.304 nan 8.360 nan 0.000 0.412 195 C N 6.649 125.881 119.300 -0.113 0.000 2.633 195 C HA 0.095 4.555 4.460 -0.000 0.000 0.415 195 C C -0.835 174.050 174.990 -0.175 0.000 1.393 195 C CA -1.268 57.668 59.018 -0.136 0.000 1.700 195 C CB -0.118 27.616 27.740 -0.012 0.000 2.541 195 C HN 0.570 nan 8.230 nan 0.000 0.603 196 P HA -0.099 nan 4.420 nan 0.000 0.222 196 P C 1.106 178.223 177.300 -0.303 0.000 1.147 196 P CA 1.638 64.511 63.100 -0.378 0.000 0.790 196 P CB -0.081 31.281 31.700 -0.564 0.000 0.780 197 F N 0.274 120.149 119.950 -0.125 0.000 2.558 197 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 197 F C 1.093 176.955 175.800 0.104 0.000 1.119 197 F CA 0.220 58.180 58.000 -0.067 0.000 1.451 197 F CB -0.854 38.000 39.000 -0.243 0.000 1.091 197 F HN -0.100 nan 8.300 nan 0.000 0.563 198 D N 1.317 121.851 120.400 0.224 0.000 2.451 198 D HA -0.070 4.570 4.640 -0.000 0.000 0.254 198 D C 1.633 178.036 176.300 0.172 0.000 1.204 198 D CA -0.080 54.054 54.000 0.224 0.000 0.896 198 D CB 0.629 41.516 40.800 0.145 0.000 1.136 198 D HN 0.016 nan 8.370 nan 0.000 0.499 199 M N 3.112 122.828 119.600 0.194 0.000 2.200 199 M HA 0.148 4.628 4.480 -0.000 0.000 0.265 199 M C 0.972 177.315 176.300 0.070 0.000 1.066 199 M CA 1.303 56.671 55.300 0.113 0.000 1.127 199 M CB -1.637 31.007 32.600 0.074 0.000 1.379 199 M HN 0.388 nan 8.290 nan 0.000 0.420 200 G N 0.526 109.419 108.800 0.155 0.000 3.129 200 G HA2 0.065 4.025 3.960 -0.000 0.000 0.304 200 G HA3 0.065 4.025 3.960 -0.000 0.000 0.304 200 G C 0.311 175.171 174.900 -0.066 0.000 0.679 200 G CA 0.184 45.321 45.100 0.061 0.000 0.812 200 G HN 1.197 nan 8.290 nan 0.000 0.409 201 G N 1.777 110.580 108.800 0.005 0.000 4.765 201 G HA2 0.643 4.603 3.960 -0.000 0.000 0.276 201 G HA3 0.643 4.603 3.960 -0.000 0.000 0.276 201 G C 0.084 174.830 174.900 -0.257 0.000 0.986 201 G CA 0.586 45.596 45.100 -0.150 0.000 0.755 201 G HN 1.577 nan 8.290 nan 0.000 0.391 202 Y N -1.526 118.515 120.300 -0.431 0.000 2.773 202 Y HA 0.867 5.417 4.550 -0.000 0.000 0.323 202 Y C -0.852 174.635 175.900 -0.689 0.000 1.183 202 Y CA -2.344 55.475 58.100 -0.468 0.000 1.144 202 Y CB 1.124 39.466 38.460 -0.196 0.000 1.340 202 Y HN -0.141 nan 8.280 nan 0.000 0.531 203 F N 0.377 120.344 119.950 0.028 0.000 2.541 203 F HA 0.666 5.193 4.527 -0.000 0.000 0.331 203 F C -0.521 175.350 175.800 0.118 0.000 1.057 203 F CA -1.167 56.815 58.000 -0.030 0.000 0.975 203 F CB 1.800 40.801 39.000 0.000 0.000 1.246 203 F HN 0.227 nan 8.300 nan 0.000 0.484 204 I N 3.193 123.937 120.570 0.289 0.000 2.411 204 I HA 0.392 4.562 4.170 -0.000 0.000 0.284 204 I C -1.310 174.942 176.117 0.224 0.000 1.012 204 I CA -0.352 61.090 61.300 0.236 0.000 1.119 204 I CB 1.258 39.352 38.000 0.158 0.000 1.261 204 I HN 0.312 nan 8.210 nan 0.000 0.448 205 I N 6.084 126.762 120.570 0.181 0.000 2.466 205 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 205 I C 0.360 176.540 176.117 0.106 0.000 1.026 205 I CA -0.328 61.052 61.300 0.133 0.000 1.078 205 I CB 1.452 39.515 38.000 0.106 0.000 1.249 205 I HN 0.445 nan 8.210 nan 0.000 0.429 206 N N 4.827 123.579 118.700 0.087 0.000 2.696 206 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 206 N C 1.171 176.727 175.510 0.077 0.000 1.090 206 N CA 1.372 54.464 53.050 0.070 0.000 0.716 206 N CB -0.975 37.557 38.487 0.076 0.000 1.020 206 N HN 1.204 nan 8.380 nan 0.000 0.548 207 G N -1.636 107.215 108.800 0.085 0.000 2.212 207 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.266 207 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.266 207 G C 0.127 175.084 174.900 0.095 0.000 0.978 207 G CA 0.979 46.133 45.100 0.090 0.000 0.632 207 G HN 1.325 nan 8.290 nan 0.000 0.537 208 S N 0.109 115.865 115.700 0.094 0.000 2.480 208 S HA 0.633 5.103 4.470 -0.000 0.000 0.286 208 S C -0.161 174.499 174.600 0.101 0.000 1.180 208 S CA -0.505 57.741 58.200 0.076 0.000 1.075 208 S CB 1.814 65.050 63.200 0.060 0.000 0.996 208 S HN 0.414 nan 8.310 nan 0.000 0.487 209 E N 2.796 123.039 120.200 0.072 0.000 2.257 209 E HA 0.254 4.604 4.350 -0.000 0.000 0.278 209 E C -0.358 176.299 176.600 0.094 0.000 1.049 209 E CA -0.430 56.034 56.400 0.106 0.000 0.876 209 E CB 0.533 30.164 29.700 -0.115 0.000 1.035 209 E HN 0.422 nan 8.360 nan 0.000 0.419 210 K N 2.175 122.702 120.400 0.212 0.000 2.324 210 K HA 0.443 4.762 4.320 -0.000 0.000 0.253 210 K C -0.823 175.916 176.600 0.232 0.000 0.932 210 K CA -0.930 55.472 56.287 0.191 0.000 0.799 210 K CB 2.233 34.852 32.500 0.199 0.000 1.154 210 K HN 0.211 nan 8.250 nan 0.000 0.425 211 V N 3.640 123.621 119.914 0.111 0.000 2.417 211 V HA 0.346 4.466 4.120 -0.000 0.000 0.291 211 V C 0.232 176.323 176.094 -0.006 0.000 1.024 211 V CA -0.950 61.355 62.300 0.008 0.000 0.861 211 V CB 1.523 33.196 31.823 -0.249 0.000 0.985 211 V HN 0.565 nan 8.190 nan 0.000 0.436 212 L N 5.744 126.987 121.223 0.033 0.000 2.325 212 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 212 L C -0.086 176.703 176.870 -0.134 0.000 1.089 212 L CA -0.239 54.576 54.840 -0.042 0.000 0.836 212 L CB 0.521 42.610 42.059 0.049 0.000 1.184 212 L HN 0.460 nan 8.230 nan 0.000 0.444 213 I N 3.602 124.068 120.570 -0.173 0.000 2.471 213 I HA 0.084 4.253 4.170 -0.000 0.000 0.286 213 I C 1.013 177.037 176.117 -0.155 0.000 1.079 213 I CA -0.088 61.116 61.300 -0.160 0.000 1.398 213 I CB 1.087 39.014 38.000 -0.121 0.000 1.403 213 I HN 0.588 nan 8.210 nan 0.000 0.530 214 A N 8.219 130.968 122.820 -0.119 0.000 2.566 214 A HA 0.044 4.364 4.320 -0.000 0.000 0.245 214 A C 0.330 177.858 177.584 -0.093 0.000 1.056 214 A CA -0.064 51.913 52.037 -0.098 0.000 0.757 214 A CB -0.056 18.903 19.000 -0.069 0.000 0.979 214 A HN 0.674 nan 8.150 nan 0.000 0.508 215 Q N 1.597 121.336 119.800 -0.103 0.000 2.314 215 Q HA 0.266 4.605 4.340 -0.000 0.000 0.259 215 Q C -0.283 175.687 176.000 -0.051 0.000 0.951 215 Q CA -0.200 55.552 55.803 -0.085 0.000 0.909 215 Q CB 1.814 30.482 28.738 -0.116 0.000 1.236 215 Q HN 0.882 nan 8.270 nan 0.000 0.444 216 E N 3.105 123.291 120.200 -0.023 0.000 2.283 216 E HA 0.374 4.724 4.350 -0.000 0.000 0.278 216 E C -0.727 175.870 176.600 -0.005 0.000 1.027 216 E CA -0.444 55.956 56.400 -0.000 0.000 0.843 216 E CB 0.784 30.516 29.700 0.052 0.000 1.062 216 E HN 0.518 nan 8.360 nan 0.000 0.401 217 R N 1.627 122.117 120.500 -0.017 0.000 2.740 217 R HA 0.384 4.724 4.340 -0.000 0.000 0.273 217 R C -1.025 175.261 176.300 -0.024 0.000 0.998 217 R CA -0.925 55.167 56.100 -0.013 0.000 0.900 217 R CB 1.430 31.720 30.300 -0.017 0.000 1.223 217 R HN 0.336 nan 8.270 nan 0.000 0.466 218 S N 1.278 116.974 115.700 -0.008 0.000 2.537 218 S HA 0.291 4.761 4.470 -0.000 0.000 0.286 218 S C 0.438 175.012 174.600 -0.044 0.000 1.299 218 S CA 0.044 58.235 58.200 -0.014 0.000 1.067 218 S CB 0.043 63.255 63.200 0.020 0.000 0.864 218 S HN 0.729 nan 8.310 nan 0.000 0.494 219 A N 4.483 127.252 122.820 -0.086 0.000 2.555 219 A HA 0.475 4.795 4.320 -0.000 0.000 0.233 219 A C 0.924 178.458 177.584 -0.085 0.000 1.060 219 A CA 0.271 52.234 52.037 -0.123 0.000 0.759 219 A CB -0.320 18.553 19.000 -0.211 0.000 0.995 219 A HN 1.052 nan 8.150 nan 0.000 0.506 220 G N 0.280 109.030 108.800 -0.083 0.000 2.451 220 G HA2 0.440 4.400 3.960 -0.000 0.000 0.303 220 G HA3 0.440 4.400 3.960 -0.000 0.000 0.303 220 G C 0.056 174.902 174.900 -0.089 0.000 1.166 220 G CA -0.235 44.825 45.100 -0.068 0.000 0.884 220 G HN 1.035 nan 8.290 nan 0.000 0.514 221 N N -1.486 117.131 118.700 -0.138 0.000 2.758 221 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 221 N C -0.646 174.827 175.510 -0.060 0.000 1.076 221 N CA 0.869 53.762 53.050 -0.262 0.000 0.696 221 N CB -1.218 37.048 38.487 -0.368 0.000 0.979 221 N HN 0.558 nan 8.380 nan 0.000 0.550 222 I N -0.084 120.483 120.570 -0.005 0.000 2.499 222 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 222 I C 0.280 176.424 176.117 0.044 0.000 1.048 222 I CA -1.012 60.319 61.300 0.051 0.000 1.062 222 I CB 2.217 40.227 38.000 0.016 0.000 1.238 222 I HN -0.268 nan 8.210 nan 0.000 0.426 223 V N 6.361 126.324 119.914 0.081 0.000 2.521 223 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 223 V C -0.008 176.016 176.094 -0.117 0.000 1.034 223 V CA -0.050 62.260 62.300 0.016 0.000 1.045 223 V CB 0.690 32.532 31.823 0.032 0.000 0.974 223 V HN 0.705 nan 8.190 nan 0.000 0.480 224 Q N 3.260 122.923 119.800 -0.229 0.000 2.347 224 Q HA 0.619 4.959 4.340 -0.000 0.000 0.271 224 Q C -1.498 174.136 176.000 -0.610 0.000 1.064 224 Q CA -0.755 54.772 55.803 -0.460 0.000 0.800 224 Q CB 2.933 31.303 28.738 -0.612 0.000 1.304 224 Q HN 0.557 nan 8.270 nan 0.000 0.438 225 V N 3.123 122.716 119.914 -0.534 0.000 2.370 225 V HA 0.508 4.628 4.120 -0.000 0.000 0.283 225 V C -0.797 175.122 176.094 -0.290 0.000 1.023 225 V CA -0.423 61.672 62.300 -0.341 0.000 0.857 225 V CB 0.472 32.203 31.823 -0.154 0.000 0.985 225 V HN 0.614 nan 8.190 nan 0.000 0.443 226 F N 2.807 122.786 119.950 0.048 0.000 2.482 226 F HA 0.504 5.030 4.527 -0.000 0.000 0.331 226 F C 0.590 176.401 175.800 0.017 0.000 1.115 226 F CA -1.054 56.964 58.000 0.030 0.000 0.955 226 F CB 1.946 40.951 39.000 0.008 0.000 1.136 226 F HN 0.284 nan 8.300 nan 0.000 0.452 227 K N 3.234 123.748 120.400 0.191 0.000 2.322 227 K HA 0.214 4.534 4.320 -0.000 0.000 0.283 227 K C -0.384 176.179 176.600 -0.062 0.000 1.042 227 K CA -0.283 55.971 56.287 -0.056 0.000 0.958 227 K CB 1.270 33.730 32.500 -0.067 0.000 0.984 227 K HN 0.552 nan 8.250 nan 0.000 0.473 228 K N 1.184 121.501 120.400 -0.140 0.000 2.123 228 K HA 0.391 4.711 4.320 -0.000 0.000 0.248 228 K C -0.588 175.949 176.600 -0.105 0.000 0.969 228 K CA -0.648 55.583 56.287 -0.093 0.000 0.882 228 K CB 1.397 33.851 32.500 -0.076 0.000 1.080 228 K HN 0.688 nan 8.250 nan 0.000 0.441 229 A N 1.556 124.330 122.820 -0.076 0.000 2.547 229 A HA 0.171 4.491 4.320 -0.000 0.000 0.233 229 A C 1.122 178.669 177.584 -0.062 0.000 1.067 229 A CA 0.898 52.897 52.037 -0.063 0.000 0.763 229 A CB 0.027 18.997 19.000 -0.050 0.000 1.007 229 A HN 0.940 nan 8.150 nan 0.000 0.506 230 A N 2.516 125.306 122.820 -0.050 0.000 1.908 230 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 230 A C -0.514 177.051 177.584 -0.032 0.000 1.181 230 A CA 1.753 53.766 52.037 -0.040 0.000 0.627 230 A CB -1.426 17.557 19.000 -0.029 0.000 0.818 230 A HN 0.719 nan 8.150 nan 0.000 0.445 231 P HA 0.213 nan 4.420 nan 0.000 0.225 231 P C -0.500 176.783 177.300 -0.028 0.000 1.768 231 P CA 0.490 63.577 63.100 -0.022 0.000 0.943 231 P CB -0.119 31.570 31.700 -0.019 0.000 1.936 232 S N 1.629 117.307 115.700 -0.037 0.000 2.540 232 S HA 0.524 4.994 4.470 -0.000 0.000 0.275 232 S C -1.999 172.568 174.600 -0.055 0.000 1.123 232 S CA -1.470 56.700 58.200 -0.049 0.000 0.907 232 S CB 1.686 64.847 63.200 -0.066 0.000 1.081 232 S HN -0.075 nan 8.310 nan 0.000 0.476 233 P HA 0.126 nan 4.420 nan 0.000 0.222 233 P C -0.030 177.184 177.300 -0.144 0.000 1.153 233 P CA 0.613 63.676 63.100 -0.061 0.000 0.798 233 P CB -0.345 31.337 31.700 -0.030 0.000 0.796 234 I N -0.832 119.604 120.570 -0.224 0.000 2.359 234 I HA 0.273 4.443 4.170 -0.000 0.000 0.294 234 I C 1.511 177.542 176.117 -0.143 0.000 0.987 234 I CA -0.596 60.545 61.300 -0.266 0.000 1.225 234 I CB 1.108 38.867 38.000 -0.400 0.000 1.366 234 I HN -0.250 nan 8.210 nan 0.000 0.466 235 S N 3.200 118.846 115.700 -0.090 0.000 2.387 235 S HA 0.190 4.660 4.470 -0.000 0.000 0.221 235 S C 0.633 175.048 174.600 -0.309 0.000 1.041 235 S CA 0.484 58.599 58.200 -0.140 0.000 0.959 235 S CB -0.369 62.838 63.200 0.012 0.000 0.843 235 S HN 0.698 nan 8.310 nan 0.000 0.488 236 H N -0.495 118.567 119.070 -0.015 0.000 2.865 236 H HA 0.759 5.315 4.556 -0.000 0.000 0.372 236 H C -1.528 173.804 175.328 0.007 0.000 1.173 236 H CA -0.705 55.348 56.048 0.007 0.000 1.147 236 H CB 2.227 31.991 29.762 0.002 0.000 1.805 236 H HN 0.098 nan 8.280 nan 0.000 0.553 237 V N 0.703 120.705 119.914 0.147 0.000 2.888 237 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 237 V C -0.605 175.518 176.094 0.048 0.000 1.114 237 V CA -0.899 61.459 62.300 0.096 0.000 0.940 237 V CB 1.891 33.771 31.823 0.094 0.000 1.021 237 V HN 0.924 nan 8.190 nan 0.000 0.426 238 A N 3.388 126.223 122.820 0.026 0.000 2.291 238 A HA 0.824 5.144 4.320 -0.000 0.000 0.311 238 A C -0.422 177.164 177.584 0.002 0.000 1.224 238 A CA -0.482 51.533 52.037 -0.036 0.000 0.821 238 A CB 0.608 19.593 19.000 -0.026 0.000 1.172 238 A HN 0.842 nan 8.150 nan 0.000 0.494 239 E N 1.162 121.333 120.200 -0.047 0.000 2.207 239 E HA 0.640 4.990 4.350 -0.000 0.000 0.270 239 E C -1.347 175.265 176.600 0.021 0.000 0.927 239 E CA -0.583 55.828 56.400 0.019 0.000 0.799 239 E CB 2.748 32.480 29.700 0.053 0.000 1.172 239 E HN 0.610 nan 8.360 nan 0.000 0.404 240 I N 1.897 122.506 120.570 0.064 0.000 2.531 240 I HA 0.199 4.369 4.170 -0.000 0.000 0.283 240 I C -0.891 175.247 176.117 0.036 0.000 1.083 240 I CA -0.547 60.791 61.300 0.064 0.000 1.071 240 I CB 0.838 38.921 38.000 0.139 0.000 1.210 240 I HN 0.384 nan 8.210 nan 0.000 0.450 241 R N 5.571 126.082 120.500 0.017 0.000 2.387 241 R HA 0.208 4.548 4.340 -0.000 0.000 0.321 241 R C -0.376 175.903 176.300 -0.035 0.000 1.174 241 R CA 0.066 56.172 56.100 0.010 0.000 1.002 241 R CB 0.276 30.585 30.300 0.015 0.000 1.028 241 R HN 0.684 nan 8.270 nan 0.000 0.482 242 S N 2.544 118.230 115.700 -0.023 0.000 2.480 242 S HA 0.735 5.205 4.470 -0.000 0.000 0.286 242 S C -0.351 174.255 174.600 0.011 0.000 1.180 242 S CA -0.741 57.421 58.200 -0.062 0.000 1.075 242 S CB 2.071 65.277 63.200 0.010 0.000 0.996 242 S HN 0.630 nan 8.310 nan 0.000 0.487 243 A N 2.865 125.679 122.820 -0.009 0.000 2.530 243 A HA 0.834 5.154 4.320 -0.000 0.000 0.288 243 A C -1.335 176.280 177.584 0.051 0.000 1.172 243 A CA -1.074 50.991 52.037 0.046 0.000 0.733 243 A CB 1.019 20.036 19.000 0.028 0.000 1.320 243 A HN 0.824 nan 8.150 nan 0.000 0.419 244 L N 0.757 122.007 121.223 0.043 0.000 2.333 244 L HA 0.397 4.737 4.340 -0.000 0.000 0.280 244 L C 0.984 177.860 176.870 0.012 0.000 1.004 244 L CA -0.380 54.471 54.840 0.018 0.000 0.820 244 L CB 1.730 43.769 42.059 -0.033 0.000 1.247 244 L HN 0.999 nan 8.230 nan 0.000 0.416 245 E N 1.988 122.199 120.200 0.018 0.000 2.070 245 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 245 E C -0.246 176.361 176.600 0.011 0.000 1.004 245 E CA 1.448 57.859 56.400 0.018 0.000 0.805 245 E CB 0.143 29.858 29.700 0.026 0.000 0.744 245 E HN 0.467 nan 8.360 nan 0.000 0.451 246 K N -0.834 119.565 120.400 -0.002 0.000 2.468 246 K HA 0.497 4.817 4.320 -0.000 0.000 0.252 246 K C -0.797 175.785 176.600 -0.031 0.000 0.932 246 K CA -0.174 56.108 56.287 -0.007 0.000 0.794 246 K CB 2.392 34.888 32.500 -0.007 0.000 1.241 246 K HN 0.153 nan 8.250 nan 0.000 0.428 247 G N 1.520 110.302 108.800 -0.029 0.000 3.313 247 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.563 247 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.563 247 G C 0.261 175.087 174.900 -0.123 0.000 1.037 247 G CA 0.247 45.312 45.100 -0.057 0.000 0.848 247 G HN 0.704 nan 8.290 nan 0.000 0.416 248 S N 1.475 117.112 115.700 -0.104 0.000 1.480 248 S HA -0.342 4.128 4.470 -0.000 0.000 0.244 248 S C 1.263 175.810 174.600 -0.088 0.000 0.702 248 S CA 2.090 60.185 58.200 -0.175 0.000 1.288 248 S CB -1.349 61.536 63.200 -0.525 0.000 1.411 248 S HN 2.484 nan 8.310 nan 0.000 0.505 249 R N -0.044 120.389 120.500 -0.111 0.000 3.096 249 R HA -0.083 4.256 4.340 -0.000 0.000 0.261 249 R C -0.483 175.916 176.300 0.165 0.000 0.988 249 R CA 0.843 56.956 56.100 0.022 0.000 0.661 249 R CB -2.537 27.796 30.300 0.055 0.000 1.274 249 R HN 0.534 nan 8.270 nan 0.000 0.416 250 F N 1.491 121.468 119.950 0.045 0.000 2.484 250 F HA 0.203 4.730 4.527 -0.000 0.000 0.360 250 F C 1.504 177.332 175.800 0.046 0.000 1.101 250 F CA -0.481 57.550 58.000 0.051 0.000 1.251 250 F CB 0.658 39.688 39.000 0.051 0.000 1.132 250 F HN 0.130 nan 8.300 nan 0.000 0.570 251 I N 3.683 124.389 120.570 0.227 0.000 2.428 251 I HA 0.126 4.296 4.170 -0.000 0.000 0.279 251 I C -0.757 175.410 176.117 0.084 0.000 1.040 251 I CA -0.274 61.101 61.300 0.125 0.000 1.171 251 I CB 1.031 39.086 38.000 0.092 0.000 1.312 251 I HN 0.422 nan 8.210 nan 0.000 0.470 252 S N 2.428 118.181 115.700 0.088 0.000 2.399 252 S HA 0.345 4.815 4.470 -0.000 0.000 0.215 252 S C -0.005 174.640 174.600 0.076 0.000 1.456 252 S CA -0.746 57.500 58.200 0.077 0.000 1.199 252 S CB 0.591 63.848 63.200 0.095 0.000 1.063 252 S HN 0.454 nan 8.310 nan 0.000 0.476 253 T N 3.839 118.431 114.554 0.065 0.000 2.940 253 T HA 0.281 4.631 4.350 -0.000 0.000 0.309 253 T C -0.030 174.725 174.700 0.091 0.000 1.056 253 T CA -0.046 62.095 62.100 0.068 0.000 1.137 253 T CB 0.303 69.209 68.868 0.063 0.000 0.976 253 T HN 0.622 nan 8.240 nan 0.000 0.547 254 L N 2.405 123.690 121.223 0.103 0.000 2.334 254 L HA 0.503 4.843 4.340 -0.000 0.000 0.273 254 L C -0.678 176.272 176.870 0.132 0.000 1.013 254 L CA -0.321 54.604 54.840 0.142 0.000 0.816 254 L CB 1.803 43.964 42.059 0.169 0.000 1.278 254 L HN 0.614 nan 8.230 nan 0.000 0.431 255 Q N 3.593 123.478 119.800 0.141 0.000 2.303 255 Q HA 0.450 4.790 4.340 -0.000 0.000 0.267 255 Q C -1.435 174.649 176.000 0.139 0.000 1.011 255 Q CA -0.736 55.141 55.803 0.125 0.000 0.740 255 Q CB 2.331 31.135 28.738 0.109 0.000 1.250 255 Q HN 0.510 nan 8.270 nan 0.000 0.458 256 V N 3.534 123.527 119.914 0.132 0.000 2.389 256 V HA 0.197 4.317 4.120 -0.000 0.000 0.264 256 V C 0.082 176.250 176.094 0.124 0.000 1.049 256 V CA -0.156 62.227 62.300 0.137 0.000 0.932 256 V CB 0.433 32.333 31.823 0.128 0.000 1.011 256 V HN 0.561 nan 8.190 nan 0.000 0.475 257 K N 3.771 124.264 120.400 0.155 0.000 2.110 257 K HA 0.593 4.912 4.320 -0.000 0.000 0.263 257 K C -0.773 175.935 176.600 0.179 0.000 0.975 257 K CA -0.900 55.470 56.287 0.138 0.000 0.895 257 K CB 1.790 34.369 32.500 0.132 0.000 1.060 257 K HN 0.446 nan 8.250 nan 0.000 0.448 258 L N 3.881 125.177 121.223 0.121 0.000 2.335 258 L HA 0.296 4.636 4.340 -0.000 0.000 0.268 258 L C -1.508 175.436 176.870 0.124 0.000 1.037 258 L CA -0.366 54.564 54.840 0.150 0.000 0.895 258 L CB -0.085 42.053 42.059 0.133 0.000 1.266 258 L HN 0.422 nan 8.230 nan 0.000 0.439 259 Y N 3.677 124.017 120.300 0.067 0.000 2.526 259 Y HA 0.504 5.054 4.550 -0.000 0.000 0.330 259 Y C 1.260 177.192 175.900 0.052 0.000 1.156 259 Y CA 0.860 58.994 58.100 0.056 0.000 1.419 259 Y CB 0.823 39.313 38.460 0.051 0.000 1.250 259 Y HN 0.828 nan 8.280 nan 0.000 0.540 260 G N 3.485 112.372 108.800 0.145 0.000 3.067 260 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.686 260 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.686 260 G C -0.823 174.120 174.900 0.072 0.000 1.119 260 G CA -1.208 43.955 45.100 0.105 0.000 0.790 260 G HN 0.607 nan 8.290 nan 0.000 0.605 261 R N 1.218 121.748 120.500 0.049 0.000 2.553 261 R HA 0.386 4.726 4.340 -0.000 0.000 0.263 261 R C 0.462 176.792 176.300 0.050 0.000 1.066 261 R CA -0.829 55.295 56.100 0.040 0.000 1.135 261 R CB 0.909 31.218 30.300 0.014 0.000 1.148 261 R HN 0.677 nan 8.270 nan 0.000 0.558 262 E N 0.704 120.935 120.200 0.051 0.000 2.905 262 E HA -0.118 4.232 4.350 -0.000 0.000 0.240 262 E C 0.599 177.219 176.600 0.035 0.000 0.990 262 E CA 1.190 57.617 56.400 0.046 0.000 0.954 262 E CB -0.033 29.693 29.700 0.043 0.000 0.908 262 E HN 0.887 nan 8.360 nan 0.000 0.532 263 G N 3.029 111.850 108.800 0.034 0.000 2.157 263 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.248 263 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.248 263 G C 0.416 175.334 174.900 0.031 0.000 0.979 263 G CA 0.368 45.486 45.100 0.030 0.000 0.650 263 G HN 0.680 nan 8.290 nan 0.000 0.529 264 S N -0.074 115.648 115.700 0.036 0.000 2.606 264 S HA 0.581 5.051 4.470 -0.000 0.000 0.257 264 S C 0.749 175.372 174.600 0.038 0.000 1.327 264 S CA 0.609 58.832 58.200 0.039 0.000 0.984 264 S CB 1.203 64.433 63.200 0.048 0.000 0.941 264 S HN 1.643 nan 8.310 nan 0.000 0.576 265 S N 0.594 116.317 115.700 0.038 0.000 2.400 265 S HA 0.581 5.051 4.470 -0.000 0.000 0.295 265 S C 0.340 174.963 174.600 0.037 0.000 1.113 265 S CA -0.348 57.871 58.200 0.033 0.000 1.064 265 S CB -0.438 62.779 63.200 0.028 0.000 0.990 265 S HN 2.165 nan 8.310 nan 0.000 0.502 266 A N 2.927 125.767 122.820 0.033 0.000 1.758 266 A HA -0.161 4.159 4.320 -0.000 0.000 0.226 266 A C 0.301 177.916 177.584 0.052 0.000 1.327 266 A CA -0.130 51.927 52.037 0.033 0.000 0.681 266 A CB -1.321 17.693 19.000 0.023 0.000 1.173 266 A HN 0.853 nan 8.150 nan 0.000 0.234 267 R N 1.452 121.985 120.500 0.056 0.000 2.345 267 R HA 0.283 4.623 4.340 -0.000 0.000 0.331 267 R C 0.807 177.157 176.300 0.083 0.000 1.067 267 R CA 0.798 56.946 56.100 0.080 0.000 0.962 267 R CB 0.504 30.845 30.300 0.068 0.000 0.987 267 R HN 0.828 nan 8.270 nan 0.000 0.451 268 T N 2.722 117.345 114.554 0.115 0.000 2.928 268 T HA 0.459 4.809 4.350 -0.000 0.000 0.284 268 T C 0.179 174.969 174.700 0.150 0.000 1.008 268 T CA -0.636 61.520 62.100 0.094 0.000 1.057 268 T CB 0.706 69.592 68.868 0.029 0.000 1.018 268 T HN 0.391 nan 8.240 nan 0.000 0.493 269 I N 3.890 124.530 120.570 0.116 0.000 2.355 269 I HA 0.445 4.615 4.170 -0.000 0.000 0.288 269 I C 0.310 176.513 176.117 0.143 0.000 0.999 269 I CA -0.711 60.678 61.300 0.149 0.000 1.163 269 I CB 1.452 39.522 38.000 0.115 0.000 1.316 269 I HN 0.581 nan 8.210 nan 0.000 0.454 270 K N 4.249 124.770 120.400 0.202 0.000 2.352 270 K HA 0.922 5.242 4.320 -0.000 0.000 0.240 270 K C -1.023 175.690 176.600 0.188 0.000 1.017 270 K CA -0.900 55.486 56.287 0.165 0.000 0.851 270 K CB 2.577 35.143 32.500 0.109 0.000 1.261 270 K HN 0.599 nan 8.250 nan 0.000 0.451 271 A N 0.636 123.548 122.820 0.153 0.000 2.422 271 A HA 0.480 4.800 4.320 -0.000 0.000 0.302 271 A C -1.109 176.554 177.584 0.132 0.000 1.041 271 A CA -0.655 51.470 52.037 0.148 0.000 0.708 271 A CB 1.514 20.594 19.000 0.133 0.000 1.257 271 A HN 0.517 nan 8.150 nan 0.000 0.414 272 T N 3.363 118.000 114.554 0.138 0.000 2.738 272 T HA 0.498 4.848 4.350 -0.000 0.000 0.298 272 T C -0.054 174.719 174.700 0.121 0.000 0.962 272 T CA 0.114 62.285 62.100 0.117 0.000 0.972 272 T CB -0.252 68.682 68.868 0.109 0.000 0.928 272 T HN 0.435 nan 8.240 nan 0.000 0.474 273 L N 5.510 126.793 121.223 0.100 0.000 2.360 273 L HA 0.496 4.835 4.340 -0.000 0.000 0.271 273 L C -1.782 175.151 176.870 0.105 0.000 1.057 273 L CA -2.561 52.346 54.840 0.112 0.000 0.803 273 L CB 0.985 43.078 42.059 0.056 0.000 1.207 273 L HN 0.336 nan 8.230 nan 0.000 0.445 274 P HA 0.018 nan 4.420 nan 0.000 0.271 274 P C -0.779 176.690 177.300 0.281 0.000 1.218 274 P CA 0.075 63.279 63.100 0.173 0.000 0.780 274 P CB 0.266 32.143 31.700 0.295 0.000 0.901 275 Y N -1.486 118.821 120.300 0.011 0.000 4.538 275 Y HA -0.214 4.335 4.550 -0.000 0.000 0.225 275 Y C 0.543 176.473 175.900 0.051 0.000 1.074 275 Y CA 0.516 58.639 58.100 0.037 0.000 1.942 275 Y CB -2.342 36.152 38.460 0.057 0.000 1.618 275 Y HN 0.302 nan 8.280 nan 0.000 0.642 276 I N 0.111 120.756 120.570 0.125 0.000 2.466 276 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 276 I C 0.759 176.903 176.117 0.046 0.000 1.026 276 I CA -0.983 60.366 61.300 0.081 0.000 1.078 276 I CB 1.854 39.879 38.000 0.043 0.000 1.249 276 I HN -0.040 nan 8.210 nan 0.000 0.429 277 K N 4.797 125.219 120.400 0.036 0.000 2.546 277 K HA 0.190 4.509 4.320 -0.000 0.000 0.198 277 K C 0.094 176.706 176.600 0.020 0.000 1.028 277 K CA 0.209 56.510 56.287 0.023 0.000 1.150 277 K CB 0.309 32.821 32.500 0.019 0.000 0.876 277 K HN 0.561 nan 8.250 nan 0.000 0.508 278 Q N -0.554 119.259 119.800 0.021 0.000 2.833 278 Q HA 0.190 4.530 4.340 -0.000 0.000 0.340 278 Q C -1.630 174.395 176.000 0.042 0.000 0.800 278 Q CA -0.859 54.959 55.803 0.026 0.000 0.821 278 Q CB 1.967 30.704 28.738 -0.002 0.000 1.340 278 Q HN 0.028 nan 8.270 nan 0.000 0.515 279 D N 0.479 120.910 120.400 0.051 0.000 2.419 279 D HA 0.600 5.240 4.640 -0.000 0.000 0.234 279 D C -0.934 175.416 176.300 0.082 0.000 1.014 279 D CA -0.282 53.763 54.000 0.075 0.000 0.919 279 D CB 1.757 42.623 40.800 0.111 0.000 1.366 279 D HN 0.341 nan 8.370 nan 0.000 0.490 280 I N 1.257 121.888 120.570 0.102 0.000 2.478 280 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 280 I C -2.503 173.686 176.117 0.120 0.000 1.042 280 I CA -2.190 59.211 61.300 0.169 0.000 1.067 280 I CB 2.430 40.531 38.000 0.168 0.000 1.233 280 I HN -0.111 nan 8.210 nan 0.000 0.431 281 P HA 0.017 nan 4.420 nan 0.000 0.261 281 P C 1.237 178.586 177.300 0.081 0.000 1.173 281 P CA 0.186 63.322 63.100 0.060 0.000 0.760 281 P CB 0.373 32.074 31.700 0.001 0.000 0.783 282 I N 1.701 122.342 120.570 0.118 0.000 2.181 282 I HA -0.315 3.855 4.170 -0.000 0.000 0.247 282 I C 1.570 177.856 176.117 0.282 0.000 1.081 282 I CA 1.776 63.188 61.300 0.187 0.000 1.340 282 I CB -1.325 36.836 38.000 0.268 0.000 1.036 282 I HN 0.029 nan 8.210 nan 0.000 0.417 283 V N 1.696 121.734 119.914 0.207 0.000 2.380 283 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 283 V C 2.558 178.736 176.094 0.140 0.000 1.063 283 V CA 2.418 64.823 62.300 0.174 0.000 1.055 283 V CB -0.849 31.012 31.823 0.064 0.000 0.657 283 V HN 0.469 nan 8.190 nan 0.000 0.455 284 I N -0.426 120.184 120.570 0.066 0.000 2.286 284 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 284 I C 2.252 178.389 176.117 0.034 0.000 1.104 284 I CA 1.598 62.915 61.300 0.029 0.000 1.397 284 I CB -0.303 37.704 38.000 0.011 0.000 1.072 284 I HN 0.211 nan 8.210 nan 0.000 0.417 285 I N -0.136 120.431 120.570 -0.005 0.000 2.286 285 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 285 I C 2.353 178.374 176.117 -0.160 0.000 1.115 285 I CA 1.611 62.821 61.300 -0.150 0.000 1.392 285 I CB -0.428 37.401 38.000 -0.285 0.000 1.065 285 I HN 0.095 nan 8.210 nan 0.000 0.418 286 F N 1.204 121.122 119.950 -0.053 0.000 2.102 286 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 286 F C 2.780 178.536 175.800 -0.074 0.000 1.105 286 F CA 1.393 59.352 58.000 -0.068 0.000 1.239 286 F CB -0.238 38.721 39.000 -0.068 0.000 0.991 286 F HN -0.129 nan 8.300 nan 0.000 0.474 287 R N -0.158 120.424 120.500 0.136 0.000 2.115 287 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 287 R C 2.297 178.612 176.300 0.025 0.000 1.111 287 R CA 0.965 57.100 56.100 0.058 0.000 0.976 287 R CB -0.644 29.675 30.300 0.032 0.000 0.870 287 R HN 0.257 nan 8.270 nan 0.000 0.445 288 A N 0.977 123.800 122.820 0.005 0.000 2.015 288 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 288 A C 1.971 179.535 177.584 -0.033 0.000 1.163 288 A CA 0.949 52.972 52.037 -0.023 0.000 0.646 288 A CB -0.235 18.732 19.000 -0.055 0.000 0.806 288 A HN 0.183 nan 8.150 nan 0.000 0.448 289 L N -1.945 119.258 121.223 -0.034 0.000 2.558 289 L HA 0.205 4.545 4.340 -0.000 0.000 0.225 289 L C 1.820 178.700 176.870 0.015 0.000 1.128 289 L CA 0.681 55.513 54.840 -0.013 0.000 0.868 289 L CB 0.149 42.190 42.059 -0.030 0.000 1.006 289 L HN 0.581 nan 8.230 nan 0.000 0.454 290 G N -0.039 108.772 108.800 0.018 0.000 2.391 290 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.204 290 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.204 290 G C 0.337 175.247 174.900 0.017 0.000 1.012 290 G CA -0.504 44.607 45.100 0.018 0.000 0.651 290 G HN 0.126 nan 8.290 nan 0.000 0.494 291 I N 2.649 123.230 120.570 0.018 0.000 2.389 291 I HA 0.264 4.434 4.170 -0.000 0.000 0.295 291 I C 1.568 177.694 176.117 0.015 0.000 1.117 291 I CA -0.010 61.289 61.300 -0.003 0.000 1.317 291 I CB 0.316 38.269 38.000 -0.078 0.000 1.431 291 I HN 0.186 nan 8.210 nan 0.000 0.521 292 I N 6.972 127.545 120.570 0.006 0.000 2.499 292 I HA 0.091 4.261 4.170 -0.000 0.000 0.243 292 I C -1.452 174.662 176.117 -0.005 0.000 1.085 292 I CA -0.090 61.212 61.300 0.004 0.000 1.422 292 I CB -0.815 37.184 38.000 -0.001 0.000 1.165 292 I HN 0.383 nan 8.210 nan 0.000 0.440 293 P HA 0.011 nan 4.420 nan 0.000 0.268 293 P C -1.120 176.172 177.300 -0.013 0.000 1.205 293 P CA 0.194 63.294 63.100 -0.001 0.000 0.771 293 P CB 0.242 31.943 31.700 0.003 0.000 0.858 294 D N 1.276 121.676 120.400 0.000 0.000 2.419 294 D HA 0.187 4.826 4.640 -0.000 0.000 0.236 294 D C 1.742 178.028 176.300 -0.024 0.000 1.165 294 D CA 1.396 55.388 54.000 -0.014 0.000 0.882 294 D CB -0.111 40.699 40.800 0.016 0.000 1.201 294 D HN 0.706 nan 8.370 nan 0.000 0.443 295 G N 1.708 110.482 108.800 -0.043 0.000 2.498 295 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.229 295 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.229 295 G C 1.051 175.930 174.900 -0.034 0.000 1.156 295 G CA 0.572 45.649 45.100 -0.038 0.000 0.680 295 G HN 0.570 nan 8.290 nan 0.000 0.512 296 E N 0.392 120.579 120.200 -0.021 0.000 2.152 296 E HA 0.114 4.464 4.350 -0.000 0.000 0.192 296 E C 2.603 179.228 176.600 0.042 0.000 0.983 296 E CA 0.976 57.386 56.400 0.015 0.000 0.818 296 E CB -0.122 29.593 29.700 0.025 0.000 0.758 296 E HN 0.697 nan 8.360 nan 0.000 0.467 297 I N 0.900 121.412 120.570 -0.097 0.000 2.163 297 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 297 I C 2.096 178.041 176.117 -0.286 0.000 1.081 297 I CA 0.900 62.001 61.300 -0.332 0.000 1.353 297 I CB -0.150 37.629 38.000 -0.368 0.000 1.054 297 I HN 0.175 nan 8.210 nan 0.000 0.407 298 L N -0.019 121.109 121.223 -0.159 0.000 2.456 298 L HA -0.097 4.243 4.340 -0.000 0.000 0.224 298 L C 2.164 179.002 176.870 -0.053 0.000 1.148 298 L CA 0.882 55.657 54.840 -0.110 0.000 0.825 298 L CB -0.744 41.270 42.059 -0.074 0.000 0.937 298 L HN 0.331 nan 8.230 nan 0.000 0.450 299 E N -0.337 119.849 120.200 -0.024 0.000 2.216 299 E HA -0.132 4.217 4.350 -0.000 0.000 0.192 299 E C 1.934 178.574 176.600 0.068 0.000 0.988 299 E CA 0.516 56.925 56.400 0.015 0.000 0.834 299 E CB 0.135 29.817 29.700 -0.030 0.000 0.772 299 E HN 0.624 nan 8.360 nan 0.000 0.479 300 H N -0.295 118.766 119.070 -0.015 0.000 2.470 300 H HA 0.004 4.560 4.556 -0.000 0.000 0.289 300 H C 1.983 177.437 175.328 0.210 0.000 1.033 300 H CA 0.755 56.853 56.048 0.083 0.000 1.331 300 H CB 0.477 30.122 29.762 -0.195 0.000 1.414 300 H HN 0.167 nan 8.280 nan 0.000 0.545 301 I N 0.035 120.642 120.570 0.062 0.000 2.883 301 I HA -0.097 4.073 4.170 -0.000 0.000 0.230 301 I C 1.268 177.132 176.117 -0.422 0.000 1.052 301 I CA 0.035 61.276 61.300 -0.099 0.000 1.434 301 I CB -0.115 37.839 38.000 -0.077 0.000 1.269 301 I HN 0.050 nan 8.210 nan 0.000 0.436 302 C N 2.257 121.409 119.300 -0.246 0.000 2.624 302 C HA 0.075 4.535 4.460 -0.000 0.000 0.397 302 C C 0.735 175.675 174.990 -0.085 0.000 1.331 302 C CA -0.284 58.604 59.018 -0.217 0.000 1.716 302 C CB -1.631 26.052 27.740 -0.095 0.000 2.452 302 C HN 0.386 nan 8.230 nan 0.000 0.586 303 Y N 3.791 124.172 120.300 0.135 0.000 2.775 303 Y HA 0.312 4.862 4.550 -0.000 0.000 0.349 303 Y C 0.589 176.560 175.900 0.119 0.000 1.094 303 Y CA -0.478 57.724 58.100 0.169 0.000 1.467 303 Y CB -0.099 38.524 38.460 0.272 0.000 1.272 303 Y HN 0.721 nan 8.280 nan 0.000 0.515 304 D N -1.500 119.013 120.400 0.190 0.000 2.746 304 D HA 0.089 4.729 4.640 -0.000 0.000 0.211 304 D C 0.002 176.350 176.300 0.081 0.000 1.242 304 D CA -0.305 53.776 54.000 0.134 0.000 0.790 304 D CB 1.434 42.306 40.800 0.120 0.000 1.744 304 D HN -0.095 nan 8.370 nan 0.000 0.520 305 V N 2.872 122.823 119.914 0.062 0.000 3.129 305 V HA 0.012 4.132 4.120 -0.000 0.000 0.259 305 V C 1.684 177.820 176.094 0.070 0.000 1.116 305 V CA 0.719 63.039 62.300 0.034 0.000 1.127 305 V CB -0.367 31.443 31.823 -0.022 0.000 0.742 305 V HN 0.556 nan 8.190 nan 0.000 0.474 306 N N 0.445 119.199 118.700 0.090 0.000 2.461 306 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 306 N C 0.601 176.213 175.510 0.171 0.000 1.134 306 N CA 0.461 53.589 53.050 0.130 0.000 0.878 306 N CB -0.004 38.549 38.487 0.111 0.000 0.972 306 N HN 0.407 nan 8.380 nan 0.000 0.456 307 D N 1.349 121.809 120.400 0.099 0.000 2.767 307 D HA -0.005 4.634 4.640 -0.000 0.000 0.241 307 D C 1.541 177.828 176.300 -0.023 0.000 1.187 307 D CA -0.699 53.301 54.000 0.001 0.000 0.999 307 D CB -0.243 40.535 40.800 -0.036 0.000 1.042 307 D HN 0.233 nan 8.370 nan 0.000 0.510 308 W N 1.998 123.294 121.300 -0.008 0.000 2.342 308 W HA -0.190 4.470 4.660 -0.000 0.000 0.297 308 W C 1.169 177.678 176.519 -0.016 0.000 1.213 308 W CA 0.267 57.604 57.345 -0.014 0.000 1.251 308 W CB -0.764 28.688 29.460 -0.012 0.000 1.136 308 W HN 0.249 nan 8.180 nan 0.000 0.526 309 Q N 0.681 119.867 119.800 -1.023 0.000 2.029 309 Q HA -0.290 4.050 4.340 -0.000 0.000 0.209 309 Q C 2.445 178.218 176.000 -0.378 0.000 0.999 309 Q CA 2.833 58.077 55.803 -0.932 0.000 0.857 309 Q CB -0.684 27.515 28.738 -0.898 0.000 0.926 309 Q HN 0.434 nan 8.270 nan 0.000 0.415 310 M N 0.243 119.678 119.600 -0.275 0.000 2.099 310 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 310 M C 2.080 178.320 176.300 -0.100 0.000 1.067 310 M CA 1.192 56.392 55.300 -0.165 0.000 1.124 310 M CB -0.008 32.504 32.600 -0.146 0.000 1.353 310 M HN 0.191 nan 8.290 nan 0.000 0.410 311 L N 0.146 121.329 121.223 -0.066 0.000 2.187 311 L HA -0.227 4.112 4.340 -0.000 0.000 0.213 311 L C 2.358 179.230 176.870 0.004 0.000 1.100 311 L CA 1.186 56.016 54.840 -0.017 0.000 0.765 311 L CB -0.673 41.401 42.059 0.025 0.000 0.904 311 L HN 0.366 nan 8.230 nan 0.000 0.437 312 E N 0.333 120.543 120.200 0.016 0.000 2.072 312 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 312 E C 2.241 178.844 176.600 0.005 0.000 0.985 312 E CA 1.368 57.795 56.400 0.044 0.000 0.801 312 E CB -0.083 29.677 29.700 0.099 0.000 0.750 312 E HN 0.280 nan 8.360 nan 0.000 0.452 313 M N -0.255 119.328 119.600 -0.029 0.000 2.279 313 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 313 M C 1.947 178.238 176.300 -0.016 0.000 1.062 313 M CA 1.012 56.295 55.300 -0.028 0.000 1.099 313 M CB -0.232 32.335 32.600 -0.055 0.000 1.394 313 M HN 0.183 nan 8.290 nan 0.000 0.426 314 L N -0.562 120.649 121.223 -0.021 0.000 2.395 314 L HA -0.134 4.206 4.340 -0.000 0.000 0.218 314 L C 2.331 179.195 176.870 -0.009 0.000 1.130 314 L CA 0.548 55.379 54.840 -0.015 0.000 0.826 314 L CB -0.413 41.630 42.059 -0.028 0.000 0.941 314 L HN 0.234 nan 8.230 nan 0.000 0.451 315 K N 0.495 120.891 120.400 -0.007 0.000 2.059 315 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 315 K C -0.544 176.047 176.600 -0.015 0.000 1.050 315 K CA 1.843 58.122 56.287 -0.012 0.000 0.927 315 K CB -1.046 31.451 32.500 -0.006 0.000 0.714 315 K HN 0.312 nan 8.250 nan 0.000 0.447 316 P HA -0.043 nan 4.420 nan 0.000 0.229 316 P C 0.982 178.284 177.300 0.003 0.000 1.160 316 P CA 0.944 64.042 63.100 -0.003 0.000 0.777 316 P CB -0.072 31.634 31.700 0.009 0.000 0.814 317 C N -0.204 119.102 119.300 0.009 0.000 2.436 317 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 317 C C 2.906 177.905 174.990 0.014 0.000 1.241 317 C CA 0.542 59.571 59.018 0.018 0.000 1.721 317 C CB -1.605 26.151 27.740 0.027 0.000 2.043 317 C HN 0.101 nan 8.230 nan 0.000 0.472 318 V N 1.542 121.461 119.914 0.009 0.000 2.380 318 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 318 V C 2.568 178.686 176.094 0.039 0.000 1.063 318 V CA 1.983 64.297 62.300 0.022 0.000 1.055 318 V CB -0.757 31.068 31.823 0.002 0.000 0.657 318 V HN 0.578 nan 8.190 nan 0.000 0.455 319 E N -0.187 120.014 120.200 0.001 0.000 2.085 319 E HA -0.246 4.103 4.350 -0.000 0.000 0.194 319 E C 1.992 178.611 176.600 0.032 0.000 0.994 319 E CA 1.591 57.989 56.400 -0.004 0.000 0.801 319 E CB -0.338 29.345 29.700 -0.028 0.000 0.743 319 E HN 0.613 nan 8.360 nan 0.000 0.453 320 D N -0.008 120.394 120.400 0.004 0.000 2.084 320 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 320 D C 1.961 178.227 176.300 -0.057 0.000 0.990 320 D CA 1.597 55.577 54.000 -0.033 0.000 0.826 320 D CB -0.596 40.173 40.800 -0.052 0.000 0.971 320 D HN 0.286 nan 8.370 nan 0.000 0.453 321 G N -0.662 108.119 108.800 -0.033 0.000 2.534 321 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.217 321 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.217 321 G C 1.265 176.161 174.900 -0.007 0.000 1.128 321 G CA -0.203 44.861 45.100 -0.061 0.000 0.784 321 G HN 0.234 nan 8.290 nan 0.000 0.542 322 F N 1.485 121.386 119.950 -0.082 0.000 2.529 322 F HA -0.057 4.469 4.527 -0.000 0.000 0.297 322 F C 2.092 177.852 175.800 -0.067 0.000 1.114 322 F CA 0.513 58.475 58.000 -0.062 0.000 1.467 322 F CB 0.294 39.266 39.000 -0.047 0.000 1.096 322 F HN 0.013 nan 8.300 nan 0.000 0.586 323 V N 0.409 120.260 119.914 -0.105 0.000 3.041 323 V HA -0.041 4.079 4.120 -0.000 0.000 0.260 323 V C 0.691 176.670 176.094 -0.192 0.000 1.105 323 V CA 0.926 63.130 62.300 -0.161 0.000 1.125 323 V CB -0.591 31.145 31.823 -0.144 0.000 0.730 323 V HN 0.097 nan 8.190 nan 0.000 0.479 324 I N -0.400 120.056 120.570 -0.191 0.000 2.534 324 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 324 I C 0.129 176.168 176.117 -0.130 0.000 1.077 324 I CA -0.120 61.094 61.300 -0.144 0.000 1.051 324 I CB 2.241 40.164 38.000 -0.128 0.000 1.234 324 I HN -0.155 nan 8.210 nan 0.000 0.425 325 Q N 3.932 123.663 119.800 -0.115 0.000 2.149 325 Q HA 0.200 4.540 4.340 -0.000 0.000 0.221 325 Q C -1.127 174.839 176.000 -0.056 0.000 0.807 325 Q CA 0.013 55.755 55.803 -0.102 0.000 1.000 325 Q CB 0.611 29.264 28.738 -0.141 0.000 1.157 325 Q HN 0.717 nan 8.270 nan 0.000 0.487 326 D N -2.542 117.834 120.400 -0.039 0.000 2.609 326 D HA 0.135 4.775 4.640 -0.000 0.000 0.239 326 D C 0.063 176.359 176.300 -0.006 0.000 1.229 326 D CA -0.655 53.333 54.000 -0.020 0.000 0.808 326 D CB 0.693 41.481 40.800 -0.020 0.000 1.448 326 D HN -0.000 nan 8.370 nan 0.000 0.433 327 R N 0.432 120.932 120.500 -0.000 0.000 2.127 327 R HA -0.155 4.184 4.340 -0.000 0.000 0.238 327 R C 1.416 177.721 176.300 0.009 0.000 1.134 327 R CA 1.809 57.912 56.100 0.006 0.000 0.975 327 R CB 0.110 30.414 30.300 0.007 0.000 0.865 327 R HN 0.542 nan 8.270 nan 0.000 0.447 328 E N -1.037 119.168 120.200 0.008 0.000 2.047 328 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 328 E C 1.821 178.434 176.600 0.021 0.000 0.987 328 E CA 1.762 58.170 56.400 0.013 0.000 0.799 328 E CB 0.027 29.733 29.700 0.009 0.000 0.752 328 E HN 0.356 nan 8.360 nan 0.000 0.449 329 T N 0.850 115.416 114.554 0.020 0.000 2.904 329 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 329 T C 1.939 176.680 174.700 0.069 0.000 1.059 329 T CA 0.977 63.099 62.100 0.037 0.000 1.137 329 T CB -0.070 68.806 68.868 0.015 0.000 0.879 329 T HN 0.199 nan 8.240 nan 0.000 0.467 330 A N 1.403 124.251 122.820 0.047 0.000 1.929 330 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 330 A C 2.096 179.723 177.584 0.071 0.000 1.176 330 A CA 0.891 52.967 52.037 0.065 0.000 0.628 330 A CB -0.635 18.382 19.000 0.028 0.000 0.816 330 A HN 0.314 nan 8.150 nan 0.000 0.444 331 L N 0.243 121.487 121.223 0.036 0.000 2.131 331 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 331 L C 1.930 178.819 176.870 0.033 0.000 1.092 331 L CA 2.283 57.133 54.840 0.018 0.000 0.759 331 L CB -1.047 41.018 42.059 0.010 0.000 0.903 331 L HN 0.542 nan 8.230 nan 0.000 0.435 332 D N -1.646 118.788 120.400 0.057 0.000 2.249 332 D HA -0.207 4.433 4.640 -0.000 0.000 0.205 332 D C 2.039 178.387 176.300 0.079 0.000 0.962 332 D CA 0.242 54.276 54.000 0.056 0.000 0.860 332 D CB -0.025 40.807 40.800 0.054 0.000 0.955 332 D HN 0.199 nan 8.370 nan 0.000 0.505 333 F N 1.119 121.061 119.950 -0.013 0.000 2.408 333 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 333 F C 1.593 177.388 175.800 -0.008 0.000 1.090 333 F CA 0.915 58.908 58.000 -0.011 0.000 1.427 333 F CB -0.117 38.874 39.000 -0.016 0.000 1.070 333 F HN 0.030 nan 8.300 nan 0.000 0.549 334 I N 0.107 120.590 120.570 -0.145 0.000 2.546 334 I HA -0.027 4.143 4.170 -0.000 0.000 0.255 334 I C 1.959 177.972 176.117 -0.173 0.000 1.163 334 I CA 0.844 62.023 61.300 -0.202 0.000 1.457 334 I CB -1.646 36.303 38.000 -0.086 0.000 1.092 334 I HN 0.244 nan 8.210 nan 0.000 0.434 335 G N 2.112 110.849 108.800 -0.106 0.000 2.422 335 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.301 335 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.301 335 G C 1.044 175.943 174.900 -0.002 0.000 0.981 335 G CA 1.579 46.646 45.100 -0.055 0.000 0.994 335 G HN 0.732 nan 8.290 nan 0.000 0.514 336 R N -2.167 118.367 120.500 0.057 0.000 3.596 336 R HA 0.174 4.514 4.340 -0.000 0.000 0.259 336 R C 2.277 178.680 176.300 0.172 0.000 0.674 336 R CA 5.006 61.237 56.100 0.218 0.000 1.213 336 R CB -1.713 28.762 30.300 0.292 0.000 0.823 336 R HN 3.154 nan 8.270 nan 0.000 0.604 337 R N -3.409 117.185 120.500 0.156 0.000 3.532 337 R HA 0.393 4.733 4.340 -0.000 0.000 0.030 337 R C 2.217 178.577 176.300 0.100 0.000 0.893 337 R CA 1.217 57.372 56.100 0.091 0.000 2.132 337 R CB -1.272 29.077 30.300 0.082 0.000 0.712 337 R HN 2.379 nan 8.270 nan 0.000 0.604 338 G N 0.148 109.045 108.800 0.162 0.000 3.008 338 G HA2 0.577 4.536 3.960 -0.000 0.000 0.272 338 G HA3 0.577 4.536 3.960 -0.000 0.000 0.272 338 G C 0.843 175.780 174.900 0.061 0.000 0.764 338 G CA 1.917 47.086 45.100 0.115 0.000 2.029 338 G HN 2.183 nan 8.290 nan 0.000 0.587 339 T N -1.507 113.027 114.554 -0.034 0.000 4.098 339 T HA 0.582 4.932 4.350 -0.000 0.000 0.291 339 T C 1.161 175.791 174.700 -0.116 0.000 0.931 339 T CA 0.915 62.913 62.100 -0.169 0.000 0.688 339 T CB -0.689 67.888 68.868 -0.485 0.000 1.129 339 T HN 1.021 nan 8.240 nan 0.000 0.839 340 A N 0.362 123.148 122.820 -0.057 0.000 2.275 340 A HA 0.939 5.259 4.320 -0.000 0.000 0.276 340 A C 1.410 178.970 177.584 -0.040 0.000 1.232 340 A CA 1.073 53.084 52.037 -0.042 0.000 0.814 340 A CB -1.062 17.923 19.000 -0.025 0.000 1.145 340 A HN 2.510 nan 8.150 nan 0.000 0.508 341 L N -2.021 119.184 121.223 -0.031 0.000 2.629 341 L HA 0.439 4.779 4.340 -0.000 0.000 0.595 341 L C 1.188 178.042 176.870 -0.028 0.000 1.000 341 L CA 0.372 55.197 54.840 -0.025 0.000 1.304 341 L CB -2.373 39.673 42.059 -0.022 0.000 1.841 341 L HN 3.254 nan 8.230 nan 0.000 0.901 342 G N 2.379 111.165 108.800 -0.023 0.000 2.778 342 G HA2 0.560 4.520 3.960 -0.000 0.000 0.686 342 G HA3 0.560 4.520 3.960 -0.000 0.000 0.686 342 G C 1.079 175.962 174.900 -0.028 0.000 1.309 342 G CA 1.355 46.441 45.100 -0.023 0.000 0.904 342 G HN 3.405 nan 8.290 nan 0.000 0.593 343 I N -2.420 118.137 120.570 -0.022 0.000 3.212 343 I HA 0.549 4.719 4.170 -0.000 0.000 0.319 343 I C 2.330 178.439 176.117 -0.013 0.000 0.485 343 I CA 2.020 63.307 61.300 -0.023 0.000 0.962 343 I CB -2.126 35.854 38.000 -0.034 0.000 3.931 343 I HN 3.216 nan 8.210 nan 0.000 1.077 344 K N 0.465 120.858 120.400 -0.010 0.000 2.086 344 K HA -0.266 4.053 4.320 -0.000 0.000 0.169 344 K C 0.836 177.435 176.600 -0.001 0.000 1.526 344 K CA 2.560 58.844 56.287 -0.005 0.000 0.602 344 K CB -1.936 30.562 32.500 -0.002 0.000 0.605 344 K HN 1.730 nan 8.250 nan 0.000 0.921 345 K N 0.562 120.964 120.400 0.004 0.000 3.018 345 K HA 0.281 4.601 4.320 -0.000 0.000 0.341 345 K C 1.463 178.068 176.600 0.009 0.000 1.018 345 K CA 0.465 56.757 56.287 0.009 0.000 1.146 345 K CB -0.157 32.350 32.500 0.011 0.000 1.160 345 K HN 0.800 nan 8.250 nan 0.000 0.471 346 E N -0.095 120.113 120.200 0.013 0.000 4.340 346 E HA -0.415 3.935 4.350 -0.000 0.000 0.194 346 E C 1.443 178.055 176.600 0.019 0.000 1.304 346 E CA 2.393 58.801 56.400 0.014 0.000 2.260 346 E CB -0.991 28.714 29.700 0.009 0.000 1.882 346 E HN 0.445 nan 8.360 nan 0.000 0.326 347 K N 0.768 121.175 120.400 0.012 0.000 2.026 347 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 347 K C 2.302 178.922 176.600 0.033 0.000 1.048 347 K CA 1.929 58.222 56.287 0.009 0.000 0.929 347 K CB -0.341 32.150 32.500 -0.015 0.000 0.713 347 K HN 0.371 nan 8.250 nan 0.000 0.439 348 R N 1.273 121.794 120.500 0.035 0.000 2.066 348 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 348 R C 2.305 178.665 176.300 0.100 0.000 1.131 348 R CA 1.395 57.542 56.100 0.077 0.000 0.955 348 R CB -0.972 29.357 30.300 0.047 0.000 0.851 348 R HN 0.085 nan 8.270 nan 0.000 0.432 349 I N 1.375 121.979 120.570 0.057 0.000 2.248 349 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 349 I C 2.745 178.891 176.117 0.048 0.000 1.107 349 I CA 1.552 62.878 61.300 0.043 0.000 1.373 349 I CB -0.344 37.673 38.000 0.029 0.000 1.055 349 I HN 0.255 nan 8.210 nan 0.000 0.418 350 Q N 0.206 120.045 119.800 0.064 0.000 2.083 350 Q HA -0.234 4.106 4.340 -0.000 0.000 0.198 350 Q C 2.142 178.203 176.000 0.102 0.000 0.969 350 Q CA 1.585 57.428 55.803 0.066 0.000 0.838 350 Q CB -0.490 28.283 28.738 0.060 0.000 0.900 350 Q HN 0.524 nan 8.270 nan 0.000 0.436 351 Y N 0.284 120.572 120.300 -0.020 0.000 2.151 351 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 351 Y C 1.950 177.833 175.900 -0.028 0.000 1.166 351 Y CA 1.638 59.721 58.100 -0.029 0.000 1.163 351 Y CB -0.815 37.627 38.460 -0.031 0.000 0.974 351 Y HN 0.194 nan 8.280 nan 0.000 0.511 352 A N 0.245 123.042 122.820 -0.039 0.000 1.845 352 A HA -0.209 4.110 4.320 -0.000 0.000 0.215 352 A C 2.315 179.836 177.584 -0.105 0.000 1.195 352 A CA 1.983 53.945 52.037 -0.124 0.000 0.616 352 A CB -0.712 18.255 19.000 -0.054 0.000 0.832 352 A HN 0.466 nan 8.150 nan 0.000 0.443 353 K N -0.483 119.893 120.400 -0.040 0.000 2.089 353 K HA -0.214 4.105 4.320 -0.000 0.000 0.210 353 K C 1.656 178.244 176.600 -0.019 0.000 1.048 353 K CA 1.770 58.045 56.287 -0.018 0.000 0.926 353 K CB -0.303 32.202 32.500 0.009 0.000 0.714 353 K HN 0.491 nan 8.250 nan 0.000 0.448 354 D N 0.506 120.888 120.400 -0.030 0.000 2.144 354 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 354 D C 1.951 178.213 176.300 -0.064 0.000 0.978 354 D CA 0.972 54.956 54.000 -0.028 0.000 0.833 354 D CB -0.016 40.778 40.800 -0.010 0.000 0.961 354 D HN 0.212 nan 8.370 nan 0.000 0.470 355 I N 0.869 121.348 120.570 -0.152 0.000 2.202 355 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 355 I C 2.262 178.379 176.117 -0.001 0.000 1.091 355 I CA 0.702 61.913 61.300 -0.149 0.000 1.368 355 I CB -0.119 37.703 38.000 -0.296 0.000 1.058 355 I HN -0.058 nan 8.210 nan 0.000 0.410 356 L N -0.041 121.170 121.223 -0.019 0.000 2.549 356 L HA -0.152 4.187 4.340 -0.000 0.000 0.229 356 L C 2.305 179.281 176.870 0.177 0.000 1.158 356 L CA 0.828 55.714 54.840 0.078 0.000 0.842 356 L CB -0.499 41.519 42.059 -0.069 0.000 0.952 356 L HN 0.391 nan 8.230 nan 0.000 0.452 357 Q N -0.212 119.645 119.800 0.095 0.000 2.159 357 Q HA -0.017 4.323 4.340 -0.000 0.000 0.194 357 Q C 1.765 177.809 176.000 0.074 0.000 0.968 357 Q CA 0.790 56.644 55.803 0.085 0.000 0.837 357 Q CB 0.390 29.162 28.738 0.058 0.000 0.920 357 Q HN 0.396 nan 8.270 nan 0.000 0.485 358 K N -0.511 119.928 120.400 0.065 0.000 2.370 358 K HA 0.091 4.411 4.320 -0.000 0.000 0.194 358 K C 1.273 177.933 176.600 0.100 0.000 1.070 358 K CA 0.304 56.637 56.287 0.077 0.000 0.998 358 K CB 0.756 33.304 32.500 0.079 0.000 0.911 358 K HN 0.007 nan 8.250 nan 0.000 0.533 359 E N 0.122 120.367 120.200 0.075 0.000 2.447 359 E HA 0.060 4.410 4.350 -0.000 0.000 0.204 359 E C -0.336 176.350 176.600 0.144 0.000 0.977 359 E CA 0.002 56.447 56.400 0.074 0.000 0.950 359 E CB 0.366 30.055 29.700 -0.019 0.000 0.975 359 E HN 0.062 nan 8.360 nan 0.000 0.496 360 F N 1.617 121.570 119.950 0.005 0.000 2.404 360 F HA 0.301 4.828 4.527 -0.000 0.000 0.354 360 F C 0.249 176.059 175.800 0.016 0.000 1.122 360 F CA -1.095 56.914 58.000 0.014 0.000 1.080 360 F CB 0.556 39.549 39.000 -0.011 0.000 1.131 360 F HN -0.192 nan 8.300 nan 0.000 0.471 361 L N 7.966 128.817 121.223 -0.620 0.000 3.677 361 L HA -0.214 4.126 4.340 -0.000 0.000 0.464 361 L C -1.622 175.081 176.870 -0.278 0.000 1.278 361 L CA 0.199 54.716 54.840 -0.538 0.000 0.806 361 L CB -1.240 40.267 42.059 -0.920 0.000 1.610 361 L HN 0.582 nan 8.230 nan 0.000 0.867 362 P HA -0.175 nan 4.420 nan 0.000 0.216 362 P C 0.699 177.979 177.300 -0.035 0.000 1.150 362 P CA 1.539 64.639 63.100 0.000 0.000 0.837 362 P CB -0.304 31.467 31.700 0.120 0.000 0.786 363 H N -0.383 118.614 119.070 -0.122 0.000 2.679 363 H HA 0.219 4.775 4.556 -0.000 0.000 0.369 363 H C 1.295 176.507 175.328 -0.194 0.000 1.178 363 H CA 0.052 56.022 56.048 -0.130 0.000 1.419 363 H CB 0.842 30.536 29.762 -0.113 0.000 1.458 363 H HN 0.020 nan 8.280 nan 0.000 0.605 364 I N -0.516 119.811 120.570 -0.404 0.000 4.842 364 I HA -0.300 3.870 4.170 -0.000 0.000 0.042 364 I C -0.250 175.677 176.117 -0.317 0.000 0.653 364 I CA 1.394 62.446 61.300 -0.413 0.000 0.464 364 I CB -1.287 36.368 38.000 -0.575 0.000 0.493 364 I HN 0.780 nan 8.210 nan 0.000 0.155 365 T N 0.732 115.091 114.554 -0.325 0.000 3.291 365 T HA 0.294 4.644 4.350 -0.000 0.000 0.344 365 T C -0.539 174.036 174.700 -0.209 0.000 1.293 365 T CA -0.485 61.401 62.100 -0.356 0.000 1.108 365 T CB 2.359 70.781 68.868 -0.743 0.000 1.231 365 T HN 0.317 nan 8.240 nan 0.000 0.474 366 Q N 2.092 121.803 119.800 -0.149 0.000 2.282 366 Q HA 0.303 4.643 4.340 -0.000 0.000 0.206 366 Q C 1.019 177.004 176.000 -0.026 0.000 0.878 366 Q CA -0.001 55.769 55.803 -0.056 0.000 0.944 366 Q CB 0.256 28.979 28.738 -0.025 0.000 1.100 366 Q HN 0.598 nan 8.270 nan 0.000 0.509 367 L N -0.218 120.972 121.223 -0.055 0.000 2.522 367 L HA -0.037 4.303 4.340 -0.000 0.000 0.157 367 L C 1.559 178.484 176.870 0.092 0.000 1.397 367 L CA 0.791 55.644 54.840 0.021 0.000 2.938 367 L CB -0.044 42.031 42.059 0.026 0.000 2.913 367 L HN 0.066 nan 8.230 nan 0.000 0.949 368 E N -0.673 119.630 120.200 0.171 0.000 2.941 368 E HA 0.117 4.467 4.350 -0.000 0.000 0.180 368 E C 1.045 177.764 176.600 0.199 0.000 1.130 368 E CA 0.359 56.850 56.400 0.151 0.000 1.243 368 E CB 0.008 29.772 29.700 0.107 0.000 1.582 368 E HN 0.535 nan 8.360 nan 0.000 0.499 369 G N 0.810 109.733 108.800 0.206 0.000 3.401 369 G HA2 0.203 4.163 3.960 -0.000 0.000 0.251 369 G HA3 0.203 4.163 3.960 -0.000 0.000 0.251 369 G C -0.572 174.300 174.900 -0.048 0.000 0.960 369 G CA 0.021 45.163 45.100 0.069 0.000 1.900 369 G HN 0.039 nan 8.290 nan 0.000 0.645 370 F N -0.405 119.565 119.950 0.034 0.000 2.790 370 F HA 0.289 4.816 4.527 -0.000 0.000 0.371 370 F C 1.291 177.125 175.800 0.058 0.000 1.293 370 F CA -0.612 57.410 58.000 0.037 0.000 1.205 370 F CB 1.030 40.038 39.000 0.014 0.000 1.047 370 F HN 0.181 nan 8.300 nan 0.000 0.510 371 E N 0.140 120.439 120.200 0.164 0.000 2.077 371 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 371 E C 2.364 179.060 176.600 0.159 0.000 0.989 371 E CA 1.736 58.221 56.400 0.143 0.000 0.800 371 E CB -0.135 29.618 29.700 0.088 0.000 0.746 371 E HN 0.350 nan 8.360 nan 0.000 0.452 372 S N 0.566 116.362 115.700 0.160 0.000 2.399 372 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 372 S C 1.927 176.758 174.600 0.385 0.000 1.022 372 S CA 0.692 59.033 58.200 0.234 0.000 0.983 372 S CB -0.156 63.190 63.200 0.242 0.000 0.803 372 S HN 0.117 nan 8.310 nan 0.000 0.480 373 R N 1.238 121.926 120.500 0.313 0.000 2.081 373 R HA 0.063 4.403 4.340 -0.000 0.000 0.235 373 R C 2.538 179.032 176.300 0.324 0.000 1.131 373 R CA 1.452 57.735 56.100 0.304 0.000 0.960 373 R CB -0.249 30.192 30.300 0.235 0.000 0.856 373 R HN 0.489 nan 8.270 nan 0.000 0.436 374 K N 0.232 120.784 120.400 0.253 0.000 2.031 374 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 374 K C 2.193 178.984 176.600 0.319 0.000 1.049 374 K CA 1.026 57.447 56.287 0.223 0.000 0.939 374 K CB -0.099 32.515 32.500 0.189 0.000 0.717 374 K HN 0.091 nan 8.250 nan 0.000 0.438 375 A N 1.013 123.987 122.820 0.256 0.000 1.892 375 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 375 A C 1.984 179.831 177.584 0.438 0.000 1.188 375 A CA 1.420 53.565 52.037 0.180 0.000 0.631 375 A CB -0.914 18.114 19.000 0.047 0.000 0.822 375 A HN 0.262 nan 8.150 nan 0.000 0.447 376 F N -2.094 118.159 119.950 0.506 0.000 2.216 376 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 376 F C 2.018 178.233 175.800 0.692 0.000 1.085 376 F CA 1.522 59.906 58.000 0.640 0.000 1.326 376 F CB -0.194 39.044 39.000 0.397 0.000 1.027 376 F HN 0.347 nan 8.300 nan 0.000 0.497 377 F N -0.497 119.837 119.950 0.640 0.000 2.149 377 F HA -0.149 4.378 4.527 -0.000 0.000 0.294 377 F C 2.151 178.250 175.800 0.498 0.000 1.095 377 F CA 0.783 59.119 58.000 0.560 0.000 1.276 377 F CB -0.404 38.801 39.000 0.341 0.000 1.023 377 F HN -0.144 nan 8.300 nan 0.000 0.480 378 L N 0.745 122.324 121.223 0.592 0.000 2.043 378 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 378 L C 2.407 179.553 176.870 0.460 0.000 1.075 378 L CA 2.252 57.337 54.840 0.409 0.000 0.752 378 L CB -1.650 40.497 42.059 0.146 0.000 0.891 378 L HN 0.217 nan 8.230 nan 0.000 0.432 379 G N -1.555 107.655 108.800 0.682 0.000 2.514 379 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.217 379 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.217 379 G C 1.625 176.774 174.900 0.416 0.000 1.198 379 G CA 1.095 46.579 45.100 0.639 0.000 0.780 379 G HN 0.553 nan 8.290 nan 0.000 0.565 380 Y N 0.614 121.131 120.300 0.362 0.000 2.207 380 Y HA -0.076 4.474 4.550 -0.000 0.000 0.287 380 Y C 2.792 178.687 175.900 -0.008 0.000 1.156 380 Y CA 2.058 60.260 58.100 0.169 0.000 1.182 380 Y CB -0.194 38.288 38.460 0.036 0.000 0.979 380 Y HN 0.222 nan 8.280 nan 0.000 0.521 381 M N -0.492 119.115 119.600 0.012 0.000 2.086 381 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 381 M C 1.958 178.213 176.300 -0.075 0.000 1.067 381 M CA 2.123 57.384 55.300 -0.065 0.000 1.116 381 M CB -0.258 32.421 32.600 0.133 0.000 1.348 381 M HN 0.355 nan 8.290 nan 0.000 0.407 382 I N -0.003 120.591 120.570 0.039 0.000 2.394 382 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 382 I C 2.015 178.085 176.117 -0.077 0.000 1.136 382 I CA 1.183 62.498 61.300 0.025 0.000 1.425 382 I CB -0.724 37.351 38.000 0.126 0.000 1.079 382 I HN 0.435 nan 8.210 nan 0.000 0.425 383 N N 1.032 119.649 118.700 -0.138 0.000 2.120 383 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 383 N C 1.990 177.344 175.510 -0.260 0.000 1.024 383 N CA 1.238 54.155 53.050 -0.222 0.000 0.852 383 N CB 0.117 38.430 38.487 -0.289 0.000 1.003 383 N HN 0.037 nan 8.380 nan 0.000 0.424 384 R N 0.301 120.579 120.500 -0.369 0.000 2.115 384 R HA -0.021 4.319 4.340 -0.000 0.000 0.226 384 R C 2.077 178.240 176.300 -0.228 0.000 1.100 384 R CA 0.464 56.353 56.100 -0.351 0.000 0.980 384 R CB -1.474 28.534 30.300 -0.486 0.000 0.875 384 R HN 0.376 nan 8.270 nan 0.000 0.445 385 L N 0.772 121.884 121.223 -0.185 0.000 2.017 385 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 385 L C 1.985 178.749 176.870 -0.177 0.000 1.073 385 L CA 1.727 56.485 54.840 -0.135 0.000 0.745 385 L CB -0.411 41.607 42.059 -0.069 0.000 0.894 385 L HN 0.063 nan 8.230 nan 0.000 0.432 386 L N -1.409 119.714 121.223 -0.166 0.000 2.240 386 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 386 L C 2.466 179.222 176.870 -0.190 0.000 1.106 386 L CA 0.323 55.055 54.840 -0.180 0.000 0.793 386 L CB -0.505 41.471 42.059 -0.139 0.000 0.927 386 L HN 0.308 nan 8.230 nan 0.000 0.446 387 L N -0.329 120.792 121.223 -0.171 0.000 2.042 387 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 387 L C 2.634 179.422 176.870 -0.137 0.000 1.076 387 L CA 1.616 56.370 54.840 -0.143 0.000 0.749 387 L CB -0.860 41.120 42.059 -0.131 0.000 0.893 387 L HN 0.365 nan 8.230 nan 0.000 0.432 388 C N -1.416 117.790 119.300 -0.158 0.000 2.514 388 C HA 0.169 4.629 4.460 -0.000 0.000 0.271 388 C C 2.796 177.633 174.990 -0.256 0.000 1.399 388 C CA 0.387 59.327 59.018 -0.129 0.000 1.765 388 C CB -1.057 26.644 27.740 -0.065 0.000 1.893 388 C HN 0.529 nan 8.230 nan 0.000 0.531 389 A N -0.216 122.332 122.820 -0.453 0.000 2.021 389 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 389 A C 1.853 179.289 177.584 -0.248 0.000 1.163 389 A CA 0.858 52.507 52.037 -0.647 0.000 0.676 389 A CB -0.366 18.275 19.000 -0.599 0.000 0.818 389 A HN 0.604 nan 8.150 nan 0.000 0.453 390 L N -0.991 120.123 121.223 -0.180 0.000 2.592 390 L HA 0.095 4.434 4.340 -0.000 0.000 0.227 390 L C -0.066 176.755 176.870 -0.081 0.000 1.127 390 L CA 0.137 54.904 54.840 -0.122 0.000 0.884 390 L CB -0.102 41.872 42.059 -0.140 0.000 1.065 390 L HN 0.262 nan 8.230 nan 0.000 0.457 391 D N -0.569 119.792 120.400 -0.064 0.000 3.059 391 D HA -0.218 4.422 4.640 -0.000 0.000 0.220 391 D C 1.459 177.740 176.300 -0.030 0.000 1.169 391 D CA 0.728 54.713 54.000 -0.025 0.000 0.902 391 D CB -0.476 40.322 40.800 -0.003 0.000 1.116 391 D HN 0.266 nan 8.370 nan 0.000 0.417 392 R N -0.134 120.336 120.500 -0.051 0.000 2.073 392 R HA 0.070 4.410 4.340 -0.000 0.000 0.229 392 R C 0.687 176.969 176.300 -0.030 0.000 1.120 392 R CA 0.874 56.948 56.100 -0.044 0.000 0.967 392 R CB 0.201 30.465 30.300 -0.060 0.000 0.862 392 R HN 0.091 nan 8.270 nan 0.000 0.436 393 K N 0.545 120.924 120.400 -0.035 0.000 2.371 393 K HA 0.155 4.475 4.320 -0.000 0.000 0.251 393 K C -1.099 175.497 176.600 -0.005 0.000 0.934 393 K CA -0.771 55.504 56.287 -0.021 0.000 0.798 393 K CB 1.986 34.464 32.500 -0.036 0.000 1.204 393 K HN -0.120 nan 8.250 nan 0.000 0.427 394 D N 1.628 122.036 120.400 0.014 0.000 2.335 394 D HA -0.085 4.554 4.640 -0.000 0.000 0.236 394 D C 0.063 176.392 176.300 0.049 0.000 1.297 394 D CA 0.485 54.508 54.000 0.037 0.000 0.906 394 D CB 0.663 41.489 40.800 0.044 0.000 1.164 394 D HN 0.373 nan 8.370 nan 0.000 0.469 395 Q N 0.177 120.028 119.800 0.085 0.000 2.373 395 Q HA 0.044 4.384 4.340 -0.000 0.000 0.255 395 Q C -0.890 175.190 176.000 0.135 0.000 0.980 395 Q CA -0.311 55.570 55.803 0.131 0.000 0.882 395 Q CB 0.571 29.413 28.738 0.173 0.000 1.249 395 Q HN 0.224 nan 8.270 nan 0.000 0.438 396 D N 2.130 122.614 120.400 0.140 0.000 2.425 396 D HA -0.023 4.617 4.640 -0.000 0.000 0.247 396 D C -0.872 175.590 176.300 0.271 0.000 1.147 396 D CA 0.341 54.417 54.000 0.127 0.000 0.879 396 D CB 0.531 41.295 40.800 -0.060 0.000 1.179 396 D HN 0.284 nan 8.370 nan 0.000 0.456 397 D N 1.870 122.382 120.400 0.187 0.000 2.338 397 D HA 0.046 4.686 4.640 -0.000 0.000 0.255 397 D C 0.819 177.218 176.300 0.164 0.000 1.237 397 D CA -0.039 54.061 54.000 0.167 0.000 0.883 397 D CB 0.583 41.480 40.800 0.162 0.000 1.087 397 D HN 0.323 nan 8.370 nan 0.000 0.485 398 R N 2.258 122.831 120.500 0.122 0.000 2.148 398 R HA -0.055 4.284 4.340 -0.000 0.000 0.223 398 R C 0.365 176.670 176.300 0.009 0.000 1.088 398 R CA 0.759 56.911 56.100 0.087 0.000 0.985 398 R CB 0.376 30.658 30.300 -0.030 0.000 0.880 398 R HN 0.439 nan 8.270 nan 0.000 0.451 399 D N -0.555 119.783 120.400 -0.103 0.000 2.349 399 D HA -0.038 4.602 4.640 -0.000 0.000 0.214 399 D C 0.118 176.183 176.300 -0.393 0.000 1.063 399 D CA 0.216 54.033 54.000 -0.305 0.000 0.847 399 D CB -0.034 40.441 40.800 -0.542 0.000 0.933 399 D HN 0.122 nan 8.370 nan 0.000 0.513 400 H N 0.891 119.852 119.070 -0.181 0.000 3.091 400 H HA -0.096 4.460 4.556 -0.000 0.000 0.289 400 H C 0.729 176.102 175.328 0.075 0.000 0.995 400 H CA -0.000 56.047 56.048 -0.001 0.000 1.461 400 H CB 0.206 29.999 29.762 0.053 0.000 1.510 400 H HN -0.046 nan 8.280 nan 0.000 0.546 401 F N 4.037 124.068 119.950 0.135 0.000 2.171 401 F HA -0.029 4.498 4.527 -0.000 0.000 0.300 401 F C 2.350 178.247 175.800 0.160 0.000 1.090 401 F CA 1.605 59.664 58.000 0.099 0.000 1.293 401 F CB -0.435 38.584 39.000 0.032 0.000 1.013 401 F HN 0.697 nan 8.300 nan 0.000 0.486 402 G N -0.430 108.572 108.800 0.338 0.000 2.807 402 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.207 402 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.207 402 G C 1.311 176.121 174.900 -0.149 0.000 1.151 402 G CA 0.224 45.354 45.100 0.049 0.000 0.800 402 G HN 0.338 nan 8.290 nan 0.000 0.523 403 K N -0.269 120.066 120.400 -0.110 0.000 2.506 403 K HA 0.182 4.502 4.320 -0.000 0.000 0.204 403 K C 0.053 176.568 176.600 -0.142 0.000 1.045 403 K CA -0.030 56.162 56.287 -0.157 0.000 1.074 403 K CB 0.669 33.108 32.500 -0.100 0.000 0.842 403 K HN 0.165 nan 8.250 nan 0.000 0.514 404 K N 0.948 121.224 120.400 -0.207 0.000 2.385 404 K HA 0.468 4.788 4.320 -0.000 0.000 0.248 404 K C -0.409 176.016 176.600 -0.292 0.000 0.955 404 K CA -1.112 55.053 56.287 -0.203 0.000 0.816 404 K CB 2.082 34.503 32.500 -0.132 0.000 1.250 404 K HN -0.187 nan 8.250 nan 0.000 0.434 405 R N 1.094 121.475 120.500 -0.197 0.000 2.919 405 R HA 0.584 4.924 4.340 -0.000 0.000 0.260 405 R C -0.640 175.587 176.300 -0.123 0.000 1.067 405 R CA -0.949 55.044 56.100 -0.178 0.000 1.003 405 R CB 0.927 31.144 30.300 -0.137 0.000 1.192 405 R HN 0.539 nan 8.270 nan 0.000 0.488 406 L N 1.874 123.034 121.223 -0.104 0.000 2.377 406 L HA 0.325 4.665 4.340 -0.000 0.000 0.270 406 L C -0.688 176.144 176.870 -0.062 0.000 0.991 406 L CA -0.681 54.117 54.840 -0.070 0.000 0.851 406 L CB 1.955 43.979 42.059 -0.058 0.000 1.218 406 L HN 0.336 nan 8.230 nan 0.000 0.420 407 D N 4.064 124.427 120.400 -0.061 0.000 2.344 407 D HA 0.213 4.853 4.640 -0.000 0.000 0.253 407 D C 0.153 176.410 176.300 -0.072 0.000 1.255 407 D CA -0.210 53.755 54.000 -0.058 0.000 0.894 407 D CB 2.052 42.817 40.800 -0.059 0.000 1.067 407 D HN 0.112 nan 8.370 nan 0.000 0.492 408 L N 1.606 122.802 121.223 -0.045 0.000 2.642 408 L HA 0.250 4.590 4.340 -0.000 0.000 0.229 408 L C 2.009 178.871 176.870 -0.014 0.000 1.179 408 L CA -0.143 54.675 54.840 -0.036 0.000 0.834 408 L CB -0.251 41.801 42.059 -0.011 0.000 1.515 408 L HN 0.408 nan 8.230 nan 0.000 0.512 409 A N 0.535 123.378 122.820 0.040 0.000 1.906 409 A HA -0.281 4.039 4.320 -0.000 0.000 0.222 409 A C 2.048 179.673 177.584 0.068 0.000 1.282 409 A CA 2.688 54.805 52.037 0.133 0.000 0.675 409 A CB -1.672 17.495 19.000 0.278 0.000 0.838 409 A HN 0.898 nan 8.150 nan 0.000 0.469 410 G N -0.347 108.497 108.800 0.073 0.000 2.545 410 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 410 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 410 G C -0.179 174.657 174.900 -0.108 0.000 1.218 410 G CA 1.431 46.511 45.100 -0.032 0.000 0.787 410 G HN 0.518 nan 8.290 nan 0.000 0.571 411 P HA -0.040 nan 4.420 nan 0.000 0.215 411 P C 2.078 179.417 177.300 0.064 0.000 1.153 411 P CA 0.792 63.919 63.100 0.045 0.000 0.853 411 P CB -0.125 31.594 31.700 0.031 0.000 0.788 412 L N -1.572 119.686 121.223 0.058 0.000 1.976 412 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 412 L C 2.517 179.626 176.870 0.398 0.000 1.071 412 L CA 1.446 56.424 54.840 0.230 0.000 0.746 412 L CB -1.414 40.629 42.059 -0.028 0.000 0.890 412 L HN -0.104 nan 8.230 nan 0.000 0.432 413 L N -0.106 121.223 121.223 0.176 0.000 2.089 413 L HA -0.305 4.035 4.340 -0.000 0.000 0.213 413 L C 2.877 179.712 176.870 -0.058 0.000 1.079 413 L CA 1.350 56.147 54.840 -0.071 0.000 0.758 413 L CB -0.825 40.916 42.059 -0.531 0.000 0.891 413 L HN 0.328 nan 8.230 nan 0.000 0.433 414 A N -0.611 122.169 122.820 -0.067 0.000 1.865 414 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 414 A C 2.217 179.941 177.584 0.233 0.000 1.191 414 A CA 1.872 54.052 52.037 0.238 0.000 0.623 414 A CB -0.597 18.554 19.000 0.252 0.000 0.826 414 A HN 0.488 nan 8.150 nan 0.000 0.444 415 Q N -0.725 119.191 119.800 0.194 0.000 2.045 415 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 415 Q C 2.230 178.312 176.000 0.138 0.000 0.991 415 Q CA 1.670 57.581 55.803 0.179 0.000 0.851 415 Q CB -0.366 28.506 28.738 0.224 0.000 0.911 415 Q HN 0.677 nan 8.270 nan 0.000 0.418 416 L N -0.359 120.916 121.223 0.087 0.000 1.994 416 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 416 L C 2.374 179.269 176.870 0.042 0.000 1.071 416 L CA 1.288 56.097 54.840 -0.052 0.000 0.745 416 L CB -0.359 41.526 42.059 -0.290 0.000 0.892 416 L HN 0.249 nan 8.230 nan 0.000 0.431 417 F N 0.844 120.790 119.950 -0.006 0.000 2.154 417 F HA -0.315 4.211 4.527 -0.000 0.000 0.301 417 F C 2.450 178.289 175.800 0.066 0.000 1.087 417 F CA 1.749 59.770 58.000 0.036 0.000 1.274 417 F CB -0.083 38.983 39.000 0.109 0.000 1.009 417 F HN -0.027 nan 8.300 nan 0.000 0.485 418 K N -0.604 119.928 120.400 0.220 0.000 1.973 418 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 418 K C 1.972 178.622 176.600 0.084 0.000 1.047 418 K CA 2.209 58.595 56.287 0.166 0.000 0.937 418 K CB -0.902 31.691 32.500 0.154 0.000 0.721 418 K HN 0.178 nan 8.250 nan 0.000 0.440 419 T N 2.350 116.933 114.554 0.048 0.000 2.653 419 T HA -0.193 4.156 4.350 -0.000 0.000 0.268 419 T C 1.929 176.604 174.700 -0.042 0.000 1.035 419 T CA 1.597 63.700 62.100 0.006 0.000 1.154 419 T CB -0.363 68.504 68.868 -0.002 0.000 0.862 419 T HN 0.117 nan 8.240 nan 0.000 0.441 420 L N -0.583 120.590 121.223 -0.083 0.000 2.109 420 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 420 L C 2.249 179.029 176.870 -0.150 0.000 1.086 420 L CA 0.912 55.671 54.840 -0.135 0.000 0.760 420 L CB -0.520 41.430 42.059 -0.182 0.000 0.910 420 L HN 0.154 nan 8.230 nan 0.000 0.437 421 F N 0.797 120.531 119.950 -0.361 0.000 2.293 421 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 421 F C 2.339 178.019 175.800 -0.199 0.000 1.086 421 F CA 1.329 59.114 58.000 -0.358 0.000 1.375 421 F CB -0.100 38.654 39.000 -0.410 0.000 1.045 421 F HN -0.114 nan 8.300 nan 0.000 0.516 422 K N 0.048 120.371 120.400 -0.128 0.000 2.044 422 K HA -0.139 4.180 4.320 -0.000 0.000 0.204 422 K C 2.140 178.641 176.600 -0.164 0.000 1.049 422 K CA 0.989 57.181 56.287 -0.159 0.000 0.945 422 K CB -0.247 32.222 32.500 -0.052 0.000 0.724 422 K HN 0.135 nan 8.250 nan 0.000 0.440 423 K N 1.258 121.583 120.400 -0.126 0.000 2.211 423 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 423 K C 2.113 178.632 176.600 -0.135 0.000 1.047 423 K CA 0.735 56.953 56.287 -0.115 0.000 0.935 423 K CB -0.018 32.426 32.500 -0.094 0.000 0.728 423 K HN 0.005 nan 8.250 nan 0.000 0.452 424 L N 0.323 121.440 121.223 -0.177 0.000 1.993 424 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 424 L C 1.981 178.737 176.870 -0.189 0.000 1.074 424 L CA 2.046 56.779 54.840 -0.179 0.000 0.746 424 L CB -1.276 40.647 42.059 -0.227 0.000 0.896 424 L HN -0.013 nan 8.230 nan 0.000 0.435 425 T N -0.254 114.113 114.554 -0.312 0.000 2.760 425 T HA -0.287 4.063 4.350 -0.000 0.000 0.269 425 T C 1.901 176.550 174.700 -0.084 0.000 1.047 425 T CA 2.067 64.026 62.100 -0.235 0.000 1.139 425 T CB -0.273 68.372 68.868 -0.372 0.000 0.855 425 T HN 0.392 nan 8.240 nan 0.000 0.471 426 K N 0.324 120.656 120.400 -0.113 0.000 2.155 426 K HA -0.075 4.244 4.320 -0.000 0.000 0.203 426 K C 1.822 178.377 176.600 -0.074 0.000 1.052 426 K CA 1.169 57.406 56.287 -0.084 0.000 0.948 426 K CB 0.051 32.479 32.500 -0.120 0.000 0.728 426 K HN 0.144 nan 8.250 nan 0.000 0.448 427 D N 0.718 121.041 120.400 -0.129 0.000 2.224 427 D HA -0.097 4.542 4.640 -0.000 0.000 0.205 427 D C 1.742 177.881 176.300 -0.269 0.000 0.965 427 D CA 0.607 54.453 54.000 -0.255 0.000 0.852 427 D CB 0.182 40.844 40.800 -0.231 0.000 0.947 427 D HN 0.194 nan 8.370 nan 0.000 0.494 428 I N 0.197 120.735 120.570 -0.053 0.000 2.252 428 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 428 I C 2.234 178.382 176.117 0.051 0.000 1.102 428 I CA 0.695 62.025 61.300 0.050 0.000 1.385 428 I CB -1.150 36.894 38.000 0.073 0.000 1.064 428 I HN -0.045 nan 8.210 nan 0.000 0.414 429 F N 1.773 121.677 119.950 -0.076 0.000 2.269 429 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 429 F C 2.708 178.463 175.800 -0.075 0.000 1.082 429 F CA 1.408 59.373 58.000 -0.060 0.000 1.360 429 F CB -0.069 38.893 39.000 -0.064 0.000 1.041 429 F HN -0.016 nan 8.300 nan 0.000 0.512 430 R N -1.451 119.073 120.500 0.040 0.000 2.075 430 R HA -0.126 4.214 4.340 -0.000 0.000 0.226 430 R C 1.909 178.182 176.300 -0.046 0.000 1.114 430 R CA 1.321 57.380 56.100 -0.067 0.000 0.972 430 R CB -0.629 29.523 30.300 -0.247 0.000 0.869 430 R HN 0.281 nan 8.270 nan 0.000 0.437 431 Y N 0.191 120.503 120.300 0.020 0.000 2.509 431 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 431 Y C 2.124 178.006 175.900 -0.030 0.000 1.133 431 Y CA 0.450 58.549 58.100 -0.002 0.000 1.283 431 Y CB -0.358 38.103 38.460 0.001 0.000 1.001 431 Y HN -0.007 nan 8.280 nan 0.000 0.555 432 M N -0.133 119.504 119.600 0.061 0.000 2.117 432 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 432 M C 1.236 177.499 176.300 -0.062 0.000 1.065 432 M CA 1.593 56.858 55.300 -0.059 0.000 1.114 432 M CB -0.092 32.364 32.600 -0.240 0.000 1.361 432 M HN 0.206 nan 8.290 nan 0.000 0.408 433 Q N -1.394 118.382 119.800 -0.040 0.000 2.422 433 Q HA 0.167 4.507 4.340 -0.000 0.000 0.179 433 Q C 0.945 176.958 176.000 0.022 0.000 1.119 433 Q CA 0.062 55.856 55.803 -0.015 0.000 1.063 433 Q CB 0.146 28.893 28.738 0.015 0.000 2.493 433 Q HN 0.271 nan 8.270 nan 0.000 0.545 434 R N -1.442 119.076 120.500 0.029 0.000 1.252 434 R HA -0.203 4.137 4.340 -0.000 0.000 0.031 434 R C -0.259 176.055 176.300 0.022 0.000 0.958 434 R CA 2.031 58.152 56.100 0.036 0.000 1.965 434 R CB -2.074 28.264 30.300 0.063 0.000 0.201 434 R HN 0.668 nan 8.270 nan 0.000 0.724 435 T N 1.711 116.277 114.554 0.019 0.000 2.833 435 T HA 0.158 4.507 4.350 -0.000 0.000 0.254 435 T C 1.354 176.054 174.700 -0.001 0.000 0.972 435 T CA 0.395 62.499 62.100 0.007 0.000 1.246 435 T CB 0.725 69.594 68.868 0.002 0.000 0.949 435 T HN 0.246 nan 8.240 nan 0.000 0.567 436 V N 2.062 121.977 119.914 0.001 0.000 2.490 436 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 436 V C 1.937 178.028 176.094 -0.005 0.000 1.061 436 V CA 1.878 64.177 62.300 -0.001 0.000 1.064 436 V CB -0.466 31.358 31.823 0.002 0.000 0.670 436 V HN 0.924 nan 8.190 nan 0.000 0.461 437 E N -1.094 119.103 120.200 -0.006 0.000 3.554 437 E HA 0.183 4.533 4.350 -0.000 0.000 0.211 437 E C 1.197 177.791 176.600 -0.008 0.000 1.225 437 E CA 0.869 57.264 56.400 -0.008 0.000 1.019 437 E CB -0.344 29.352 29.700 -0.006 0.000 3.139 437 E HN 0.350 nan 8.360 nan 0.000 0.650 438 E N 1.213 121.409 120.200 -0.007 0.000 3.049 438 E HA -0.257 4.093 4.350 -0.000 0.000 0.272 438 E C 1.237 177.831 176.600 -0.009 0.000 1.051 438 E CA 2.894 59.290 56.400 -0.007 0.000 0.813 438 E CB -2.575 27.120 29.700 -0.007 0.000 1.409 438 E HN 1.697 nan 8.360 nan 0.000 0.454 439 A N -2.403 120.411 122.820 -0.010 0.000 5.236 439 A HA 0.043 4.363 4.320 -0.000 0.000 0.326 439 A C 1.716 179.292 177.584 -0.013 0.000 1.825 439 A CA 3.596 55.627 52.037 -0.012 0.000 0.710 439 A CB -2.132 16.862 19.000 -0.010 0.000 1.383 439 A HN 2.702 nan 8.150 nan 0.000 0.386 440 H N 0.201 119.264 119.070 -0.012 0.000 3.094 440 H HA 0.448 5.003 4.556 -0.000 0.000 0.320 440 H C 0.789 176.109 175.328 -0.014 0.000 1.000 440 H CA 1.526 57.566 56.048 -0.013 0.000 1.413 440 H CB -0.396 29.359 29.762 -0.011 0.000 1.405 440 H HN 2.140 nan 8.280 nan 0.000 0.586 441 D N 0.307 120.698 120.400 -0.015 0.000 2.881 441 D HA 0.404 5.044 4.640 -0.000 0.000 0.325 441 D C 1.213 177.506 176.300 -0.011 0.000 1.621 441 D CA 0.556 54.548 54.000 -0.014 0.000 0.785 441 D CB -0.996 39.797 40.800 -0.013 0.000 1.233 441 D HN 0.995 nan 8.370 nan 0.000 0.447 442 F N 0.015 119.958 119.950 -0.011 0.000 2.219 442 F HA 0.203 4.730 4.527 -0.000 0.000 0.294 442 F C 2.684 178.483 175.800 -0.001 0.000 1.086 442 F CA 1.779 59.775 58.000 -0.006 0.000 1.330 442 F CB -1.261 37.734 39.000 -0.007 0.000 1.047 442 F HN 0.612 nan 8.300 nan 0.000 0.495 443 N N 0.463 119.159 118.700 -0.006 0.000 2.223 443 N HA -0.062 4.678 4.740 -0.000 0.000 0.185 443 N C 2.156 177.654 175.510 -0.021 0.000 1.016 443 N CA 3.335 56.381 53.050 -0.007 0.000 0.863 443 N CB -1.078 37.403 38.487 -0.010 0.000 0.983 443 N HN 0.881 nan 8.380 nan 0.000 0.429 444 M N 0.304 119.885 119.600 -0.031 0.000 2.099 444 M HA 0.287 4.767 4.480 -0.000 0.000 0.262 444 M C 2.323 178.576 176.300 -0.079 0.000 1.067 444 M CA 2.283 57.545 55.300 -0.064 0.000 1.124 444 M CB -1.857 30.709 32.600 -0.056 0.000 1.353 444 M HN 0.990 nan 8.290 nan 0.000 0.410 445 K N -0.002 120.388 120.400 -0.016 0.000 2.991 445 K HA 0.607 4.927 4.320 -0.000 0.000 0.338 445 K C 0.991 177.615 176.600 0.041 0.000 1.038 445 K CA 0.370 56.681 56.287 0.040 0.000 1.099 445 K CB -1.138 31.402 32.500 0.066 0.000 1.090 445 K HN 1.228 nan 8.250 nan 0.000 0.449 446 L N -3.436 117.837 121.223 0.083 0.000 5.766 446 L HA -0.210 4.130 4.340 -0.000 0.000 0.272 446 L C 1.262 178.187 176.870 0.092 0.000 1.146 446 L CA 0.704 55.599 54.840 0.092 0.000 1.320 446 L CB -1.392 40.712 42.059 0.075 0.000 2.115 446 L HN 1.936 nan 8.230 nan 0.000 0.874 447 A N -0.964 121.920 122.820 0.106 0.000 2.681 447 A HA -0.251 4.069 4.320 -0.000 0.000 0.311 447 A C 0.933 178.576 177.584 0.098 0.000 1.522 447 A CA 1.756 53.861 52.037 0.113 0.000 0.910 447 A CB -1.167 17.885 19.000 0.087 0.000 0.965 447 A HN 0.505 nan 8.150 nan 0.000 0.468 448 I N -1.586 119.046 120.570 0.103 0.000 2.685 448 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 448 I C 2.668 178.823 176.117 0.063 0.000 1.102 448 I CA 1.394 62.755 61.300 0.101 0.000 1.442 448 I CB -2.117 35.974 38.000 0.153 0.000 1.194 448 I HN 0.636 nan 8.210 nan 0.000 0.448 449 N N 1.928 120.652 118.700 0.041 0.000 2.182 449 N HA -0.265 4.474 4.740 -0.000 0.000 0.192 449 N C 2.069 177.561 175.510 -0.030 0.000 1.007 449 N CA 2.321 55.362 53.050 -0.014 0.000 0.873 449 N CB -0.734 37.744 38.487 -0.015 0.000 0.998 449 N HN 0.491 nan 8.380 nan 0.000 0.436 450 A N 0.469 123.306 122.820 0.028 0.000 1.870 450 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 450 A C 2.169 179.797 177.584 0.073 0.000 1.224 450 A CA 2.506 54.604 52.037 0.102 0.000 0.650 450 A CB -0.575 18.580 19.000 0.259 0.000 0.836 450 A HN 0.557 nan 8.150 nan 0.000 0.454 451 K N -1.468 118.970 120.400 0.064 0.000 2.005 451 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 451 K C 2.241 178.847 176.600 0.009 0.000 1.044 451 K CA 1.854 58.168 56.287 0.043 0.000 0.942 451 K CB -0.853 31.671 32.500 0.041 0.000 0.727 451 K HN 0.483 nan 8.250 nan 0.000 0.439 452 T N 2.423 116.973 114.554 -0.006 0.000 2.624 452 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 452 T C 2.055 176.718 174.700 -0.061 0.000 1.041 452 T CA 1.963 64.041 62.100 -0.036 0.000 1.159 452 T CB -0.259 68.582 68.868 -0.044 0.000 0.863 452 T HN 0.205 nan 8.240 nan 0.000 0.434 453 I N 0.888 121.410 120.570 -0.080 0.000 2.226 453 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 453 I C 2.722 178.807 176.117 -0.054 0.000 1.100 453 I CA 1.187 62.420 61.300 -0.112 0.000 1.374 453 I CB -0.618 37.281 38.000 -0.168 0.000 1.057 453 I HN 0.266 nan 8.210 nan 0.000 0.413 454 T N 0.119 114.660 114.554 -0.022 0.000 2.788 454 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 454 T C 2.067 176.776 174.700 0.015 0.000 1.044 454 T CA 1.779 63.886 62.100 0.012 0.000 1.139 454 T CB -0.289 68.606 68.868 0.043 0.000 0.867 454 T HN 0.538 nan 8.240 nan 0.000 0.454 455 S N 1.172 116.877 115.700 0.008 0.000 2.387 455 S HA 0.053 4.523 4.470 -0.000 0.000 0.226 455 S C 2.402 177.017 174.600 0.025 0.000 1.026 455 S CA 0.958 59.170 58.200 0.019 0.000 0.972 455 S CB -0.971 62.228 63.200 -0.001 0.000 0.814 455 S HN 0.497 nan 8.310 nan 0.000 0.477 456 G N 2.117 110.904 108.800 -0.022 0.000 2.404 456 G HA2 0.010 3.969 3.960 -0.000 0.000 0.215 456 G HA3 0.010 3.969 3.960 -0.000 0.000 0.215 456 G C 1.456 176.314 174.900 -0.071 0.000 1.174 456 G CA 0.741 45.816 45.100 -0.041 0.000 0.780 456 G HN 0.468 nan 8.290 nan 0.000 0.537 457 L N -0.178 121.005 121.223 -0.068 0.000 2.079 457 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 457 L C 2.973 179.787 176.870 -0.094 0.000 1.081 457 L CA 1.235 56.021 54.840 -0.090 0.000 0.752 457 L CB -0.297 41.757 42.059 -0.008 0.000 0.896 457 L HN 0.223 nan 8.230 nan 0.000 0.433 458 K N -0.757 119.630 120.400 -0.022 0.000 1.975 458 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 458 K C 2.108 178.714 176.600 0.011 0.000 1.041 458 K CA 1.494 57.785 56.287 0.007 0.000 0.942 458 K CB -0.507 32.023 32.500 0.050 0.000 0.729 458 K HN 0.030 nan 8.250 nan 0.000 0.439 459 Y N 1.561 121.824 120.300 -0.062 0.000 2.172 459 Y HA -0.385 4.165 4.550 -0.000 0.000 0.280 459 Y C 1.906 177.766 175.900 -0.066 0.000 1.209 459 Y CA 1.752 59.822 58.100 -0.052 0.000 1.171 459 Y CB -0.369 38.056 38.460 -0.059 0.000 0.965 459 Y HN 0.171 nan 8.280 nan 0.000 0.520 460 A N -0.462 122.230 122.820 -0.214 0.000 1.835 460 A HA -0.086 4.234 4.320 -0.000 0.000 0.213 460 A C 2.041 179.565 177.584 -0.100 0.000 1.210 460 A CA 1.342 53.172 52.037 -0.344 0.000 0.605 460 A CB -1.239 17.262 19.000 -0.832 0.000 0.860 460 A HN 0.394 nan 8.150 nan 0.000 0.447 461 L N -0.215 120.962 121.223 -0.077 0.000 2.263 461 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 461 L C 2.695 179.598 176.870 0.055 0.000 1.111 461 L CA 1.788 56.679 54.840 0.085 0.000 0.773 461 L CB -0.550 41.471 42.059 -0.064 0.000 0.906 461 L HN 0.450 nan 8.230 nan 0.000 0.439 462 A N -2.352 120.453 122.820 -0.025 0.000 1.887 462 A HA -0.012 4.308 4.320 -0.000 0.000 0.212 462 A C 2.036 179.585 177.584 -0.057 0.000 1.198 462 A CA 1.471 53.495 52.037 -0.021 0.000 0.628 462 A CB -0.588 18.401 19.000 -0.018 0.000 0.847 462 A HN 0.405 nan 8.150 nan 0.000 0.449 463 T N -1.484 112.961 114.554 -0.182 0.000 3.219 463 T HA 0.429 4.779 4.350 -0.000 0.000 0.197 463 T C 1.512 176.179 174.700 -0.055 0.000 0.844 463 T CA 1.186 63.174 62.100 -0.186 0.000 2.320 463 T CB -0.439 68.164 68.868 -0.442 0.000 1.777 463 T HN 0.961 nan 8.240 nan 0.000 0.406 464 G N 0.335 109.116 108.800 -0.030 0.000 3.990 464 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.213 464 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.213 464 G C -0.359 174.612 174.900 0.119 0.000 0.849 464 G CA -0.644 44.501 45.100 0.074 0.000 0.857 464 G HN 0.354 nan 8.290 nan 0.000 0.484 465 N N 1.504 120.222 118.700 0.029 0.000 2.406 465 N HA 0.079 4.819 4.740 -0.000 0.000 0.274 465 N C -0.496 175.119 175.510 0.174 0.000 1.249 465 N CA -0.182 52.923 53.050 0.092 0.000 0.951 465 N CB 0.243 38.774 38.487 0.074 0.000 1.241 465 N HN 0.416 nan 8.380 nan 0.000 0.485 466 W N 2.589 123.892 121.300 0.004 0.000 1.738 466 W HA 0.342 5.002 4.660 -0.000 0.000 0.399 466 W C 0.280 176.835 176.519 0.060 0.000 0.744 466 W CA -0.456 56.901 57.345 0.020 0.000 1.695 466 W CB 0.114 29.577 29.460 0.006 0.000 1.820 466 W HN 0.654 nan 8.180 nan 0.000 0.262 467 G N 1.563 110.398 108.800 0.060 0.000 3.812 467 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.149 467 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.149 467 G C -0.010 174.920 174.900 0.050 0.000 1.225 467 G CA -0.106 45.032 45.100 0.063 0.000 0.812 467 G HN 0.241 nan 8.290 nan 0.000 0.753 468 E N 0.880 121.174 120.200 0.157 0.000 7.387 468 E HA -0.275 4.075 4.350 -0.000 0.000 0.318 468 E C 0.967 177.498 176.600 -0.115 0.000 0.824 468 E CA 1.369 57.773 56.400 0.007 0.000 1.347 468 E CB -0.919 28.736 29.700 -0.074 0.000 0.927 468 E HN 1.336 nan 8.360 nan 0.000 0.269 469 Q N 1.907 121.501 119.800 -0.344 0.000 2.200 469 Q HA -0.325 4.015 4.340 -0.000 0.000 0.207 469 Q C 0.452 176.424 176.000 -0.046 0.000 0.763 469 Q CA 2.664 58.335 55.803 -0.220 0.000 1.426 469 Q CB -1.020 27.572 28.738 -0.244 0.000 1.913 469 Q HN 0.695 nan 8.270 nan 0.000 0.608 470 K N 0.841 121.251 120.400 0.016 0.000 2.056 470 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 470 K C 1.114 177.754 176.600 0.067 0.000 1.035 470 K CA 1.137 57.446 56.287 0.036 0.000 0.955 470 K CB 0.069 32.592 32.500 0.039 0.000 0.769 470 K HN 0.399 nan 8.250 nan 0.000 0.447 471 K N -1.014 119.451 120.400 0.108 0.000 3.539 471 K HA -0.319 4.001 4.320 -0.000 0.000 0.283 471 K C 1.184 177.830 176.600 0.078 0.000 1.072 471 K CA 1.880 58.232 56.287 0.110 0.000 1.092 471 K CB -2.163 30.408 32.500 0.118 0.000 1.433 471 K HN 0.183 nan 8.250 nan 0.000 0.429 472 A N 1.116 123.973 122.820 0.061 0.000 1.978 472 A HA 0.080 4.400 4.320 -0.000 0.000 0.220 472 A C 1.285 178.899 177.584 0.051 0.000 1.170 472 A CA 1.600 53.665 52.037 0.047 0.000 0.636 472 A CB -0.524 18.498 19.000 0.036 0.000 0.810 472 A HN 0.492 nan 8.150 nan 0.000 0.448 473 M N 1.671 121.308 119.600 0.063 0.000 2.350 473 M HA 0.050 4.530 4.480 -0.000 0.000 0.338 473 M C 0.956 177.303 176.300 0.078 0.000 1.559 473 M CA 0.164 55.507 55.300 0.071 0.000 1.217 473 M CB 0.418 33.071 32.600 0.088 0.000 1.808 473 M HN 0.422 nan 8.290 nan 0.000 0.458 474 S N -0.110 115.627 115.700 0.062 0.000 2.805 474 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 474 S C 1.517 176.154 174.600 0.062 0.000 0.968 474 S CA 0.391 58.624 58.200 0.056 0.000 0.976 474 S CB -0.723 62.501 63.200 0.039 0.000 0.787 474 S HN 0.819 nan 8.310 nan 0.000 0.533 475 S N 2.532 118.285 115.700 0.088 0.000 2.500 475 S HA -0.182 4.288 4.470 -0.000 0.000 0.239 475 S C 1.743 176.415 174.600 0.120 0.000 0.989 475 S CA 0.437 58.700 58.200 0.106 0.000 0.951 475 S CB -0.743 62.565 63.200 0.179 0.000 0.759 475 S HN 0.870 nan 8.310 nan 0.000 0.523 476 R N 1.336 121.904 120.500 0.114 0.000 2.397 476 R HA 0.170 4.510 4.340 -0.000 0.000 0.213 476 R C 1.605 177.940 176.300 0.058 0.000 1.102 476 R CA 0.777 56.936 56.100 0.097 0.000 1.040 476 R CB -0.920 29.430 30.300 0.083 0.000 0.844 476 R HN 0.402 nan 8.270 nan 0.000 0.478 477 A N 1.494 124.338 122.820 0.040 0.000 2.292 477 A HA 0.123 4.442 4.320 -0.000 0.000 0.205 477 A C 1.415 179.001 177.584 0.003 0.000 1.243 477 A CA 0.672 52.718 52.037 0.015 0.000 0.783 477 A CB -0.774 18.228 19.000 0.003 0.000 0.760 477 A HN 0.703 nan 8.150 nan 0.000 0.498 478 G N -1.276 107.531 108.800 0.010 0.000 2.248 478 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.252 478 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.252 478 G C -0.070 174.813 174.900 -0.029 0.000 1.085 478 G CA -0.116 44.988 45.100 0.006 0.000 0.845 478 G HN 0.915 nan 8.290 nan 0.000 0.494 479 V N 0.001 119.865 119.914 -0.083 0.000 2.775 479 V HA 0.706 4.825 4.120 -0.000 0.000 0.299 479 V C 1.363 177.386 176.094 -0.118 0.000 1.062 479 V CA 0.653 62.832 62.300 -0.202 0.000 1.063 479 V CB 1.466 32.994 31.823 -0.492 0.000 0.994 479 V HN 2.155 nan 8.190 nan 0.000 0.483 480 S N 2.611 118.245 115.700 -0.109 0.000 3.551 480 S HA -0.153 4.317 4.470 -0.000 0.000 0.547 480 S C -0.505 174.127 174.600 0.054 0.000 0.699 480 S CA 0.438 58.651 58.200 0.022 0.000 1.399 480 S CB -0.811 62.473 63.200 0.140 0.000 0.922 480 S HN 0.890 nan 8.310 nan 0.000 0.818 481 Q N 2.465 122.306 119.800 0.069 0.000 2.301 481 Q HA 0.660 5.000 4.340 -0.000 0.000 0.267 481 Q C 0.025 176.112 176.000 0.145 0.000 1.035 481 Q CA -1.005 54.867 55.803 0.115 0.000 0.856 481 Q CB 1.872 30.721 28.738 0.185 0.000 1.337 481 Q HN 0.510 nan 8.270 nan 0.000 0.450 482 V N 2.157 122.131 119.914 0.101 0.000 2.540 482 V HA -0.063 4.057 4.120 -0.000 0.000 0.297 482 V C 0.159 176.305 176.094 0.088 0.000 1.024 482 V CA -0.214 62.125 62.300 0.065 0.000 1.105 482 V CB -0.347 31.487 31.823 0.017 0.000 0.938 482 V HN 0.576 nan 8.190 nan 0.000 0.482 483 L N 5.401 126.650 121.223 0.043 0.000 2.513 483 L HA 0.196 4.536 4.340 -0.000 0.000 0.272 483 L C 0.466 177.300 176.870 -0.059 0.000 1.187 483 L CA 0.430 55.305 54.840 0.059 0.000 0.895 483 L CB -0.210 41.742 42.059 -0.178 0.000 1.147 483 L HN 0.689 nan 8.230 nan 0.000 0.483 484 N N 3.618 122.303 118.700 -0.025 0.000 2.412 484 N HA 0.143 4.883 4.740 -0.000 0.000 0.254 484 N C 0.210 175.612 175.510 -0.179 0.000 1.232 484 N CA 0.332 53.316 53.050 -0.111 0.000 0.880 484 N CB 0.425 38.879 38.487 -0.056 0.000 1.076 484 N HN 0.476 nan 8.380 nan 0.000 0.458 485 R N 1.357 121.597 120.500 -0.434 0.000 2.508 485 R HA 0.213 4.553 4.340 -0.000 0.000 0.420 485 R C -0.009 175.900 176.300 -0.652 0.000 0.866 485 R CA -0.054 55.750 56.100 -0.494 0.000 1.103 485 R CB -0.296 29.624 30.300 -0.633 0.000 1.657 485 R HN 0.572 nan 8.270 nan 0.000 0.562 486 Y N -1.630 118.525 120.300 -0.241 0.000 2.206 486 Y HA 0.253 4.803 4.550 -0.000 0.000 0.292 486 Y C 0.950 176.825 175.900 -0.041 0.000 1.123 486 Y CA 0.785 58.773 58.100 -0.186 0.000 1.142 486 Y CB 0.405 38.783 38.460 -0.137 0.000 1.006 486 Y HN -0.200 nan 8.280 nan 0.000 0.518 487 T N -1.463 113.213 114.554 0.204 0.000 2.916 487 T HA 0.129 4.479 4.350 -0.000 0.000 0.292 487 T C 0.002 174.849 174.700 0.244 0.000 1.055 487 T CA -0.664 61.567 62.100 0.219 0.000 1.009 487 T CB 1.461 70.441 68.868 0.186 0.000 1.118 487 T HN 0.075 nan 8.240 nan 0.000 0.497 488 Y N 2.411 122.785 120.300 0.124 0.000 2.114 488 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 488 Y C 2.718 178.683 175.900 0.107 0.000 1.165 488 Y CA 2.568 60.725 58.100 0.096 0.000 1.148 488 Y CB -0.580 37.884 38.460 0.006 0.000 0.972 488 Y HN 0.681 nan 8.280 nan 0.000 0.504 489 S N -0.946 114.833 115.700 0.131 0.000 2.419 489 S HA -0.189 4.280 4.470 -0.000 0.000 0.233 489 S C 2.123 176.729 174.600 0.010 0.000 1.016 489 S CA 1.266 59.503 58.200 0.061 0.000 0.974 489 S CB -1.154 62.182 63.200 0.227 0.000 0.786 489 S HN 0.597 nan 8.310 nan 0.000 0.492 490 S N 1.183 116.914 115.700 0.051 0.000 2.428 490 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 490 S C 1.784 176.402 174.600 0.031 0.000 1.014 490 S CA 1.092 59.321 58.200 0.050 0.000 0.957 490 S CB -1.269 61.995 63.200 0.105 0.000 0.784 490 S HN 0.590 nan 8.310 nan 0.000 0.499 491 T N 3.551 118.094 114.554 -0.019 0.000 2.668 491 T HA 0.102 4.452 4.350 -0.000 0.000 0.262 491 T C 1.781 176.437 174.700 -0.074 0.000 1.045 491 T CA 1.512 63.581 62.100 -0.051 0.000 1.152 491 T CB -0.666 68.145 68.868 -0.095 0.000 0.864 491 T HN 0.302 nan 8.240 nan 0.000 0.419 492 L N 1.107 122.225 121.223 -0.175 0.000 2.042 492 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 492 L C 2.915 179.742 176.870 -0.071 0.000 1.076 492 L CA 1.208 55.954 54.840 -0.156 0.000 0.749 492 L CB -0.698 41.228 42.059 -0.222 0.000 0.893 492 L HN 0.281 nan 8.230 nan 0.000 0.432 493 S N -1.274 114.403 115.700 -0.039 0.000 2.368 493 S HA -0.265 4.205 4.470 -0.000 0.000 0.225 493 S C 2.083 176.712 174.600 0.048 0.000 1.030 493 S CA 1.200 59.399 58.200 -0.002 0.000 0.999 493 S CB -0.370 62.833 63.200 0.005 0.000 0.844 493 S HN 0.543 nan 8.310 nan 0.000 0.459 494 H N -0.102 118.936 119.070 -0.054 0.000 2.462 494 H HA 0.113 4.668 4.556 -0.000 0.000 0.292 494 H C 1.896 177.193 175.328 -0.051 0.000 1.049 494 H CA 1.126 57.145 56.048 -0.047 0.000 1.334 494 H CB 0.019 29.756 29.762 -0.043 0.000 1.404 494 H HN 0.363 nan 8.280 nan 0.000 0.544 495 L N 0.193 121.367 121.223 -0.082 0.000 2.291 495 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 495 L C 1.805 178.613 176.870 -0.104 0.000 1.120 495 L CA 0.666 55.429 54.840 -0.129 0.000 0.799 495 L CB 0.039 42.049 42.059 -0.081 0.000 0.925 495 L HN 0.111 nan 8.230 nan 0.000 0.446 496 R N -0.121 120.338 120.500 -0.070 0.000 2.568 496 R HA 0.133 4.473 4.340 -0.000 0.000 0.288 496 R C 0.313 176.583 176.300 -0.052 0.000 1.077 496 R CA -0.179 55.887 56.100 -0.056 0.000 1.102 496 R CB 0.143 30.418 30.300 -0.041 0.000 1.278 496 R HN 0.170 nan 8.270 nan 0.000 0.560 497 R N 0.246 120.708 120.500 -0.065 0.000 2.457 497 R HA 0.220 4.560 4.340 -0.000 0.000 0.284 497 R C -0.782 175.489 176.300 -0.049 0.000 1.024 497 R CA 0.100 56.176 56.100 -0.040 0.000 1.025 497 R CB 1.299 31.598 30.300 -0.003 0.000 1.063 497 R HN -0.170 nan 8.270 nan 0.000 0.493 498 T N 2.873 117.409 114.554 -0.030 0.000 2.841 498 T HA 0.236 4.586 4.350 -0.000 0.000 0.285 498 T C -1.233 173.456 174.700 -0.018 0.000 0.991 498 T CA -0.665 61.422 62.100 -0.023 0.000 0.966 498 T CB 1.107 69.975 68.868 0.000 0.000 0.962 498 T HN 0.561 nan 8.240 nan 0.000 0.438 499 N N 1.698 120.383 118.700 -0.025 0.000 2.392 499 N HA 0.384 5.124 4.740 -0.000 0.000 0.283 499 N C -0.996 174.509 175.510 -0.008 0.000 1.003 499 N CA -0.395 52.643 53.050 -0.019 0.000 0.892 499 N CB 1.170 39.638 38.487 -0.032 0.000 1.193 499 N HN 0.366 nan 8.380 nan 0.000 0.487 500 T N 5.622 120.179 114.554 0.005 0.000 2.781 500 T HA 0.378 4.728 4.350 -0.000 0.000 0.305 500 T C -2.217 172.486 174.700 0.006 0.000 1.001 500 T CA -0.997 61.112 62.100 0.015 0.000 0.950 500 T CB 1.164 70.054 68.868 0.036 0.000 0.955 500 T HN 0.500 nan 8.240 nan 0.000 0.471 501 P HA 0.317 nan 4.420 nan 0.000 0.293 501 P C 1.453 178.755 177.300 0.004 0.000 1.298 501 P CA -0.534 62.566 63.100 -0.000 0.000 0.757 501 P CB 0.482 32.180 31.700 -0.003 0.000 1.262 502 I N -4.124 116.449 120.570 0.004 0.000 4.898 502 I HA -0.472 3.698 4.170 -0.000 0.000 0.039 502 I C 1.659 177.777 176.117 0.001 0.000 0.635 502 I CA 1.871 63.173 61.300 0.003 0.000 0.252 502 I CB -2.577 35.425 38.000 0.004 0.000 0.343 502 I HN 0.682 nan 8.210 nan 0.000 0.151 503 G N 0.864 109.664 108.800 0.000 0.000 2.245 503 G HA2 0.119 4.079 3.960 -0.000 0.000 0.264 503 G HA3 0.119 4.079 3.960 -0.000 0.000 0.264 503 G C 0.709 175.603 174.900 -0.010 0.000 0.985 503 G CA 2.317 47.414 45.100 -0.005 0.000 0.625 503 G HN 2.673 nan 8.290 nan 0.000 0.536 504 R N -2.254 118.243 120.500 -0.006 0.000 4.093 504 R HA 0.398 4.738 4.340 -0.000 0.000 0.398 504 R C 1.424 177.719 176.300 -0.008 0.000 0.243 504 R CA 2.070 58.166 56.100 -0.008 0.000 1.273 504 R CB -2.065 28.227 30.300 -0.013 0.000 1.180 504 R HN 2.123 nan 8.270 nan 0.000 0.470 505 D N -0.490 119.906 120.400 -0.007 0.000 2.077 505 D HA 0.426 5.066 4.640 -0.000 0.000 0.196 505 D C 1.461 177.755 176.300 -0.011 0.000 0.986 505 D CA 2.344 56.340 54.000 -0.007 0.000 0.829 505 D CB -0.055 40.742 40.800 -0.005 0.000 0.983 505 D HN 2.127 nan 8.370 nan 0.000 0.453 506 G N -3.117 105.674 108.800 -0.014 0.000 2.620 506 G HA2 0.773 4.733 3.960 -0.000 0.000 0.301 506 G HA3 0.773 4.733 3.960 -0.000 0.000 0.301 506 G C -0.091 174.793 174.900 -0.026 0.000 1.347 506 G CA 0.912 46.001 45.100 -0.020 0.000 0.971 506 G HN 1.164 nan 8.290 nan 0.000 0.488 507 K N -1.717 118.662 120.400 -0.036 0.000 8.676 507 K HA 0.583 4.903 4.320 -0.000 0.000 0.743 507 K C 1.289 177.853 176.600 -0.061 0.000 1.585 507 K CA 1.208 57.464 56.287 -0.052 0.000 0.921 507 K CB -2.096 30.374 32.500 -0.049 0.000 1.169 507 K HN 2.957 nan 8.250 nan 0.000 0.444 508 L N -3.438 117.736 121.223 -0.082 0.000 3.132 508 L HA 0.434 4.774 4.340 -0.000 0.000 0.337 508 L C 1.367 178.173 176.870 -0.107 0.000 1.073 508 L CA 2.753 57.538 54.840 -0.092 0.000 1.228 508 L CB -2.375 39.651 42.059 -0.054 0.000 1.124 508 L HN 3.055 nan 8.230 nan 0.000 0.475 509 A N -0.616 122.146 122.820 -0.096 0.000 3.245 509 A HA 0.832 5.152 4.320 -0.000 0.000 0.202 509 A C 0.735 178.290 177.584 -0.048 0.000 1.796 509 A CA 0.757 52.743 52.037 -0.086 0.000 1.861 509 A CB 0.335 19.273 19.000 -0.104 0.000 1.445 509 A HN 1.690 nan 8.150 nan 0.000 0.438 510 K N 0.886 121.265 120.400 -0.035 0.000 2.877 510 K HA 0.309 4.629 4.320 -0.000 0.000 0.176 510 K C -2.457 174.146 176.600 0.004 0.000 1.075 510 K CA -1.360 54.921 56.287 -0.010 0.000 0.939 510 K CB 1.439 33.941 32.500 0.003 0.000 1.237 510 K HN 0.296 nan 8.250 nan 0.000 0.607 511 P HA -0.191 nan 4.420 nan 0.000 0.219 511 P C 0.537 177.866 177.300 0.048 0.000 1.150 511 P CA 1.057 64.173 63.100 0.026 0.000 0.814 511 P CB 0.271 31.982 31.700 0.019 0.000 0.787 512 R N -0.925 119.594 120.500 0.031 0.000 2.275 512 R HA 0.118 4.458 4.340 -0.000 0.000 0.199 512 R C 0.949 177.272 176.300 0.038 0.000 0.989 512 R CA 0.001 56.117 56.100 0.026 0.000 1.016 512 R CB -0.799 29.509 30.300 0.012 0.000 0.918 512 R HN 0.131 nan 8.270 nan 0.000 0.473 513 Q N 1.698 121.532 119.800 0.057 0.000 2.337 513 Q HA 0.087 4.427 4.340 -0.000 0.000 0.270 513 Q C -0.764 175.313 176.000 0.130 0.000 1.002 513 Q CA -0.131 55.718 55.803 0.075 0.000 0.888 513 Q CB 0.881 29.668 28.738 0.081 0.000 1.222 513 Q HN 0.144 nan 8.270 nan 0.000 0.400 514 L N 4.275 125.562 121.223 0.108 0.000 2.477 514 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 514 L C -0.828 176.176 176.870 0.223 0.000 1.157 514 L CA 0.535 55.475 54.840 0.167 0.000 0.889 514 L CB -0.062 42.041 42.059 0.074 0.000 1.158 514 L HN 0.672 nan 8.230 nan 0.000 0.473 515 H N 3.616 122.825 119.070 0.232 0.000 2.525 515 H HA 0.401 4.957 4.556 -0.000 0.000 0.340 515 H C 0.973 176.249 175.328 -0.086 0.000 1.168 515 H CA -0.180 55.841 56.048 -0.045 0.000 1.247 515 H CB 0.994 30.592 29.762 -0.274 0.000 1.568 515 H HN 0.718 nan 8.280 nan 0.000 0.536 516 N N 0.759 118.939 118.700 -0.867 0.000 2.061 516 N HA -0.202 4.537 4.740 -0.000 0.000 0.193 516 N C 1.377 176.723 175.510 -0.273 0.000 1.030 516 N CA 2.195 54.948 53.050 -0.496 0.000 0.856 516 N CB -0.271 37.883 38.487 -0.556 0.000 1.023 516 N HN 0.775 nan 8.380 nan 0.000 0.424 517 T N -0.934 113.428 114.554 -0.320 0.000 2.977 517 T HA -0.118 4.232 4.350 -0.000 0.000 0.271 517 T C 1.416 176.117 174.700 0.002 0.000 1.105 517 T CA 0.971 63.039 62.100 -0.053 0.000 1.116 517 T CB -0.439 68.462 68.868 0.056 0.000 0.878 517 T HN 0.265 nan 8.240 nan 0.000 0.509 518 H N -0.508 118.518 119.070 -0.072 0.000 2.545 518 H HA 0.064 4.619 4.556 -0.000 0.000 0.282 518 H C 0.848 176.137 175.328 -0.065 0.000 1.020 518 H CA -0.024 55.870 56.048 -0.257 0.000 1.243 518 H CB -0.494 29.097 29.762 -0.284 0.000 1.377 518 H HN 0.583 nan 8.280 nan 0.000 0.581 519 W N 1.998 123.288 121.300 -0.017 0.000 2.347 519 W HA 0.142 4.802 4.660 -0.000 0.000 0.333 519 W C 0.863 177.380 176.519 -0.003 0.000 1.383 519 W CA 1.535 58.868 57.345 -0.021 0.000 1.283 519 W CB 0.124 29.558 29.460 -0.042 0.000 1.253 519 W HN 0.487 nan 8.180 nan 0.000 0.563 520 G N 4.066 112.483 108.800 -0.638 0.000 2.189 520 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.267 520 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.267 520 G C 0.614 175.404 174.900 -0.184 0.000 0.975 520 G CA 0.785 45.592 45.100 -0.488 0.000 0.644 520 G HN 0.578 nan 8.290 nan 0.000 0.537 521 L N -1.158 120.019 121.223 -0.076 0.000 2.519 521 L HA 0.390 4.730 4.340 -0.000 0.000 0.194 521 L C 0.971 177.825 176.870 -0.027 0.000 1.072 521 L CA 0.318 55.173 54.840 0.025 0.000 0.845 521 L CB 0.071 42.279 42.059 0.247 0.000 1.138 521 L HN 0.083 nan 8.230 nan 0.000 0.487 522 V N -0.413 119.440 119.914 -0.101 0.000 2.667 522 V HA 0.218 4.338 4.120 -0.000 0.000 0.308 522 V C -0.186 175.804 176.094 -0.173 0.000 1.048 522 V CA -1.187 61.011 62.300 -0.169 0.000 0.928 522 V CB 2.315 33.922 31.823 -0.359 0.000 1.004 522 V HN 0.276 nan 8.190 nan 0.000 0.444 523 C N 7.270 126.483 119.300 -0.146 0.000 2.634 523 C HA 0.222 4.682 4.460 -0.000 0.000 0.418 523 C C -0.055 174.859 174.990 -0.126 0.000 1.373 523 C CA -0.692 58.251 59.018 -0.124 0.000 1.756 523 C CB 0.267 27.951 27.740 -0.093 0.000 2.589 523 C HN 0.861 nan 8.230 nan 0.000 0.602 524 P HA -0.012 nan 4.420 nan 0.000 0.220 524 P C 1.003 178.269 177.300 -0.055 0.000 1.152 524 P CA 2.106 65.168 63.100 -0.062 0.000 0.812 524 P CB 0.110 31.799 31.700 -0.019 0.000 0.792 525 A N 0.352 123.140 122.820 -0.053 0.000 1.881 525 A HA 0.003 4.323 4.320 -0.000 0.000 0.210 525 A C 1.374 178.927 177.584 -0.052 0.000 1.239 525 A CA 0.019 52.026 52.037 -0.050 0.000 0.629 525 A CB -1.116 17.856 19.000 -0.046 0.000 0.906 525 A HN 0.171 nan 8.150 nan 0.000 0.460 526 E N 1.062 121.231 120.200 -0.053 0.000 2.463 526 E HA 0.234 4.584 4.350 -0.000 0.000 0.248 526 E C -0.498 176.075 176.600 -0.046 0.000 1.106 526 E CA 0.491 56.864 56.400 -0.044 0.000 0.946 526 E CB -0.083 29.590 29.700 -0.046 0.000 0.971 526 E HN 0.306 nan 8.360 nan 0.000 0.478 527 T N 4.475 119.012 114.554 -0.029 0.000 2.830 527 T HA 0.394 4.744 4.350 -0.000 0.000 0.322 527 T C -2.867 171.831 174.700 -0.004 0.000 1.501 527 T CA -1.417 60.667 62.100 -0.026 0.000 1.036 527 T CB 1.558 70.405 68.868 -0.036 0.000 1.379 527 T HN 0.328 nan 8.240 nan 0.000 0.493 528 P HA 0.405 nan 4.420 nan 0.000 0.282 528 P C -0.823 176.486 177.300 0.015 0.000 1.249 528 P CA -0.403 62.697 63.100 0.001 0.000 0.806 528 P CB 0.707 32.401 31.700 -0.011 0.000 0.984 529 E N 0.709 120.924 120.200 0.025 0.000 2.366 529 E HA 0.414 4.763 4.350 -0.000 0.000 0.266 529 E C 1.023 177.630 176.600 0.011 0.000 1.051 529 E CA -0.257 56.166 56.400 0.038 0.000 0.884 529 E CB 0.081 29.809 29.700 0.047 0.000 1.006 529 E HN 0.746 nan 8.360 nan 0.000 0.417 530 G N 1.947 110.756 108.800 0.015 0.000 2.578 530 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.275 530 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.275 530 G C 0.767 175.666 174.900 -0.002 0.000 1.271 530 G CA 0.669 45.770 45.100 0.003 0.000 0.941 530 G HN 0.913 nan 8.290 nan 0.000 0.564 531 Q N -2.429 117.367 119.800 -0.007 0.000 2.443 531 Q HA -0.369 3.971 4.340 -0.000 0.000 0.365 531 Q C 1.758 177.755 176.000 -0.005 0.000 1.971 531 Q CA 3.386 59.185 55.803 -0.008 0.000 0.829 531 Q CB -1.680 27.051 28.738 -0.011 0.000 1.126 531 Q HN 2.502 nan 8.270 nan 0.000 0.867 532 A N 0.493 123.309 122.820 -0.006 0.000 2.911 532 A HA 0.435 4.755 4.320 -0.000 0.000 0.304 532 A C -0.105 177.476 177.584 -0.005 0.000 1.144 532 A CA -0.047 51.987 52.037 -0.005 0.000 0.988 532 A CB 0.309 19.306 19.000 -0.005 0.000 1.141 532 A HN 0.537 nan 8.150 nan 0.000 0.552 533 C N -0.089 119.209 119.300 -0.003 0.000 2.637 533 C HA 0.505 4.965 4.460 -0.000 0.000 0.418 533 C C 1.935 176.921 174.990 -0.007 0.000 1.319 533 C CA 1.548 60.565 59.018 -0.002 0.000 1.949 533 C CB -0.846 26.898 27.740 0.007 0.000 2.639 533 C HN 1.749 nan 8.230 nan 0.000 0.594 534 G N 4.459 113.248 108.800 -0.018 0.000 2.396 534 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 534 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 534 G C 0.760 175.643 174.900 -0.028 0.000 1.069 534 G CA 0.692 45.775 45.100 -0.027 0.000 0.633 534 G HN 0.722 nan 8.290 nan 0.000 0.517 535 L N 0.334 121.548 121.223 -0.014 0.000 2.131 535 L HA 0.169 4.509 4.340 -0.000 0.000 0.206 535 L C 1.220 178.082 176.870 -0.014 0.000 1.087 535 L CA 0.815 55.652 54.840 -0.006 0.000 0.767 535 L CB -0.233 41.825 42.059 -0.001 0.000 0.917 535 L HN 0.174 nan 8.230 nan 0.000 0.441 536 V N 1.781 121.683 119.914 -0.020 0.000 2.334 536 V HA 0.170 4.290 4.120 -0.000 0.000 0.267 536 V C 0.097 176.167 176.094 -0.040 0.000 1.040 536 V CA -0.284 62.004 62.300 -0.021 0.000 0.866 536 V CB 0.868 32.685 31.823 -0.010 0.000 1.019 536 V HN 0.200 nan 8.190 nan 0.000 0.468 537 K N 3.596 123.966 120.400 -0.050 0.000 2.258 537 K HA 0.541 4.861 4.320 -0.000 0.000 0.236 537 K C -0.499 176.065 176.600 -0.062 0.000 1.008 537 K CA -0.892 55.344 56.287 -0.085 0.000 0.869 537 K CB 1.690 34.109 32.500 -0.135 0.000 1.171 537 K HN 0.512 nan 8.250 nan 0.000 0.447 538 N N 1.300 119.953 118.700 -0.078 0.000 2.314 538 N HA 0.297 5.037 4.740 -0.000 0.000 0.294 538 N C -0.973 174.497 175.510 -0.066 0.000 1.029 538 N CA -0.476 52.539 53.050 -0.058 0.000 0.845 538 N CB 1.394 39.851 38.487 -0.050 0.000 1.321 538 N HN 0.273 nan 8.380 nan 0.000 0.481 539 L N 1.782 122.977 121.223 -0.047 0.000 2.456 539 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 539 L C 1.193 178.031 176.870 -0.053 0.000 1.189 539 L CA -0.003 54.810 54.840 -0.044 0.000 0.846 539 L CB 0.569 42.604 42.059 -0.039 0.000 1.111 539 L HN 0.443 nan 8.230 nan 0.000 0.475 540 S N 2.119 117.779 115.700 -0.067 0.000 2.617 540 S HA 0.130 4.600 4.470 -0.000 0.000 0.255 540 S C 1.351 175.926 174.600 -0.041 0.000 1.318 540 S CA -0.633 57.520 58.200 -0.078 0.000 0.978 540 S CB 0.642 63.766 63.200 -0.127 0.000 0.961 540 S HN 0.486 nan 8.310 nan 0.000 0.582 541 L N 0.108 121.319 121.223 -0.020 0.000 2.109 541 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 541 L C 2.066 178.988 176.870 0.087 0.000 1.086 541 L CA 1.263 56.163 54.840 0.101 0.000 0.760 541 L CB -0.261 41.902 42.059 0.173 0.000 0.910 541 L HN 0.626 nan 8.230 nan 0.000 0.437 542 M N -0.915 118.577 119.600 -0.179 0.000 2.414 542 M HA 0.063 4.542 4.480 -0.000 0.000 0.251 542 M C 0.966 177.084 176.300 -0.305 0.000 1.116 542 M CA -0.054 54.939 55.300 -0.511 0.000 1.056 542 M CB 0.414 32.516 32.600 -0.830 0.000 1.388 542 M HN 0.172 nan 8.290 nan 0.000 0.487 543 S N -0.057 115.533 115.700 -0.184 0.000 2.568 543 S HA 0.226 4.696 4.470 -0.000 0.000 0.282 543 S C -0.015 174.436 174.600 -0.248 0.000 1.338 543 S CA -0.731 57.353 58.200 -0.194 0.000 1.045 543 S CB 0.700 63.824 63.200 -0.128 0.000 0.873 543 S HN 0.358 nan 8.310 nan 0.000 0.516 544 C N 1.473 120.452 119.300 -0.534 0.000 3.256 544 C HA 0.737 5.197 4.460 -0.000 0.000 0.361 544 C C -0.282 174.219 174.990 -0.815 0.000 1.665 544 C CA -0.907 57.706 59.018 -0.674 0.000 1.445 544 C CB 0.719 27.944 27.740 -0.859 0.000 2.144 544 C HN 0.928 nan 8.230 nan 0.000 0.448 545 I N 1.372 121.584 120.570 -0.597 0.000 2.619 545 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 545 I C 0.072 176.194 176.117 0.007 0.000 1.100 545 I CA 0.103 61.226 61.300 -0.295 0.000 1.043 545 I CB 2.227 40.138 38.000 -0.148 0.000 1.239 545 I HN 0.834 nan 8.210 nan 0.000 0.420 546 S N 4.224 120.065 115.700 0.235 0.000 2.560 546 S HA 0.120 4.590 4.470 -0.000 0.000 0.284 546 S C 0.412 175.063 174.600 0.084 0.000 1.327 546 S CA -0.525 57.820 58.200 0.241 0.000 1.055 546 S CB 1.704 64.991 63.200 0.145 0.000 0.868 546 S HN 0.497 nan 8.310 nan 0.000 0.506 547 V N 2.585 122.534 119.914 0.057 0.000 3.263 547 V HA 0.471 4.591 4.120 -0.000 0.000 0.248 547 V C 1.069 177.155 176.094 -0.014 0.000 1.145 547 V CA 1.214 63.523 62.300 0.014 0.000 1.107 547 V CB -0.335 31.490 31.823 0.003 0.000 0.797 547 V HN 1.577 nan 8.190 nan 0.000 0.467 548 G N 0.405 109.192 108.800 -0.023 0.000 3.367 548 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.686 548 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.686 548 G C -0.434 174.417 174.900 -0.083 0.000 1.146 548 G CA -0.253 44.824 45.100 -0.039 0.000 0.913 548 G HN 0.301 nan 8.290 nan 0.000 0.554 549 T N 1.887 116.402 114.554 -0.065 0.000 2.949 549 T HA 0.600 4.950 4.350 -0.000 0.000 0.287 549 T C -0.154 174.509 174.700 -0.061 0.000 1.034 549 T CA -0.622 61.426 62.100 -0.087 0.000 1.018 549 T CB 1.831 70.655 68.868 -0.074 0.000 1.135 549 T HN 0.640 nan 8.240 nan 0.000 0.532 550 D N 1.914 122.277 120.400 -0.061 0.000 2.383 550 D HA 0.134 4.773 4.640 -0.000 0.000 0.252 550 D C -1.215 175.068 176.300 -0.028 0.000 1.166 550 D CA -1.804 52.175 54.000 -0.034 0.000 0.879 550 D CB 1.474 42.259 40.800 -0.024 0.000 1.164 550 D HN 0.134 nan 8.370 nan 0.000 0.462 551 P HA -0.055 nan 4.420 nan 0.000 0.221 551 P C 1.785 179.063 177.300 -0.037 0.000 1.155 551 P CA 0.637 63.725 63.100 -0.020 0.000 0.812 551 P CB 0.345 32.048 31.700 0.005 0.000 0.801 552 M N 0.655 120.243 119.600 -0.020 0.000 2.082 552 M HA -0.096 4.384 4.480 -0.000 0.000 0.258 552 M C -0.398 175.897 176.300 -0.009 0.000 1.069 552 M CA 2.751 58.042 55.300 -0.014 0.000 1.102 552 M CB -2.361 30.241 32.600 0.004 0.000 1.336 552 M HN -0.007 nan 8.290 nan 0.000 0.404 553 P HA -0.094 nan 4.420 nan 0.000 0.225 553 P C 1.228 178.540 177.300 0.019 0.000 1.148 553 P CA 1.406 64.512 63.100 0.010 0.000 0.779 553 P CB -0.256 31.439 31.700 -0.008 0.000 0.780 554 I N -0.994 119.565 120.570 -0.019 0.000 2.494 554 I HA -0.080 4.090 4.170 -0.000 0.000 0.250 554 I C 2.475 178.599 176.117 0.012 0.000 1.112 554 I CA 0.580 61.870 61.300 -0.015 0.000 1.438 554 I CB -0.461 37.492 38.000 -0.079 0.000 1.111 554 I HN -0.233 nan 8.210 nan 0.000 0.431 555 I N 0.641 121.169 120.570 -0.071 0.000 2.264 555 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 555 I C 2.488 178.582 176.117 -0.038 0.000 1.111 555 I CA 1.480 62.696 61.300 -0.140 0.000 1.382 555 I CB -0.757 37.103 38.000 -0.233 0.000 1.060 555 I HN 0.236 nan 8.210 nan 0.000 0.418 556 T N 0.893 115.458 114.554 0.019 0.000 2.614 556 T HA -0.221 4.129 4.350 -0.000 0.000 0.263 556 T C 1.716 176.472 174.700 0.094 0.000 1.055 556 T CA 1.623 63.754 62.100 0.053 0.000 1.162 556 T CB -0.537 68.372 68.868 0.068 0.000 0.863 556 T HN 0.336 nan 8.240 nan 0.000 0.414 557 F N 1.423 121.369 119.950 -0.007 0.000 2.236 557 F HA -0.119 4.408 4.527 -0.000 0.000 0.302 557 F C 1.842 177.658 175.800 0.026 0.000 1.073 557 F CA 1.022 59.035 58.000 0.021 0.000 1.336 557 F CB -0.376 38.586 39.000 -0.065 0.000 1.040 557 F HN 0.081 nan 8.300 nan 0.000 0.507 558 L N -0.208 121.061 121.223 0.075 0.000 2.005 558 L HA -0.230 4.110 4.340 -0.000 0.000 0.207 558 L C 2.748 179.557 176.870 -0.101 0.000 1.072 558 L CA 1.643 56.456 54.840 -0.044 0.000 0.744 558 L CB -0.906 41.123 42.059 -0.049 0.000 0.895 558 L HN 0.271 nan 8.230 nan 0.000 0.433 559 S N -1.332 114.331 115.700 -0.062 0.000 2.515 559 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 559 S C 1.538 176.099 174.600 -0.065 0.000 0.987 559 S CA 0.684 58.849 58.200 -0.059 0.000 0.936 559 S CB -0.304 62.875 63.200 -0.035 0.000 0.766 559 S HN 0.445 nan 8.310 nan 0.000 0.528 560 E N -0.695 119.465 120.200 -0.067 0.000 2.481 560 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 560 E C -0.357 176.113 176.600 -0.217 0.000 1.047 560 E CA 0.221 56.555 56.400 -0.109 0.000 0.867 560 E CB 0.095 29.757 29.700 -0.063 0.000 0.858 560 E HN 0.743 nan 8.360 nan 0.000 0.513 561 W N 0.378 121.464 121.300 -0.356 0.000 1.894 561 W HA 0.347 5.006 4.660 -0.000 0.000 0.342 561 W C 0.734 177.126 176.519 -0.211 0.000 0.861 561 W CA 0.229 57.385 57.345 -0.316 0.000 2.584 561 W CB 0.980 30.152 29.460 -0.480 0.000 1.373 561 W HN 0.126 nan 8.180 nan 0.000 0.599 562 G N 0.716 109.517 108.800 0.002 0.000 2.713 562 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 562 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 562 G C 0.313 175.217 174.900 0.008 0.000 1.265 562 G CA -0.306 44.863 45.100 0.115 0.000 1.204 562 G HN 0.389 nan 8.290 nan 0.000 0.545 563 M N 1.376 120.943 119.600 -0.056 0.000 3.179 563 M HA -0.123 4.356 4.480 -0.000 0.000 0.169 563 M C -0.107 176.175 176.300 -0.031 0.000 1.319 563 M CA 1.497 56.754 55.300 -0.072 0.000 0.819 563 M CB -1.332 31.190 32.600 -0.130 0.000 1.251 563 M HN 0.523 nan 8.290 nan 0.000 0.673 564 E N 4.692 124.893 120.200 0.002 0.000 2.383 564 E HA 0.144 4.494 4.350 -0.000 0.000 0.257 564 E C -1.984 174.554 176.600 -0.103 0.000 1.079 564 E CA -1.494 54.884 56.400 -0.036 0.000 0.934 564 E CB -0.013 29.677 29.700 -0.017 0.000 0.978 564 E HN 0.396 nan 8.360 nan 0.000 0.462 565 P HA -0.136 nan 4.420 nan 0.000 0.265 565 P C 0.572 177.741 177.300 -0.218 0.000 1.187 565 P CA -0.006 63.015 63.100 -0.131 0.000 0.766 565 P CB 0.643 32.298 31.700 -0.075 0.000 0.820 566 L N 3.077 124.087 121.223 -0.355 0.000 2.349 566 L HA -0.199 4.141 4.340 -0.000 0.000 0.220 566 L C 2.041 178.653 176.870 -0.429 0.000 1.130 566 L CA 1.757 56.226 54.840 -0.618 0.000 0.791 566 L CB -0.844 40.687 42.059 -0.881 0.000 0.918 566 L HN 0.300 nan 8.230 nan 0.000 0.444 567 E N -0.418 119.675 120.200 -0.178 0.000 2.058 567 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 567 E C 0.654 177.266 176.600 0.020 0.000 0.997 567 E CA 1.346 57.736 56.400 -0.018 0.000 0.801 567 E CB -0.455 29.236 29.700 -0.015 0.000 0.746 567 E HN 0.576 nan 8.360 nan 0.000 0.450 568 D N 0.287 120.672 120.400 -0.025 0.000 2.894 568 D HA 0.013 4.653 4.640 -0.000 0.000 0.248 568 D C -0.557 175.756 176.300 0.022 0.000 1.291 568 D CA -0.210 53.791 54.000 0.002 0.000 0.840 568 D CB -0.453 40.339 40.800 -0.013 0.000 1.044 568 D HN 0.062 nan 8.370 nan 0.000 0.484 569 Y N 1.497 121.701 120.300 -0.160 0.000 2.350 569 Y HA 0.254 4.804 4.550 -0.000 0.000 0.340 569 Y C -0.483 175.369 175.900 -0.081 0.000 1.006 569 Y CA -1.018 56.964 58.100 -0.198 0.000 1.166 569 Y CB 0.739 38.945 38.460 -0.424 0.000 1.168 569 Y HN -0.232 nan 8.280 nan 0.000 0.502 570 V N 9.944 129.602 119.914 -0.427 0.000 2.284 570 V HA 0.251 4.371 4.120 -0.000 0.000 0.274 570 V C -1.782 173.894 176.094 -0.696 0.000 1.023 570 V CA -1.480 60.535 62.300 -0.474 0.000 0.808 570 V CB 1.046 32.679 31.823 -0.318 0.000 1.035 570 V HN 0.674 nan 8.190 nan 0.000 0.445 571 P HA -0.203 nan 4.420 nan 0.000 0.215 571 P C 1.309 178.531 177.300 -0.130 0.000 1.153 571 P CA 1.734 64.502 63.100 -0.553 0.000 0.853 571 P CB 0.000 31.582 31.700 -0.197 0.000 0.788 572 H N -0.832 118.166 119.070 -0.120 0.000 2.555 572 H HA 0.095 4.651 4.556 -0.000 0.000 0.269 572 H C 1.737 177.041 175.328 -0.041 0.000 0.988 572 H CA 0.602 56.625 56.048 -0.041 0.000 1.178 572 H CB -0.472 29.275 29.762 -0.025 0.000 1.373 572 H HN 0.251 nan 8.280 nan 0.000 0.588 573 Q N 0.959 120.422 119.800 -0.561 0.000 2.373 573 Q HA 0.127 4.467 4.340 -0.000 0.000 0.210 573 Q C -0.030 175.867 176.000 -0.171 0.000 0.913 573 Q CA 0.217 55.784 55.803 -0.394 0.000 0.911 573 Q CB 0.802 29.266 28.738 -0.457 0.000 1.040 573 Q HN 0.206 nan 8.270 nan 0.000 0.521 574 S N 1.785 117.413 115.700 -0.121 0.000 2.158 574 S HA 0.238 4.708 4.470 -0.000 0.000 0.160 574 S C -2.250 172.388 174.600 0.063 0.000 1.693 574 S CA -0.975 57.222 58.200 -0.005 0.000 1.251 574 S CB 1.556 64.785 63.200 0.049 0.000 1.153 574 S HN 0.292 nan 8.310 nan 0.000 0.439 575 P HA 0.005 nan 4.420 nan 0.000 0.217 575 P C 0.344 177.693 177.300 0.081 0.000 1.154 575 P CA 0.919 64.069 63.100 0.083 0.000 0.841 575 P CB 0.112 31.853 31.700 0.068 0.000 0.790 576 D N 0.261 120.692 120.400 0.051 0.000 2.371 576 D HA 0.112 4.752 4.640 -0.000 0.000 0.234 576 D C 0.852 177.171 176.300 0.030 0.000 1.049 576 D CA 0.336 54.358 54.000 0.037 0.000 0.907 576 D CB -0.167 40.643 40.800 0.017 0.000 0.891 576 D HN 0.180 nan 8.370 nan 0.000 0.531 577 A N 0.425 123.275 122.820 0.050 0.000 2.327 577 A HA 0.441 4.761 4.320 -0.000 0.000 0.283 577 A C 0.473 178.079 177.584 0.036 0.000 1.127 577 A CA -0.305 51.751 52.037 0.032 0.000 0.810 577 A CB 0.751 19.786 19.000 0.059 0.000 1.066 577 A HN -0.045 nan 8.150 nan 0.000 0.492 578 T N 2.208 116.771 114.554 0.016 0.000 2.875 578 T HA 0.489 4.839 4.350 -0.000 0.000 0.284 578 T C 0.174 174.886 174.700 0.020 0.000 0.995 578 T CA -0.414 61.706 62.100 0.033 0.000 1.060 578 T CB 0.635 69.533 68.868 0.050 0.000 0.967 578 T HN 0.698 nan 8.240 nan 0.000 0.476 579 R N 1.387 121.894 120.500 0.013 0.000 2.229 579 R HA 0.650 4.990 4.340 -0.000 0.000 0.332 579 R C -1.149 175.108 176.300 -0.073 0.000 0.989 579 R CA -0.769 55.336 56.100 0.008 0.000 0.842 579 R CB 0.437 30.722 30.300 -0.026 0.000 1.119 579 R HN 0.277 nan 8.270 nan 0.000 0.456 580 V N 4.521 124.406 119.914 -0.049 0.000 2.509 580 V HA 0.373 4.493 4.120 -0.000 0.000 0.284 580 V C -0.525 175.459 176.094 -0.183 0.000 1.047 580 V CA -0.329 61.945 62.300 -0.044 0.000 0.952 580 V CB 0.717 32.538 31.823 -0.003 0.000 0.988 580 V HN 0.581 nan 8.190 nan 0.000 0.469 581 F N 3.097 123.039 119.950 -0.013 0.000 2.482 581 F HA 0.643 5.170 4.527 -0.000 0.000 0.331 581 F C -0.076 175.694 175.800 -0.049 0.000 1.115 581 F CA -0.722 57.270 58.000 -0.012 0.000 0.955 581 F CB 2.087 40.993 39.000 -0.158 0.000 1.136 581 F HN 0.140 nan 8.300 nan 0.000 0.452 582 V N 3.881 123.954 119.914 0.266 0.000 2.443 582 V HA 0.289 4.408 4.120 -0.000 0.000 0.293 582 V C -0.467 175.755 176.094 0.214 0.000 1.021 582 V CA -1.169 61.202 62.300 0.118 0.000 0.848 582 V CB 1.423 33.228 31.823 -0.030 0.000 0.998 582 V HN 0.823 nan 8.190 nan 0.000 0.424 583 N N 4.517 123.306 118.700 0.149 0.000 2.714 583 N HA -0.225 4.515 4.740 -0.000 0.000 0.252 583 N C 1.223 176.942 175.510 0.349 0.000 1.014 583 N CA 1.601 54.849 53.050 0.330 0.000 0.735 583 N CB -0.955 37.687 38.487 0.259 0.000 0.924 583 N HN 1.471 nan 8.380 nan 0.000 0.540 584 G N -3.207 105.806 108.800 0.354 0.000 2.234 584 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 584 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 584 G C 0.119 175.364 174.900 0.574 0.000 0.987 584 G CA 0.395 45.730 45.100 0.392 0.000 0.625 584 G HN 0.517 nan 8.290 nan 0.000 0.532 585 V N 0.587 120.792 119.914 0.485 0.000 2.567 585 V HA 0.557 4.677 4.120 -0.000 0.000 0.289 585 V C 0.312 176.619 176.094 0.356 0.000 1.049 585 V CA -0.709 61.809 62.300 0.363 0.000 0.969 585 V CB 1.538 33.398 31.823 0.061 0.000 0.995 585 V HN 0.295 nan 8.190 nan 0.000 0.471 586 W N 4.684 125.975 121.300 -0.016 0.000 2.387 586 W HA 0.394 5.054 4.660 -0.000 0.000 0.310 586 W C 0.899 177.171 176.519 -0.411 0.000 1.181 586 W CA -0.806 56.266 57.345 -0.455 0.000 1.333 586 W CB -0.000 29.156 29.460 -0.506 0.000 1.286 586 W HN 0.682 nan 8.180 nan 0.000 0.455 587 H N 3.537 122.563 119.070 -0.074 0.000 2.551 587 H HA 0.279 4.835 4.556 -0.000 0.000 0.271 587 H C 1.146 176.293 175.328 -0.301 0.000 0.984 587 H CA 1.003 56.961 56.048 -0.150 0.000 1.164 587 H CB 0.733 30.454 29.762 -0.067 0.000 1.437 587 H HN 0.586 nan 8.280 nan 0.000 0.550 588 G N 0.174 108.714 108.800 -0.433 0.000 2.291 588 G HA2 0.059 4.019 3.960 -0.000 0.000 0.249 588 G HA3 0.059 4.019 3.960 -0.000 0.000 0.249 588 G C -1.603 173.021 174.900 -0.459 0.000 1.340 588 G CA -0.291 44.463 45.100 -0.576 0.000 1.017 588 G HN 0.074 nan 8.290 nan 0.000 0.470 589 V N -0.208 119.496 119.914 -0.350 0.000 3.040 589 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 589 V C -0.826 175.261 176.094 -0.011 0.000 1.115 589 V CA -0.598 61.559 62.300 -0.238 0.000 0.998 589 V CB 2.100 33.646 31.823 -0.462 0.000 1.042 589 V HN 1.362 nan 8.190 nan 0.000 0.433 590 H N 1.751 120.771 119.070 -0.084 0.000 3.240 590 H HA 0.485 5.041 4.556 -0.000 0.000 0.329 590 H C -0.403 174.921 175.328 -0.008 0.000 1.024 590 H CA -0.600 55.427 56.048 -0.035 0.000 1.487 590 H CB 0.957 30.708 29.762 -0.019 0.000 1.909 590 H HN 0.668 nan 8.280 nan 0.000 0.465 591 R N 3.052 123.345 120.500 -0.344 0.000 2.679 591 R HA 0.197 4.537 4.340 -0.000 0.000 0.269 591 R C 0.116 176.095 176.300 -0.535 0.000 1.076 591 R CA -0.395 55.519 56.100 -0.309 0.000 1.160 591 R CB 0.207 30.404 30.300 -0.171 0.000 1.054 591 R HN 0.778 nan 8.270 nan 0.000 0.507 592 N N 0.923 119.462 118.700 -0.267 0.000 2.696 592 N HA -0.094 4.645 4.740 -0.000 0.000 0.256 592 N C -1.753 173.665 175.510 -0.153 0.000 1.031 592 N CA 0.337 53.280 53.050 -0.177 0.000 0.730 592 N CB -0.275 38.139 38.487 -0.122 0.000 0.894 592 N HN 0.546 nan 8.380 nan 0.000 0.544 593 P HA -0.017 nan 4.420 nan 0.000 0.229 593 P C 1.197 178.572 177.300 0.124 0.000 1.160 593 P CA 1.214 64.395 63.100 0.136 0.000 0.777 593 P CB -0.028 31.741 31.700 0.115 0.000 0.814 594 A N 1.109 123.970 122.820 0.068 0.000 1.940 594 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 594 A C 2.413 180.044 177.584 0.079 0.000 1.176 594 A CA 1.311 53.385 52.037 0.062 0.000 0.631 594 A CB -1.002 18.021 19.000 0.040 0.000 0.814 594 A HN 0.105 nan 8.150 nan 0.000 0.446 595 R N -1.299 119.264 120.500 0.106 0.000 2.073 595 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 595 R C 2.139 178.531 176.300 0.153 0.000 1.120 595 R CA 1.163 57.343 56.100 0.134 0.000 0.967 595 R CB -0.550 29.849 30.300 0.164 0.000 0.862 595 R HN 0.498 nan 8.270 nan 0.000 0.436 596 L N 0.912 122.260 121.223 0.209 0.000 2.012 596 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 596 L C 2.285 179.186 176.870 0.052 0.000 1.073 596 L CA 1.776 56.704 54.840 0.146 0.000 0.748 596 L CB -0.457 41.712 42.059 0.182 0.000 0.891 596 L HN 0.082 nan 8.230 nan 0.000 0.431 597 M N -0.023 119.617 119.600 0.067 0.000 2.073 597 M HA -0.263 4.217 4.480 -0.000 0.000 0.258 597 M C 2.317 178.619 176.300 0.003 0.000 1.070 597 M CA 2.302 57.621 55.300 0.032 0.000 1.103 597 M CB -0.600 32.027 32.600 0.045 0.000 1.321 597 M HN 0.497 nan 8.290 nan 0.000 0.405 598 E N -1.593 118.615 120.200 0.014 0.000 2.110 598 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 598 E C 1.582 178.160 176.600 -0.037 0.000 0.988 598 E CA 1.875 58.273 56.400 -0.002 0.000 0.804 598 E CB -0.074 29.637 29.700 0.019 0.000 0.745 598 E HN 0.587 nan 8.360 nan 0.000 0.458 599 T N 1.369 115.889 114.554 -0.057 0.000 2.684 599 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 599 T C 1.895 176.486 174.700 -0.182 0.000 1.036 599 T CA 1.332 63.341 62.100 -0.152 0.000 1.148 599 T CB -0.265 68.399 68.868 -0.339 0.000 0.863 599 T HN 0.145 nan 8.240 nan 0.000 0.436 600 L N 0.311 121.443 121.223 -0.151 0.000 2.012 600 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 600 L C 2.953 179.722 176.870 -0.170 0.000 1.073 600 L CA 1.537 56.260 54.840 -0.194 0.000 0.748 600 L CB -0.476 41.512 42.059 -0.119 0.000 0.891 600 L HN 0.151 nan 8.230 nan 0.000 0.431 601 R N -0.817 119.621 120.500 -0.103 0.000 2.096 601 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 601 R C 2.270 178.514 176.300 -0.093 0.000 1.127 601 R CA 1.803 57.856 56.100 -0.079 0.000 0.968 601 R CB -0.629 29.649 30.300 -0.036 0.000 0.861 601 R HN 0.353 nan 8.270 nan 0.000 0.440 602 T N 1.509 116.005 114.554 -0.095 0.000 2.788 602 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 602 T C 1.806 176.433 174.700 -0.122 0.000 1.044 602 T CA 0.965 63.010 62.100 -0.091 0.000 1.139 602 T CB -0.068 68.757 68.868 -0.071 0.000 0.867 602 T HN 0.148 nan 8.240 nan 0.000 0.454 603 L N 0.355 121.472 121.223 -0.176 0.000 2.156 603 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 603 L C 2.896 179.649 176.870 -0.194 0.000 1.095 603 L CA 0.982 55.691 54.840 -0.219 0.000 0.770 603 L CB -0.447 41.388 42.059 -0.373 0.000 0.914 603 L HN 0.179 nan 8.230 nan 0.000 0.439 604 R N 0.709 121.102 120.500 -0.178 0.000 2.066 604 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 604 R C 2.348 178.563 176.300 -0.141 0.000 1.131 604 R CA 1.367 57.376 56.100 -0.152 0.000 0.955 604 R CB -0.008 30.215 30.300 -0.128 0.000 0.851 604 R HN 0.274 nan 8.270 nan 0.000 0.432 605 R N -0.025 120.398 120.500 -0.128 0.000 2.189 605 R HA -0.041 4.298 4.340 -0.000 0.000 0.218 605 R C 2.229 178.457 176.300 -0.120 0.000 1.074 605 R CA 1.000 57.024 56.100 -0.127 0.000 0.991 605 R CB -0.046 30.192 30.300 -0.103 0.000 0.883 605 R HN 0.148 nan 8.270 nan 0.000 0.457 606 K N -0.472 119.864 120.400 -0.107 0.000 2.243 606 K HA -0.041 4.279 4.320 -0.000 0.000 0.201 606 K C 0.790 177.335 176.600 -0.092 0.000 1.051 606 K CA 1.159 57.393 56.287 -0.089 0.000 0.970 606 K CB 0.414 32.869 32.500 -0.075 0.000 0.755 606 K HN 0.310 nan 8.250 nan 0.000 0.465 607 G N 0.519 109.254 108.800 -0.109 0.000 2.192 607 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.193 607 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.193 607 G C 0.366 175.207 174.900 -0.100 0.000 0.999 607 G CA 0.260 45.299 45.100 -0.101 0.000 0.659 607 G HN 0.315 nan 8.290 nan 0.000 0.503 608 D N 0.318 120.646 120.400 -0.119 0.000 2.123 608 D HA 0.063 4.703 4.640 -0.000 0.000 0.200 608 D C 1.376 177.576 176.300 -0.166 0.000 0.976 608 D CA 0.803 54.724 54.000 -0.133 0.000 0.831 608 D CB 0.395 41.103 40.800 -0.153 0.000 0.974 608 D HN 0.501 nan 8.370 nan 0.000 0.469 609 I N 1.691 122.143 120.570 -0.197 0.000 2.336 609 I HA 0.052 4.222 4.170 -0.000 0.000 0.292 609 I C 0.620 176.655 176.117 -0.137 0.000 0.991 609 I CA -0.760 60.425 61.300 -0.191 0.000 1.227 609 I CB 1.194 39.048 38.000 -0.243 0.000 1.366 609 I HN -0.180 nan 8.210 nan 0.000 0.466 610 N N 8.066 126.701 118.700 -0.108 0.000 2.217 610 N HA -0.060 4.680 4.740 -0.000 0.000 0.268 610 N C -1.732 173.731 175.510 -0.077 0.000 1.290 610 N CA -0.598 52.405 53.050 -0.078 0.000 0.831 610 N CB 1.171 39.617 38.487 -0.067 0.000 1.057 610 N HN 0.318 nan 8.380 nan 0.000 0.481 611 P HA -0.114 nan 4.420 nan 0.000 0.218 611 P C 0.775 178.050 177.300 -0.041 0.000 1.148 611 P CA 1.232 64.292 63.100 -0.066 0.000 0.822 611 P CB 0.297 31.946 31.700 -0.084 0.000 0.784 612 E N -0.499 119.669 120.200 -0.053 0.000 2.038 612 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 612 E C 0.303 176.807 176.600 -0.160 0.000 1.000 612 E CA 0.576 56.846 56.400 -0.218 0.000 0.803 612 E CB -0.556 29.068 29.700 -0.127 0.000 0.750 612 E HN -0.023 nan 8.360 nan 0.000 0.448 613 V N 2.722 122.587 119.914 -0.082 0.000 2.678 613 V HA -0.117 4.003 4.120 -0.000 0.000 0.304 613 V C 0.419 176.495 176.094 -0.030 0.000 1.086 613 V CA 0.501 62.777 62.300 -0.040 0.000 1.246 613 V CB 0.149 31.939 31.823 -0.054 0.000 0.861 613 V HN 0.214 nan 8.190 nan 0.000 0.491 614 S N 6.350 122.069 115.700 0.032 0.000 2.525 614 S HA 0.815 5.284 4.470 -0.000 0.000 0.290 614 S C -0.699 173.927 174.600 0.043 0.000 1.152 614 S CA -0.933 57.299 58.200 0.054 0.000 1.072 614 S CB 1.408 64.681 63.200 0.122 0.000 1.027 614 S HN 0.595 nan 8.310 nan 0.000 0.500 615 M N 3.310 122.922 119.600 0.020 0.000 2.035 615 M HA 0.410 4.890 4.480 -0.000 0.000 0.286 615 M C -1.703 174.606 176.300 0.014 0.000 0.907 615 M CA -0.346 54.950 55.300 -0.006 0.000 0.935 615 M CB 1.276 33.863 32.600 -0.022 0.000 1.557 615 M HN 0.542 nan 8.290 nan 0.000 0.426 616 I N 2.906 123.479 120.570 0.004 0.000 2.354 616 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 616 I C 0.165 176.293 176.117 0.017 0.000 0.989 616 I CA -0.260 61.054 61.300 0.024 0.000 1.188 616 I CB 1.370 39.387 38.000 0.028 0.000 1.342 616 I HN 0.572 nan 8.210 nan 0.000 0.457 617 R N 4.686 125.207 120.500 0.035 0.000 2.312 617 R HA 0.192 4.532 4.340 -0.000 0.000 0.310 617 R C -0.790 175.534 176.300 0.041 0.000 1.064 617 R CA -0.456 55.667 56.100 0.038 0.000 0.983 617 R CB 0.536 30.862 30.300 0.043 0.000 1.139 617 R HN 0.572 nan 8.270 nan 0.000 0.536 618 D N 6.067 126.489 120.400 0.036 0.000 2.508 618 D HA 0.031 4.671 4.640 -0.000 0.000 0.224 618 D C 1.543 177.866 176.300 0.038 0.000 1.171 618 D CA -0.009 54.012 54.000 0.036 0.000 1.006 618 D CB 0.322 41.138 40.800 0.027 0.000 1.073 618 D HN 0.617 nan 8.370 nan 0.000 0.513 619 I N 1.873 122.466 120.570 0.038 0.000 2.145 619 I HA -0.371 3.798 4.170 -0.000 0.000 0.244 619 I C 2.296 178.434 176.117 0.035 0.000 1.075 619 I CA 1.336 62.658 61.300 0.037 0.000 1.332 619 I CB -0.071 37.949 38.000 0.033 0.000 1.033 619 I HN 0.219 nan 8.210 nan 0.000 0.410 620 R N 0.014 120.534 120.500 0.033 0.000 2.189 620 R HA -0.146 4.194 4.340 -0.000 0.000 0.223 620 R C 2.033 178.355 176.300 0.036 0.000 1.092 620 R CA 0.809 56.928 56.100 0.031 0.000 0.989 620 R CB -0.162 30.154 30.300 0.026 0.000 0.876 620 R HN 0.215 nan 8.270 nan 0.000 0.457 621 E N 0.856 121.079 120.200 0.038 0.000 2.385 621 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 621 E C -0.370 176.264 176.600 0.057 0.000 1.013 621 E CA 0.345 56.771 56.400 0.044 0.000 0.866 621 E CB 0.214 29.935 29.700 0.035 0.000 0.832 621 E HN 0.037 nan 8.360 nan 0.000 0.500 622 K N 0.680 121.113 120.400 0.054 0.000 3.181 622 K HA -0.192 4.128 4.320 -0.000 0.000 0.269 622 K C -0.897 175.742 176.600 0.066 0.000 1.097 622 K CA 0.730 57.052 56.287 0.058 0.000 0.783 622 K CB -1.565 30.973 32.500 0.064 0.000 1.267 622 K HN 0.220 nan 8.250 nan 0.000 0.484 623 E N 0.410 120.651 120.200 0.068 0.000 2.314 623 E HA 0.471 4.821 4.350 -0.000 0.000 0.272 623 E C -1.415 175.235 176.600 0.083 0.000 0.884 623 E CA -1.118 55.340 56.400 0.097 0.000 0.753 623 E CB 1.923 31.687 29.700 0.107 0.000 1.213 623 E HN 0.087 nan 8.360 nan 0.000 0.432 624 L N 2.682 123.969 121.223 0.107 0.000 2.377 624 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 624 L C -1.422 175.489 176.870 0.068 0.000 0.991 624 L CA -0.390 54.489 54.840 0.066 0.000 0.851 624 L CB 0.906 43.001 42.059 0.059 0.000 1.218 624 L HN 0.358 nan 8.230 nan 0.000 0.420 625 K N 6.356 126.742 120.400 -0.022 0.000 2.235 625 K HA 0.594 4.913 4.320 -0.000 0.000 0.266 625 K C -0.977 175.469 176.600 -0.257 0.000 0.980 625 K CA -0.492 55.693 56.287 -0.170 0.000 0.849 625 K CB 1.902 34.184 32.500 -0.363 0.000 1.098 625 K HN 0.554 nan 8.250 nan 0.000 0.445 626 I N 3.468 123.874 120.570 -0.273 0.000 2.412 626 I HA 0.369 4.539 4.170 -0.000 0.000 0.296 626 I C -0.575 175.339 176.117 -0.338 0.000 0.987 626 I CA -0.732 60.442 61.300 -0.209 0.000 1.180 626 I CB 0.911 38.850 38.000 -0.101 0.000 1.340 626 I HN 0.401 nan 8.210 nan 0.000 0.455 627 F N 2.886 122.841 119.950 0.008 0.000 2.495 627 F HA 0.366 4.893 4.527 -0.000 0.000 0.327 627 F C 0.742 176.532 175.800 -0.017 0.000 1.103 627 F CA -0.431 57.570 58.000 0.002 0.000 0.949 627 F CB 2.208 41.204 39.000 -0.008 0.000 1.142 627 F HN 0.361 nan 8.300 nan 0.000 0.457 628 T N -0.532 114.150 114.554 0.213 0.000 3.111 628 T HA 0.038 4.387 4.350 -0.000 0.000 0.284 628 T C -0.168 174.575 174.700 0.072 0.000 0.983 628 T CA -0.355 61.800 62.100 0.090 0.000 0.900 628 T CB -0.256 68.637 68.868 0.040 0.000 1.132 628 T HN 0.384 nan 8.240 nan 0.000 0.531 629 D N 2.502 122.963 120.400 0.101 0.000 2.406 629 D HA 0.313 4.953 4.640 -0.000 0.000 0.234 629 D C 0.035 176.331 176.300 -0.006 0.000 1.196 629 D CA 0.237 54.252 54.000 0.025 0.000 0.881 629 D CB 0.682 41.444 40.800 -0.062 0.000 1.205 629 D HN 0.366 nan 8.370 nan 0.000 0.453 630 A N 0.756 123.566 122.820 -0.017 0.000 2.260 630 A HA 0.614 4.934 4.320 -0.000 0.000 0.314 630 A C 0.811 178.374 177.584 -0.034 0.000 1.257 630 A CA 0.241 52.270 52.037 -0.013 0.000 0.871 630 A CB 0.904 19.902 19.000 -0.003 0.000 1.166 630 A HN 0.736 nan 8.150 nan 0.000 0.522 631 G N 2.107 110.888 108.800 -0.033 0.000 2.164 631 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.154 631 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.154 631 G C 0.069 174.907 174.900 -0.103 0.000 1.014 631 G CA -0.445 44.617 45.100 -0.065 0.000 0.683 631 G HN 0.821 nan 8.290 nan 0.000 0.500 632 R N 0.603 121.060 120.500 -0.071 0.000 2.265 632 R HA 0.520 4.860 4.340 -0.000 0.000 0.314 632 R C 0.492 176.782 176.300 -0.016 0.000 1.053 632 R CA -0.506 55.540 56.100 -0.089 0.000 0.931 632 R CB 1.735 32.003 30.300 -0.054 0.000 1.024 632 R HN 0.086 nan 8.270 nan 0.000 0.457 633 V N 4.783 124.628 119.914 -0.115 0.000 2.637 633 V HA 0.168 4.288 4.120 -0.000 0.000 0.296 633 V C -0.237 175.901 176.094 0.074 0.000 1.046 633 V CA -0.015 62.242 62.300 -0.072 0.000 1.066 633 V CB -0.231 31.592 31.823 -0.000 0.000 0.968 633 V HN 0.742 nan 8.190 nan 0.000 0.483 634 Y N 2.927 123.217 120.300 -0.017 0.000 2.670 634 Y HA 0.892 5.442 4.550 -0.000 0.000 0.334 634 Y C -0.642 175.242 175.900 -0.026 0.000 1.185 634 Y CA -1.896 56.202 58.100 -0.003 0.000 1.053 634 Y CB 1.604 40.055 38.460 -0.015 0.000 1.298 634 Y HN 0.695 nan 8.280 nan 0.000 0.459 635 R N 0.654 121.332 120.500 0.298 0.000 2.707 635 R HA 0.674 5.013 4.340 -0.000 0.000 0.272 635 R C -3.477 172.988 176.300 0.275 0.000 1.011 635 R CA -1.992 54.198 56.100 0.149 0.000 0.893 635 R CB 2.593 32.902 30.300 0.015 0.000 1.233 635 R HN 0.489 nan 8.270 nan 0.000 0.464 636 P HA 0.334 nan 4.420 nan 0.000 0.277 636 P C -0.852 176.480 177.300 0.054 0.000 1.240 636 P CA -0.456 62.824 63.100 0.299 0.000 0.798 636 P CB 1.172 33.091 31.700 0.366 0.000 0.979 637 L N 1.169 122.412 121.223 0.033 0.000 2.472 637 L HA 0.423 4.763 4.340 -0.000 0.000 0.260 637 L C 0.031 176.903 176.870 0.002 0.000 0.963 637 L CA -0.939 53.891 54.840 -0.017 0.000 0.829 637 L CB 1.854 43.944 42.059 0.052 0.000 1.348 637 L HN 0.265 nan 8.230 nan 0.000 0.408 638 F N 2.334 122.330 119.950 0.077 0.000 2.518 638 F HA 0.272 4.799 4.527 -0.000 0.000 0.359 638 F C 0.524 176.358 175.800 0.056 0.000 1.118 638 F CA -0.127 57.893 58.000 0.034 0.000 1.287 638 F CB 0.675 39.677 39.000 0.003 0.000 1.132 638 F HN 0.166 nan 8.300 nan 0.000 0.587 639 I N 3.287 123.983 120.570 0.210 0.000 2.385 639 I HA 0.154 4.324 4.170 -0.000 0.000 0.294 639 I C 0.226 176.343 176.117 -0.001 0.000 0.988 639 I CA -0.394 60.932 61.300 0.044 0.000 1.265 639 I CB 1.579 39.577 38.000 -0.003 0.000 1.388 639 I HN 0.395 nan 8.210 nan 0.000 0.480 640 V N 3.058 122.933 119.914 -0.065 0.000 3.528 640 V HA 0.083 4.203 4.120 -0.000 0.000 0.294 640 V C 0.574 176.654 176.094 -0.023 0.000 1.404 640 V CA -0.193 62.093 62.300 -0.022 0.000 1.065 640 V CB -0.719 31.120 31.823 0.027 0.000 0.904 640 V HN 0.680 nan 8.190 nan 0.000 0.435 641 E N 3.088 123.257 120.200 -0.053 0.000 3.601 641 E HA -0.197 4.153 4.350 -0.000 0.000 0.255 641 E C 1.085 177.674 176.600 -0.018 0.000 0.855 641 E CA 0.817 57.195 56.400 -0.037 0.000 0.956 641 E CB 0.290 29.966 29.700 -0.040 0.000 0.892 641 E HN 0.675 nan 8.360 nan 0.000 0.575 642 D N 2.478 122.875 120.400 -0.005 0.000 2.351 642 D HA -0.204 4.436 4.640 -0.000 0.000 0.216 642 D C -0.161 176.129 176.300 -0.016 0.000 0.968 642 D CA 0.271 54.271 54.000 0.000 0.000 0.899 642 D CB -0.023 40.786 40.800 0.016 0.000 0.907 642 D HN 0.215 nan 8.370 nan 0.000 0.514 643 D N 1.798 122.188 120.400 -0.016 0.000 2.552 643 D HA -0.037 4.603 4.640 -0.000 0.000 0.274 643 D C -0.190 176.093 176.300 -0.028 0.000 1.406 643 D CA 0.894 54.883 54.000 -0.018 0.000 1.311 643 D CB -0.106 40.686 40.800 -0.013 0.000 1.146 643 D HN 0.321 nan 8.370 nan 0.000 0.541 644 E N 0.463 120.640 120.200 -0.039 0.000 2.466 644 E HA 0.007 4.357 4.350 -0.000 0.000 0.308 644 E C 0.720 177.283 176.600 -0.061 0.000 0.933 644 E CA -0.107 56.256 56.400 -0.061 0.000 0.800 644 E CB 1.091 30.728 29.700 -0.105 0.000 1.434 644 E HN 0.212 nan 8.360 nan 0.000 0.389 645 S N 2.944 118.620 115.700 -0.041 0.000 2.399 645 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 645 S C 1.512 176.090 174.600 -0.036 0.000 1.022 645 S CA 0.511 58.693 58.200 -0.030 0.000 0.983 645 S CB -0.143 63.046 63.200 -0.018 0.000 0.803 645 S HN 0.533 nan 8.310 nan 0.000 0.480 646 L N 2.390 123.582 121.223 -0.051 0.000 2.801 646 L HA 0.343 4.683 4.340 -0.000 0.000 0.250 646 L C 1.007 177.833 176.870 -0.074 0.000 1.222 646 L CA 0.278 55.089 54.840 -0.049 0.000 1.054 646 L CB -1.053 40.978 42.059 -0.045 0.000 1.330 646 L HN 0.661 nan 8.230 nan 0.000 0.426 647 G N -0.388 108.367 108.800 -0.075 0.000 2.784 647 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 647 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 647 G C -0.031 174.727 174.900 -0.237 0.000 1.156 647 G CA -0.561 44.510 45.100 -0.049 0.000 0.757 647 G HN 0.673 nan 8.290 nan 0.000 0.642 648 H N -0.887 118.192 119.070 0.015 0.000 1.516 648 H HA -0.212 4.344 4.556 -0.000 0.000 0.123 648 H C 0.105 175.446 175.328 0.022 0.000 2.202 648 H CA 1.058 57.119 56.048 0.021 0.000 1.862 648 H CB -0.412 29.368 29.762 0.030 0.000 2.210 648 H HN 0.991 nan 8.280 nan 0.000 0.942 649 K N 1.161 121.686 120.400 0.207 0.000 2.183 649 K HA 0.394 4.714 4.320 -0.000 0.000 0.274 649 K C -0.467 176.218 176.600 0.142 0.000 1.009 649 K CA -0.198 56.162 56.287 0.122 0.000 0.888 649 K CB 1.035 33.625 32.500 0.150 0.000 1.078 649 K HN 0.525 nan 8.250 nan 0.000 0.459 650 E N 2.914 123.131 120.200 0.027 0.000 2.408 650 E HA 0.327 4.677 4.350 -0.000 0.000 0.275 650 E C -1.287 175.303 176.600 -0.016 0.000 0.935 650 E CA -0.714 55.690 56.400 0.007 0.000 0.775 650 E CB 1.046 30.700 29.700 -0.077 0.000 1.277 650 E HN 0.442 nan 8.360 nan 0.000 0.455 651 L N 3.791 124.986 121.223 -0.046 0.000 2.416 651 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 651 L C 1.481 178.312 176.870 -0.065 0.000 1.161 651 L CA -0.172 54.617 54.840 -0.085 0.000 0.845 651 L CB 0.431 42.358 42.059 -0.220 0.000 1.119 651 L HN 0.614 nan 8.230 nan 0.000 0.464 652 K N 1.775 122.150 120.400 -0.042 0.000 2.103 652 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 652 K C 0.454 177.039 176.600 -0.026 0.000 1.048 652 K CA 0.846 57.116 56.287 -0.029 0.000 0.930 652 K CB -0.076 32.400 32.500 -0.039 0.000 0.716 652 K HN 0.401 nan 8.250 nan 0.000 0.444 653 V N 2.989 122.867 119.914 -0.060 0.000 2.740 653 V HA -0.006 4.114 4.120 -0.000 0.000 0.303 653 V C 0.576 176.714 176.094 0.072 0.000 1.054 653 V CA 0.168 62.451 62.300 -0.029 0.000 1.106 653 V CB 0.619 32.423 31.823 -0.030 0.000 0.957 653 V HN 0.237 nan 8.190 nan 0.000 0.486 654 R N 2.430 123.115 120.500 0.308 0.000 2.867 654 R HA 0.366 4.706 4.340 -0.000 0.000 0.268 654 R C 0.957 177.326 176.300 0.114 0.000 1.014 654 R CA -1.019 55.177 56.100 0.160 0.000 0.946 654 R CB 1.143 31.514 30.300 0.117 0.000 1.208 654 R HN 0.652 nan 8.270 nan 0.000 0.477 655 K N 0.849 121.274 120.400 0.042 0.000 2.127 655 K HA -0.174 4.145 4.320 -0.000 0.000 0.208 655 K C 1.530 178.141 176.600 0.018 0.000 1.047 655 K CA 2.294 58.603 56.287 0.035 0.000 0.927 655 K CB -0.378 32.131 32.500 0.014 0.000 0.716 655 K HN 0.757 nan 8.250 nan 0.000 0.450 656 G N -0.183 108.585 108.800 -0.052 0.000 2.422 656 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 656 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 656 G C 1.158 175.957 174.900 -0.168 0.000 1.140 656 G CA 0.536 45.552 45.100 -0.140 0.000 0.775 656 G HN 0.385 nan 8.290 nan 0.000 0.545 657 H N 0.127 119.213 119.070 0.027 0.000 2.462 657 H HA 0.114 4.670 4.556 -0.000 0.000 0.292 657 H C 2.555 177.993 175.328 0.183 0.000 1.049 657 H CA 0.733 56.840 56.048 0.098 0.000 1.334 657 H CB 0.196 30.072 29.762 0.190 0.000 1.404 657 H HN 0.362 nan 8.280 nan 0.000 0.544 658 I N 0.445 121.162 120.570 0.246 0.000 2.277 658 I HA -0.121 4.049 4.170 -0.000 0.000 0.243 658 I C 2.614 178.835 176.117 0.173 0.000 1.094 658 I CA 0.804 62.240 61.300 0.227 0.000 1.393 658 I CB -0.177 37.934 38.000 0.185 0.000 1.078 658 I HN 0.085 nan 8.210 nan 0.000 0.417 659 A N 0.210 123.090 122.820 0.100 0.000 2.172 659 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 659 A C 2.269 179.886 177.584 0.055 0.000 1.154 659 A CA 1.275 53.352 52.037 0.066 0.000 0.701 659 A CB -0.413 18.600 19.000 0.022 0.000 0.789 659 A HN 0.315 nan 8.150 nan 0.000 0.465 660 K N -0.605 119.820 120.400 0.042 0.000 2.137 660 K HA 0.148 4.468 4.320 -0.000 0.000 0.202 660 K C 1.688 178.411 176.600 0.205 0.000 1.052 660 K CA 0.520 56.795 56.287 -0.021 0.000 0.961 660 K CB -0.150 32.135 32.500 -0.357 0.000 0.741 660 K HN 0.473 nan 8.250 nan 0.000 0.452 661 L N 0.446 121.888 121.223 0.364 0.000 2.005 661 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 661 L C 2.439 179.472 176.870 0.271 0.000 1.072 661 L CA 1.198 56.278 54.840 0.401 0.000 0.744 661 L CB -0.251 42.028 42.059 0.367 0.000 0.895 661 L HN 0.216 nan 8.230 nan 0.000 0.433 662 M N -0.702 119.032 119.600 0.224 0.000 2.346 662 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 662 M C 2.298 178.710 176.300 0.187 0.000 1.064 662 M CA 1.440 56.856 55.300 0.193 0.000 1.083 662 M CB -0.484 32.210 32.600 0.156 0.000 1.399 662 M HN 0.348 nan 8.290 nan 0.000 0.435 663 A N -0.191 122.731 122.820 0.169 0.000 1.969 663 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 663 A C 2.165 179.867 177.584 0.198 0.000 1.169 663 A CA 1.875 54.009 52.037 0.162 0.000 0.635 663 A CB -0.807 18.258 19.000 0.107 0.000 0.810 663 A HN 0.404 nan 8.150 nan 0.000 0.445 664 T N -0.221 114.453 114.554 0.200 0.000 2.812 664 T HA -0.099 4.251 4.350 -0.000 0.000 0.264 664 T C 1.758 176.561 174.700 0.172 0.000 1.042 664 T CA 1.383 63.593 62.100 0.183 0.000 1.140 664 T CB -0.221 68.764 68.868 0.196 0.000 0.870 664 T HN 0.598 nan 8.240 nan 0.000 0.445 665 E N 0.077 120.393 120.200 0.194 0.000 2.097 665 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 665 E C 1.913 178.623 176.600 0.184 0.000 1.000 665 E CA 1.286 57.797 56.400 0.185 0.000 0.804 665 E CB -0.244 29.578 29.700 0.204 0.000 0.740 665 E HN 0.539 nan 8.360 nan 0.000 0.454 666 Y N 1.638 121.989 120.300 0.086 0.000 2.352 666 Y HA -0.137 4.413 4.550 -0.000 0.000 0.292 666 Y C 1.772 177.706 175.900 0.058 0.000 1.136 666 Y CA 1.299 59.439 58.100 0.067 0.000 1.227 666 Y CB 0.113 38.609 38.460 0.060 0.000 0.991 666 Y HN -0.009 nan 8.280 nan 0.000 0.545 667 Q N 0.549 120.367 119.800 0.029 0.000 2.466 667 Q HA -0.010 4.330 4.340 -0.000 0.000 0.210 667 Q C -0.424 175.540 176.000 -0.060 0.000 0.961 667 Q CA 0.395 56.171 55.803 -0.046 0.000 0.953 667 Q CB 0.099 28.865 28.738 0.047 0.000 1.011 667 Q HN 0.490 nan 8.270 nan 0.000 0.516 679 Y N 3.511 123.854 120.300 0.073 0.000 2.454 679 Y HA 0.427 4.977 4.550 -0.000 0.000 0.345 679 Y C 0.014 175.970 175.900 0.093 0.000 0.970 679 Y CA -0.266 57.880 58.100 0.077 0.000 1.204 679 Y CB 0.750 39.263 38.460 0.089 0.000 1.122 679 Y HN 0.061 nan 8.280 nan 0.000 0.514 680 T N 3.537 118.032 114.554 -0.099 0.000 2.880 680 T HA -0.013 4.337 4.350 -0.000 0.000 0.279 680 T C 1.033 175.661 174.700 -0.119 0.000 0.990 680 T CA -0.667 61.405 62.100 -0.046 0.000 0.938 680 T CB 0.774 69.644 68.868 0.004 0.000 1.206 680 T HN 0.851 nan 8.240 nan 0.000 0.573 681 W N 0.597 121.811 121.300 -0.144 0.000 2.381 681 W HA -0.143 4.517 4.660 -0.000 0.000 0.301 681 W C 1.865 178.291 176.519 -0.155 0.000 1.205 681 W CA 1.383 58.647 57.345 -0.136 0.000 1.285 681 W CB -0.716 28.687 29.460 -0.094 0.000 1.133 681 W HN 0.598 nan 8.180 nan 0.000 0.521 682 S N 0.990 116.624 115.700 -0.109 0.000 2.374 682 S HA -0.251 4.218 4.470 -0.000 0.000 0.227 682 S C 2.020 176.435 174.600 -0.309 0.000 1.037 682 S CA 2.362 60.443 58.200 -0.199 0.000 1.024 682 S CB -0.583 62.596 63.200 -0.035 0.000 0.861 682 S HN 0.463 nan 8.310 nan 0.000 0.456 683 S N 1.471 116.990 115.700 -0.301 0.000 2.442 683 S HA 0.025 4.495 4.470 -0.000 0.000 0.236 683 S C 1.666 176.015 174.600 -0.419 0.000 1.007 683 S CA 0.782 58.795 58.200 -0.312 0.000 0.965 683 S CB -0.546 62.462 63.200 -0.319 0.000 0.773 683 S HN 0.439 nan 8.310 nan 0.000 0.504 684 L N -0.145 120.723 121.223 -0.592 0.000 2.240 684 L HA 0.189 4.529 4.340 -0.000 0.000 0.211 684 L C 2.381 178.901 176.870 -0.584 0.000 1.106 684 L CA 0.427 54.923 54.840 -0.573 0.000 0.793 684 L CB -0.355 41.316 42.059 -0.647 0.000 0.927 684 L HN 0.291 nan 8.230 nan 0.000 0.446 685 L N -0.508 120.308 121.223 -0.679 0.000 2.162 685 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 685 L C 2.122 178.779 176.870 -0.354 0.000 1.086 685 L CA 1.440 55.930 54.840 -0.584 0.000 0.778 685 L CB -0.529 41.132 42.059 -0.663 0.000 0.928 685 L HN 0.147 nan 8.230 nan 0.000 0.446 686 N N 0.228 118.760 118.700 -0.280 0.000 2.216 686 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 686 N C 1.347 176.775 175.510 -0.136 0.000 1.017 686 N CA 1.181 54.127 53.050 -0.173 0.000 0.861 686 N CB -0.058 38.356 38.487 -0.122 0.000 0.986 686 N HN 0.503 nan 8.380 nan 0.000 0.428 687 E N 0.106 120.223 120.200 -0.139 0.000 2.512 687 E HA 0.103 4.452 4.350 -0.000 0.000 0.195 687 E C 0.235 176.766 176.600 -0.115 0.000 1.083 687 E CA -0.105 56.242 56.400 -0.088 0.000 0.873 687 E CB -0.128 29.551 29.700 -0.035 0.000 0.897 687 E HN 0.331 nan 8.360 nan 0.000 0.514 688 G N 1.481 110.188 108.800 -0.155 0.000 2.314 688 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.292 688 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.292 688 G C 0.480 175.296 174.900 -0.140 0.000 1.059 688 G CA 0.217 45.231 45.100 -0.144 0.000 0.982 688 G HN 0.313 nan 8.290 nan 0.000 0.505 689 L N -1.843 119.265 121.223 -0.191 0.000 2.609 689 L HA 0.363 4.703 4.340 -0.000 0.000 0.230 689 L C 0.639 177.447 176.870 -0.102 0.000 1.087 689 L CA 0.133 54.882 54.840 -0.152 0.000 0.874 689 L CB 0.496 42.417 42.059 -0.230 0.000 1.114 689 L HN 0.186 nan 8.230 nan 0.000 0.488 690 V N -0.884 118.900 119.914 -0.216 0.000 2.971 690 V HA 0.429 4.549 4.120 -0.000 0.000 0.309 690 V C -0.906 175.041 176.094 -0.245 0.000 1.130 690 V CA -0.788 61.373 62.300 -0.232 0.000 0.964 690 V CB 2.875 34.412 31.823 -0.477 0.000 1.029 690 V HN 0.010 nan 8.190 nan 0.000 0.427 691 E N 0.957 121.076 120.200 -0.135 0.000 2.340 691 E HA 0.496 4.845 4.350 -0.000 0.000 0.273 691 E C -1.851 174.727 176.600 -0.036 0.000 0.891 691 E CA -0.731 55.589 56.400 -0.134 0.000 0.757 691 E CB 2.761 32.468 29.700 0.013 0.000 1.231 691 E HN 0.695 nan 8.360 nan 0.000 0.439 692 Y N 2.493 122.780 120.300 -0.022 0.000 2.350 692 Y HA 0.378 4.928 4.550 -0.000 0.000 0.340 692 Y C 0.244 176.094 175.900 -0.083 0.000 1.006 692 Y CA -0.560 57.514 58.100 -0.043 0.000 1.166 692 Y CB 0.751 39.026 38.460 -0.308 0.000 1.168 692 Y HN 0.204 nan 8.280 nan 0.000 0.502 693 I N 4.661 125.338 120.570 0.179 0.000 2.447 693 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 693 I C -0.713 175.503 176.117 0.166 0.000 1.023 693 I CA -1.012 60.343 61.300 0.091 0.000 1.083 693 I CB 1.582 39.569 38.000 -0.023 0.000 1.245 693 I HN 0.632 nan 8.210 nan 0.000 0.434 694 D N 5.478 125.967 120.400 0.148 0.000 2.451 694 D HA 0.239 4.879 4.640 -0.000 0.000 0.259 694 D C 0.912 177.312 176.300 0.165 0.000 1.201 694 D CA -0.654 53.451 54.000 0.174 0.000 1.028 694 D CB 1.250 42.129 40.800 0.131 0.000 1.095 694 D HN 0.507 nan 8.370 nan 0.000 0.539 695 A N -0.609 122.326 122.820 0.191 0.000 2.168 695 A HA -0.123 4.196 4.320 -0.000 0.000 0.215 695 A C 1.880 179.638 177.584 0.289 0.000 1.152 695 A CA 1.381 53.571 52.037 0.256 0.000 0.716 695 A CB -0.684 18.530 19.000 0.356 0.000 0.794 695 A HN 0.593 nan 8.150 nan 0.000 0.465 696 E N 0.325 120.645 120.200 0.200 0.000 2.051 696 E HA -0.130 4.220 4.350 -0.000 0.000 0.189 696 E C 1.896 178.591 176.600 0.158 0.000 0.979 696 E CA 1.482 57.984 56.400 0.169 0.000 0.803 696 E CB -0.245 29.538 29.700 0.138 0.000 0.761 696 E HN 0.662 nan 8.360 nan 0.000 0.451 697 E N 0.101 120.382 120.200 0.136 0.000 2.274 697 E HA -0.177 4.172 4.350 -0.000 0.000 0.194 697 E C 1.698 178.347 176.600 0.083 0.000 0.996 697 E CA 0.598 57.057 56.400 0.099 0.000 0.840 697 E CB -0.012 29.733 29.700 0.075 0.000 0.772 697 E HN 0.305 nan 8.360 nan 0.000 0.491 698 E N 0.362 120.621 120.200 0.099 0.000 2.267 698 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 698 E C 1.704 178.359 176.600 0.091 0.000 0.998 698 E CA 0.745 57.195 56.400 0.085 0.000 0.830 698 E CB 0.172 29.946 29.700 0.123 0.000 0.751 698 E HN 0.237 nan 8.360 nan 0.000 0.491 699 E N -0.117 120.157 120.200 0.122 0.000 2.153 699 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 699 E C 1.438 178.091 176.600 0.088 0.000 0.988 699 E CA 1.326 57.797 56.400 0.119 0.000 0.811 699 E CB 0.085 29.882 29.700 0.161 0.000 0.746 699 E HN 0.213 nan 8.360 nan 0.000 0.466 700 S N -0.055 115.698 115.700 0.088 0.000 2.562 700 S HA 0.301 4.771 4.470 -0.000 0.000 0.246 700 S C 0.656 175.319 174.600 0.105 0.000 1.056 700 S CA -0.643 57.606 58.200 0.083 0.000 1.042 700 S CB -0.783 62.462 63.200 0.075 0.000 0.822 700 S HN 0.196 nan 8.310 nan 0.000 0.465 701 I N -2.613 118.028 120.570 0.118 0.000 3.170 701 I HA 0.834 5.003 4.170 -0.000 0.000 0.312 701 I C -1.311 174.910 176.117 0.174 0.000 1.085 701 I CA -1.803 59.610 61.300 0.189 0.000 0.999 701 I CB 1.653 39.796 38.000 0.238 0.000 1.233 701 I HN 0.050 nan 8.210 nan 0.000 0.467 702 L N 3.095 124.464 121.223 0.244 0.000 2.381 702 L HA 0.631 4.971 4.340 -0.000 0.000 0.274 702 L C -1.028 176.058 176.870 0.361 0.000 0.988 702 L CA -0.264 54.732 54.840 0.259 0.000 0.824 702 L CB 1.654 43.848 42.059 0.226 0.000 1.263 702 L HN 0.503 nan 8.230 nan 0.000 0.410 703 I N 4.159 124.883 120.570 0.256 0.000 2.404 703 I HA 0.664 4.834 4.170 -0.000 0.000 0.293 703 I C 0.083 176.149 176.117 -0.085 0.000 0.992 703 I CA -0.807 60.567 61.300 0.123 0.000 1.149 703 I CB 1.899 39.950 38.000 0.085 0.000 1.315 703 I HN 0.696 nan 8.210 nan 0.000 0.446 704 A N 5.246 127.804 122.820 -0.437 0.000 2.310 704 A HA 0.501 4.821 4.320 -0.000 0.000 0.299 704 A C 0.556 177.966 177.584 -0.289 0.000 1.147 704 A CA -0.462 51.138 52.037 -0.729 0.000 0.818 704 A CB 1.106 19.420 19.000 -1.144 0.000 1.096 704 A HN 0.806 nan 8.150 nan 0.000 0.495 705 M N 0.954 120.424 119.600 -0.215 0.000 2.111 705 M HA -0.003 4.476 4.480 -0.000 0.000 0.257 705 M C 1.018 177.231 176.300 -0.145 0.000 1.096 705 M CA 1.874 57.095 55.300 -0.132 0.000 1.117 705 M CB -0.525 32.006 32.600 -0.115 0.000 1.265 705 M HN 0.770 nan 8.290 nan 0.000 0.427 706 Q N 0.462 120.173 119.800 -0.148 0.000 2.235 706 Q HA 0.180 4.520 4.340 -0.000 0.000 0.250 706 Q C -1.792 174.123 176.000 -0.142 0.000 0.909 706 Q CA -1.742 53.982 55.803 -0.132 0.000 0.910 706 Q CB 0.973 29.651 28.738 -0.101 0.000 1.223 706 Q HN 0.219 nan 8.270 nan 0.000 0.432 707 P HA -0.231 nan 4.420 nan 0.000 0.214 707 P C 0.541 177.765 177.300 -0.128 0.000 1.162 707 P CA 1.502 64.516 63.100 -0.142 0.000 0.874 707 P CB 0.244 31.842 31.700 -0.170 0.000 0.784 708 E N 0.255 120.396 120.200 -0.099 0.000 2.015 708 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 708 E C 1.833 178.354 176.600 -0.132 0.000 0.991 708 E CA 1.053 57.401 56.400 -0.087 0.000 0.802 708 E CB -1.230 28.444 29.700 -0.044 0.000 0.759 708 E HN 0.087 nan 8.360 nan 0.000 0.447 709 D N 0.286 120.611 120.400 -0.126 0.000 2.310 709 D HA -0.032 4.608 4.640 -0.000 0.000 0.212 709 D C 1.578 177.692 176.300 -0.311 0.000 0.965 709 D CA 0.752 54.655 54.000 -0.162 0.000 0.879 709 D CB 0.261 41.015 40.800 -0.077 0.000 0.921 709 D HN 0.261 nan 8.370 nan 0.000 0.510 710 L N -0.242 120.822 121.223 -0.265 0.000 2.766 710 L HA 0.216 4.556 4.340 -0.000 0.000 0.242 710 L C 0.867 177.661 176.870 -0.127 0.000 1.136 710 L CA 0.218 54.929 54.840 -0.214 0.000 0.933 710 L CB 0.529 42.503 42.059 -0.141 0.000 1.241 710 L HN -0.206 nan 8.230 nan 0.000 0.522 711 E N 0.038 120.121 120.200 -0.195 0.000 2.758 711 E HA 0.156 4.506 4.350 -0.000 0.000 0.215 711 E C -2.184 174.329 176.600 -0.146 0.000 0.985 711 E CA -0.879 55.493 56.400 -0.047 0.000 1.102 711 E CB 0.963 30.685 29.700 0.037 0.000 1.042 711 E HN 0.273 nan 8.360 nan 0.000 0.480 712 P HA 0.319 nan 4.420 nan 0.000 0.281 712 P C -0.844 176.414 177.300 -0.070 0.000 1.281 712 P CA -0.478 62.506 63.100 -0.192 0.000 0.811 712 P CB 1.144 32.748 31.700 -0.161 0.000 1.154 713 A N 0.055 122.827 122.820 -0.080 0.000 2.274 713 A HA 0.283 4.603 4.320 -0.000 0.000 0.309 713 A C 0.207 177.813 177.584 0.036 0.000 1.226 713 A CA -0.621 51.415 52.037 -0.003 0.000 0.853 713 A CB -0.140 18.827 19.000 -0.054 0.000 1.146 713 A HN 0.609 nan 8.150 nan 0.000 0.518 714 E N 2.360 122.599 120.200 0.065 0.000 2.366 714 E HA 0.400 4.750 4.350 -0.000 0.000 0.266 714 E C 0.603 177.209 176.600 0.010 0.000 1.015 714 E CA -0.139 56.285 56.400 0.039 0.000 0.906 714 E CB 0.619 30.319 29.700 -0.001 0.000 0.979 714 E HN 0.774 nan 8.360 nan 0.000 0.443 723 V N 2.700 122.630 119.914 0.027 0.000 2.732 723 V HA 0.214 4.333 4.120 -0.000 0.000 0.297 723 V C 0.515 176.629 176.094 0.033 0.000 1.060 723 V CA -0.449 61.870 62.300 0.032 0.000 1.038 723 V CB 1.743 33.586 31.823 0.034 0.000 1.003 723 V HN 0.041 nan 8.190 nan 0.000 0.481 724 D N 5.428 125.850 120.400 0.038 0.000 2.401 724 D HA 0.096 4.736 4.640 -0.000 0.000 0.254 724 D C -1.242 175.082 176.300 0.040 0.000 1.192 724 D CA -1.199 52.825 54.000 0.040 0.000 0.885 724 D CB 1.848 42.676 40.800 0.046 0.000 1.147 724 D HN 0.377 nan 8.370 nan 0.000 0.478 725 P HA -0.030 nan 4.420 nan 0.000 0.229 725 P C 0.685 178.007 177.300 0.037 0.000 1.160 725 P CA 0.367 63.487 63.100 0.033 0.000 0.777 725 P CB 0.371 32.088 31.700 0.028 0.000 0.814 726 A N -0.111 122.734 122.820 0.042 0.000 2.030 726 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 726 A C 1.260 178.879 177.584 0.058 0.000 1.164 726 A CA 0.356 52.420 52.037 0.045 0.000 0.697 726 A CB -0.483 18.544 19.000 0.044 0.000 0.827 726 A HN 0.137 nan 8.150 nan 0.000 0.457 727 K N 1.136 121.574 120.400 0.063 0.000 2.319 727 K HA 0.210 4.530 4.320 -0.000 0.000 0.265 727 K C 0.356 176.999 176.600 0.071 0.000 1.000 727 K CA -0.425 55.908 56.287 0.076 0.000 0.943 727 K CB 0.521 33.066 32.500 0.075 0.000 0.950 727 K HN 0.585 nan 8.250 nan 0.000 0.485 728 R N 1.630 122.179 120.500 0.082 0.000 2.738 728 R HA 0.149 4.489 4.340 -0.000 0.000 0.268 728 R C -0.334 176.004 176.300 0.063 0.000 1.062 728 R CA -0.173 55.967 56.100 0.068 0.000 1.158 728 R CB 0.096 30.438 30.300 0.071 0.000 1.046 728 R HN 0.440 nan 8.270 nan 0.000 0.493 729 I N 2.009 122.610 120.570 0.053 0.000 2.304 729 I HA 0.286 4.455 4.170 -0.000 0.000 0.291 729 I C 0.333 176.481 176.117 0.052 0.000 1.018 729 I CA -0.548 60.781 61.300 0.048 0.000 1.260 729 I CB 1.159 39.182 38.000 0.039 0.000 1.390 729 I HN 0.501 nan 8.210 nan 0.000 0.475 730 R N 4.059 124.592 120.500 0.054 0.000 2.604 730 R HA 0.546 4.886 4.340 -0.000 0.000 0.287 730 R C 0.399 176.731 176.300 0.053 0.000 0.970 730 R CA -0.732 55.401 56.100 0.054 0.000 0.946 730 R CB 2.027 32.362 30.300 0.058 0.000 1.127 730 R HN 0.383 nan 8.270 nan 0.000 0.473 731 V N 0.160 120.105 119.914 0.053 0.000 2.239 731 V HA 0.072 4.192 4.120 -0.000 0.000 0.147 731 V C 0.449 176.581 176.094 0.063 0.000 0.891 731 V CA 0.384 62.717 62.300 0.055 0.000 1.342 731 V CB -0.075 31.781 31.823 0.055 0.000 0.803 731 V HN 0.715 nan 8.190 nan 0.000 0.430 732 S N -1.082 114.659 115.700 0.069 0.000 2.618 732 S HA 0.428 4.898 4.470 -0.000 0.000 0.277 732 S C -0.579 174.074 174.600 0.088 0.000 1.138 732 S CA -0.501 57.712 58.200 0.022 0.000 0.844 732 S CB 1.343 64.457 63.200 -0.143 0.000 1.127 732 S HN 0.825 nan 8.310 nan 0.000 0.474 733 H N 0.669 119.735 119.070 -0.007 0.000 2.638 733 H HA 0.247 4.803 4.556 -0.000 0.000 0.232 733 H C -0.563 174.794 175.328 0.048 0.000 1.756 733 H CA -0.292 55.826 56.048 0.115 0.000 1.234 733 H CB -0.921 28.928 29.762 0.144 0.000 1.616 733 H HN 0.455 nan 8.280 nan 0.000 0.510 734 H N 2.198 121.246 119.070 -0.037 0.000 3.216 734 H HA 0.459 5.014 4.556 -0.000 0.000 0.263 734 H C -0.253 174.969 175.328 -0.176 0.000 1.601 734 H CA 0.164 56.138 56.048 -0.124 0.000 1.509 734 H CB -0.347 29.356 29.762 -0.098 0.000 1.759 734 H HN 0.773 nan 8.280 nan 0.000 0.533 735 A N 2.530 125.241 122.820 -0.182 0.000 2.508 735 A HA 0.181 4.501 4.320 -0.000 0.000 0.297 735 A C 0.041 177.344 177.584 -0.468 0.000 1.036 735 A CA -0.766 50.992 52.037 -0.465 0.000 0.957 735 A CB 0.350 18.754 19.000 -0.993 0.000 1.428 735 A HN 0.336 nan 8.150 nan 0.000 0.393 736 T N 2.536 116.943 114.554 -0.244 0.000 3.629 736 T HA 0.442 4.792 4.350 -0.000 0.000 0.317 736 T C 0.715 175.324 174.700 -0.152 0.000 1.690 736 T CA 0.819 62.830 62.100 -0.149 0.000 1.276 736 T CB -0.206 68.624 68.868 -0.064 0.000 1.205 736 T HN 0.697 nan 8.240 nan 0.000 0.824 737 T N -0.080 114.329 114.554 -0.241 0.000 3.245 737 T HA 0.177 4.527 4.350 -0.000 0.000 0.261 737 T C 0.432 175.108 174.700 -0.040 0.000 0.842 737 T CA -0.550 61.464 62.100 -0.142 0.000 0.858 737 T CB -0.174 68.603 68.868 -0.152 0.000 1.262 737 T HN 0.502 nan 8.240 nan 0.000 0.587 738 F N 3.739 123.707 119.950 0.029 0.000 2.276 738 F HA -0.142 4.384 4.527 -0.000 0.000 0.428 738 F C 2.105 177.895 175.800 -0.017 0.000 0.915 738 F CA 0.565 58.581 58.000 0.027 0.000 1.051 738 F CB 0.322 39.344 39.000 0.038 0.000 0.847 738 F HN 0.251 nan 8.300 nan 0.000 0.511 739 T N -0.650 114.007 114.554 0.171 0.000 3.044 739 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 739 T C 0.133 174.554 174.700 -0.464 0.000 1.073 739 T CA 0.472 62.498 62.100 -0.124 0.000 1.125 739 T CB 0.004 68.818 68.868 -0.090 0.000 0.908 739 T HN 0.565 nan 8.240 nan 0.000 0.480 740 H N -1.134 118.019 119.070 0.137 0.000 2.985 740 H HA 0.724 5.280 4.556 -0.000 0.000 0.360 740 H C -1.365 173.993 175.328 0.049 0.000 1.221 740 H CA -0.979 55.129 56.048 0.099 0.000 1.121 740 H CB 1.737 31.554 29.762 0.092 0.000 1.854 740 H HN 0.268 nan 8.280 nan 0.000 0.551 741 C N 1.521 120.949 119.300 0.214 0.000 2.547 741 C HA 0.426 4.885 4.460 -0.000 0.000 0.313 741 C C -0.371 174.732 174.990 0.189 0.000 1.191 741 C CA -0.492 58.599 59.018 0.122 0.000 1.474 741 C CB 0.657 28.460 27.740 0.105 0.000 2.081 741 C HN 0.913 nan 8.230 nan 0.000 0.476 742 E N 3.638 123.892 120.200 0.090 0.000 2.366 742 E HA 0.141 4.491 4.350 -0.000 0.000 0.266 742 E C 1.319 177.937 176.600 0.031 0.000 1.015 742 E CA -0.026 56.403 56.400 0.047 0.000 0.906 742 E CB 0.372 30.094 29.700 0.038 0.000 0.979 742 E HN 0.501 nan 8.360 nan 0.000 0.443 743 I N 2.655 123.130 120.570 -0.159 0.000 2.113 743 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 743 I C 0.868 176.939 176.117 -0.078 0.000 1.064 743 I CA 1.766 62.883 61.300 -0.305 0.000 1.320 743 I CB -1.087 36.653 38.000 -0.433 0.000 1.028 743 I HN 0.643 nan 8.210 nan 0.000 0.406 744 H N -0.823 118.094 119.070 -0.254 0.000 3.114 744 H HA 0.186 4.742 4.556 -0.000 0.000 0.325 744 H C -2.138 173.066 175.328 -0.206 0.000 1.206 744 H CA -0.826 55.062 56.048 -0.267 0.000 1.316 744 H CB 2.034 31.449 29.762 -0.579 0.000 1.981 744 H HN -0.315 nan 8.280 nan 0.000 0.527 745 P HA -0.159 nan 4.420 nan 0.000 0.217 745 P C 1.226 178.540 177.300 0.023 0.000 1.150 745 P CA 1.738 64.730 63.100 -0.180 0.000 0.832 745 P CB 0.082 31.468 31.700 -0.523 0.000 0.787 746 S N -0.996 114.982 115.700 0.464 0.000 2.528 746 S HA -0.080 4.390 4.470 -0.000 0.000 0.244 746 S C 1.518 176.220 174.600 0.169 0.000 0.982 746 S CA 0.839 59.317 58.200 0.463 0.000 0.953 746 S CB -1.040 62.480 63.200 0.532 0.000 0.754 746 S HN -0.010 nan 8.310 nan 0.000 0.529 747 M N 1.402 121.009 119.600 0.012 0.000 2.493 747 M HA 0.362 4.842 4.480 -0.000 0.000 0.244 747 M C 1.357 177.533 176.300 -0.205 0.000 1.182 747 M CA 0.073 55.316 55.300 -0.095 0.000 0.981 747 M CB -0.940 31.549 32.600 -0.185 0.000 1.551 747 M HN 0.593 nan 8.290 nan 0.000 0.476 748 I N -2.473 117.932 120.570 -0.276 0.000 3.728 748 I HA 0.151 4.321 4.170 -0.000 0.000 0.307 748 I C 0.529 176.504 176.117 -0.237 0.000 1.276 748 I CA 0.043 61.081 61.300 -0.437 0.000 1.285 748 I CB -0.013 37.480 38.000 -0.844 0.000 1.038 748 I HN -0.013 nan 8.210 nan 0.000 0.445 749 L N 1.579 122.736 121.223 -0.111 0.000 2.456 749 L HA 0.644 4.984 4.340 -0.000 0.000 0.257 749 L C 0.777 177.613 176.870 -0.058 0.000 1.162 749 L CA -0.379 54.427 54.840 -0.058 0.000 0.808 749 L CB 0.708 42.765 42.059 -0.002 0.000 1.136 749 L HN 0.178 nan 8.230 nan 0.000 0.466 750 G N -0.613 108.155 108.800 -0.053 0.000 2.644 750 G HA2 0.458 4.418 3.960 -0.000 0.000 0.307 750 G HA3 0.458 4.418 3.960 -0.000 0.000 0.307 750 G C 0.784 175.660 174.900 -0.039 0.000 1.250 750 G CA -0.587 44.486 45.100 -0.045 0.000 0.996 750 G HN 0.396 nan 8.290 nan 0.000 0.489 751 V N 0.967 120.859 119.914 -0.036 0.000 2.233 751 V HA -0.370 3.750 4.120 -0.000 0.000 0.256 751 V C 3.258 179.319 176.094 -0.054 0.000 1.069 751 V CA 3.242 65.518 62.300 -0.041 0.000 1.054 751 V CB -1.306 30.493 31.823 -0.041 0.000 0.664 751 V HN 0.877 nan 8.190 nan 0.000 0.453 752 A N -0.584 122.206 122.820 -0.050 0.000 1.897 752 A HA 0.110 4.430 4.320 -0.000 0.000 0.215 752 A C 2.366 179.899 177.584 -0.085 0.000 1.181 752 A CA 1.853 53.855 52.037 -0.058 0.000 0.620 752 A CB -0.754 18.223 19.000 -0.038 0.000 0.821 752 A HN 0.683 nan 8.150 nan 0.000 0.443 753 A N -0.434 122.342 122.820 -0.073 0.000 1.933 753 A HA -0.051 4.268 4.320 -0.000 0.000 0.218 753 A C 2.283 179.806 177.584 -0.102 0.000 1.175 753 A CA 1.850 53.840 52.037 -0.079 0.000 0.628 753 A CB -0.787 18.179 19.000 -0.057 0.000 0.814 753 A HN 0.414 nan 8.150 nan 0.000 0.444 754 S N -0.409 115.235 115.700 -0.095 0.000 2.500 754 S HA -0.010 4.460 4.470 -0.000 0.000 0.239 754 S C 1.326 175.805 174.600 -0.202 0.000 0.989 754 S CA 1.020 59.159 58.200 -0.101 0.000 0.951 754 S CB -0.424 62.748 63.200 -0.047 0.000 0.759 754 S HN 0.583 nan 8.310 nan 0.000 0.523 755 I N 0.657 121.065 120.570 -0.271 0.000 3.728 755 I HA 0.160 4.330 4.170 -0.000 0.000 0.307 755 I C 0.010 175.907 176.117 -0.367 0.000 1.276 755 I CA 0.213 61.240 61.300 -0.455 0.000 1.285 755 I CB 0.048 37.669 38.000 -0.631 0.000 1.038 755 I HN 0.126 nan 8.210 nan 0.000 0.445 756 I N 4.611 125.027 120.570 -0.257 0.000 2.436 756 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 756 I C -2.074 173.919 176.117 -0.206 0.000 1.083 756 I CA -1.692 59.463 61.300 -0.242 0.000 1.372 756 I CB 0.203 38.104 38.000 -0.165 0.000 1.408 756 I HN -0.174 nan 8.210 nan 0.000 0.516 757 P HA 0.141 nan 4.420 nan 0.000 0.281 757 P C -0.225 177.120 177.300 0.075 0.000 1.252 757 P CA -0.176 62.815 63.100 -0.181 0.000 0.778 757 P CB 0.375 31.994 31.700 -0.136 0.000 0.895 758 F N 1.373 121.342 119.950 0.032 0.000 3.074 758 F HA -0.158 4.368 4.527 -0.000 0.000 0.287 758 F C -1.003 174.868 175.800 0.118 0.000 0.932 758 F CA -0.151 57.913 58.000 0.107 0.000 0.995 758 F CB -1.827 37.220 39.000 0.077 0.000 0.966 758 F HN 0.350 nan 8.300 nan 0.000 0.721 759 P HA -0.096 nan 4.420 nan 0.000 0.239 759 P C 0.711 178.013 177.300 0.004 0.000 1.184 759 P CA 1.434 64.573 63.100 0.064 0.000 0.760 759 P CB -0.019 31.669 31.700 -0.021 0.000 0.884 760 D N -2.322 118.051 120.400 -0.045 0.000 2.340 760 D HA -0.063 4.577 4.640 -0.000 0.000 0.217 760 D C 0.871 177.040 176.300 -0.219 0.000 1.081 760 D CA 0.118 54.017 54.000 -0.168 0.000 0.842 760 D CB -0.883 39.671 40.800 -0.410 0.000 0.934 760 D HN 0.309 nan 8.370 nan 0.000 0.511 761 H N -0.560 118.536 119.070 0.044 0.000 2.785 761 H HA 0.307 4.863 4.556 -0.000 0.000 0.268 761 H C -0.367 174.973 175.328 0.019 0.000 1.153 761 H CA -0.452 55.608 56.048 0.020 0.000 1.111 761 H CB 0.590 30.340 29.762 -0.021 0.000 1.633 761 H HN -0.000 nan 8.280 nan 0.000 0.576 762 N N 0.912 119.681 118.700 0.116 0.000 2.292 762 N HA 0.091 4.830 4.740 -0.000 0.000 0.303 762 N C -0.484 175.049 175.510 0.039 0.000 1.140 762 N CA -0.520 52.584 53.050 0.091 0.000 0.788 762 N CB 2.251 40.821 38.487 0.138 0.000 1.361 762 N HN 0.110 nan 8.380 nan 0.000 0.489 763 Q N 0.512 120.323 119.800 0.019 0.000 2.364 763 Q HA 0.086 4.426 4.340 -0.000 0.000 0.267 763 Q C 0.618 176.593 176.000 -0.042 0.000 0.999 763 Q CA 0.292 56.088 55.803 -0.012 0.000 0.886 763 Q CB 0.643 29.369 28.738 -0.020 0.000 1.243 763 Q HN 0.674 nan 8.270 nan 0.000 0.415 764 S N 4.120 119.793 115.700 -0.046 0.000 2.359 764 S HA -0.108 4.361 4.470 -0.000 0.000 0.223 764 S C -1.062 173.457 174.600 -0.135 0.000 1.039 764 S CA 1.626 59.789 58.200 -0.062 0.000 1.042 764 S CB -0.580 62.598 63.200 -0.037 0.000 0.915 764 S HN 0.698 nan 8.310 nan 0.000 0.439 765 P HA -0.063 nan 4.420 nan 0.000 0.220 765 P C 1.050 177.937 177.300 -0.688 0.000 1.148 765 P CA 0.888 63.754 63.100 -0.390 0.000 0.803 765 P CB -0.069 31.413 31.700 -0.362 0.000 0.782 766 R N -0.249 119.988 120.500 -0.440 0.000 2.115 766 R HA 0.007 4.347 4.340 -0.000 0.000 0.226 766 R C 1.889 178.106 176.300 -0.138 0.000 1.100 766 R CA 0.621 56.538 56.100 -0.306 0.000 0.980 766 R CB -1.143 29.126 30.300 -0.052 0.000 0.875 766 R HN 0.264 nan 8.270 nan 0.000 0.445 767 N N 0.154 118.788 118.700 -0.110 0.000 2.223 767 N HA -0.091 4.648 4.740 -0.000 0.000 0.185 767 N C 1.476 176.948 175.510 -0.064 0.000 1.016 767 N CA 1.380 54.395 53.050 -0.058 0.000 0.863 767 N CB -0.187 38.275 38.487 -0.042 0.000 0.983 767 N HN 0.165 nan 8.380 nan 0.000 0.429 768 T N 0.513 114.998 114.554 -0.116 0.000 2.737 768 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 768 T C 1.725 176.472 174.700 0.078 0.000 1.038 768 T CA 0.867 62.932 62.100 -0.057 0.000 1.144 768 T CB -0.431 68.376 68.868 -0.101 0.000 0.866 768 T HN 0.356 nan 8.240 nan 0.000 0.434 769 Y N 1.283 121.574 120.300 -0.016 0.000 2.081 769 Y HA -0.279 4.271 4.550 -0.000 0.000 0.280 769 Y C 3.044 178.927 175.900 -0.030 0.000 1.163 769 Y CA 1.063 59.152 58.100 -0.019 0.000 1.135 769 Y CB -0.314 38.142 38.460 -0.006 0.000 0.970 769 Y HN 0.191 nan 8.280 nan 0.000 0.498 770 Q N 0.580 120.454 119.800 0.124 0.000 2.124 770 Q HA -0.153 4.186 4.340 -0.000 0.000 0.202 770 Q C 2.121 178.121 176.000 -0.000 0.000 0.977 770 Q CA 1.996 57.817 55.803 0.030 0.000 0.850 770 Q CB -0.437 28.282 28.738 -0.033 0.000 0.901 770 Q HN 0.192 nan 8.270 nan 0.000 0.429 771 S N -0.497 115.202 115.700 -0.001 0.000 2.399 771 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 771 S C 1.711 176.306 174.600 -0.008 0.000 1.022 771 S CA 0.921 59.111 58.200 -0.016 0.000 0.983 771 S CB -0.360 62.826 63.200 -0.022 0.000 0.803 771 S HN 0.613 nan 8.310 nan 0.000 0.480 772 A N 0.362 123.190 122.820 0.012 0.000 2.021 772 A HA 0.212 4.532 4.320 -0.000 0.000 0.216 772 A C 1.956 179.521 177.584 -0.033 0.000 1.163 772 A CA 0.662 52.695 52.037 -0.006 0.000 0.676 772 A CB -0.286 18.723 19.000 0.014 0.000 0.818 772 A HN 0.476 nan 8.150 nan 0.000 0.453 773 M N -0.988 118.600 119.600 -0.020 0.000 2.501 773 M HA 0.062 4.542 4.480 -0.000 0.000 0.261 773 M C 2.056 178.338 176.300 -0.031 0.000 1.129 773 M CA 0.756 56.033 55.300 -0.038 0.000 1.126 773 M CB -0.019 32.565 32.600 -0.027 0.000 1.359 773 M HN 0.473 nan 8.290 nan 0.000 0.471 774 G N 0.875 109.669 108.800 -0.011 0.000 2.527 774 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 774 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 774 G C 1.458 176.374 174.900 0.027 0.000 1.117 774 G CA 0.702 45.816 45.100 0.024 0.000 0.759 774 G HN 0.414 nan 8.290 nan 0.000 0.556 775 K N -0.617 119.767 120.400 -0.027 0.000 2.374 775 K HA 0.162 4.482 4.320 -0.000 0.000 0.196 775 K C 1.611 178.108 176.600 -0.172 0.000 1.023 775 K CA 0.077 56.327 56.287 -0.062 0.000 1.103 775 K CB 0.522 32.968 32.500 -0.089 0.000 0.848 775 K HN 0.275 nan 8.250 nan 0.000 0.528 776 Q N 0.013 119.721 119.800 -0.152 0.000 2.189 776 Q HA 0.250 4.590 4.340 -0.000 0.000 0.223 776 Q C -0.034 175.891 176.000 -0.126 0.000 0.828 776 Q CA -0.400 55.267 55.803 -0.227 0.000 0.967 776 Q CB 1.293 29.901 28.738 -0.218 0.000 1.139 776 Q HN 0.166 nan 8.270 nan 0.000 0.497 777 A N 0.930 123.728 122.820 -0.036 0.000 2.346 777 A HA 0.434 4.754 4.320 -0.000 0.000 0.255 777 A C -0.061 177.547 177.584 0.041 0.000 1.113 777 A CA 0.074 52.119 52.037 0.014 0.000 0.798 777 A CB 0.385 19.434 19.000 0.082 0.000 1.073 777 A HN 0.241 nan 8.150 nan 0.000 0.502 778 M N -0.013 119.623 119.600 0.060 0.000 2.456 778 M HA 0.600 5.080 4.480 -0.000 0.000 0.324 778 M C 0.296 176.654 176.300 0.096 0.000 1.124 778 M CA 0.100 55.451 55.300 0.084 0.000 0.959 778 M CB 2.306 34.952 32.600 0.076 0.000 1.692 778 M HN 1.037 nan 8.290 nan 0.000 0.444 779 G N 0.716 109.571 108.800 0.090 0.000 2.342 779 G HA2 0.397 4.357 3.960 -0.000 0.000 0.297 779 G HA3 0.397 4.357 3.960 -0.000 0.000 0.297 779 G C -1.871 173.049 174.900 0.034 0.000 1.313 779 G CA -0.776 44.348 45.100 0.040 0.000 0.830 779 G HN 0.472 nan 8.290 nan 0.000 0.506 780 V N 2.088 121.964 119.914 -0.063 0.000 2.356 780 V HA 0.261 4.380 4.120 -0.000 0.000 0.258 780 V C 1.256 177.297 176.094 -0.088 0.000 1.065 780 V CA 0.140 62.354 62.300 -0.143 0.000 0.935 780 V CB -0.348 31.340 31.823 -0.225 0.000 1.061 780 V HN 0.715 nan 8.190 nan 0.000 0.484 781 F N 4.296 124.215 119.950 -0.052 0.000 2.456 781 F HA 0.475 5.002 4.527 -0.000 0.000 0.298 781 F C 0.337 176.180 175.800 0.072 0.000 1.104 781 F CA 0.289 58.311 58.000 0.037 0.000 1.435 781 F CB 0.023 39.038 39.000 0.025 0.000 1.078 781 F HN 0.252 nan 8.300 nan 0.000 0.546 782 L N -0.345 120.466 121.223 -0.687 0.000 2.671 782 L HA 0.214 4.553 4.340 -0.000 0.000 0.259 782 L C 0.801 177.463 176.870 -0.347 0.000 1.021 782 L CA -0.281 54.298 54.840 -0.435 0.000 0.871 782 L CB 2.162 43.959 42.059 -0.436 0.000 1.472 782 L HN 0.004 nan 8.230 nan 0.000 0.410 783 T N -3.486 110.970 114.554 -0.163 0.000 3.148 783 T HA 0.002 4.352 4.350 -0.000 0.000 0.253 783 T C 0.689 175.342 174.700 -0.079 0.000 1.134 783 T CA 0.552 62.619 62.100 -0.054 0.000 1.051 783 T CB -0.448 68.476 68.868 0.094 0.000 0.959 783 T HN 0.622 nan 8.240 nan 0.000 0.525 784 N N 0.697 119.299 118.700 -0.163 0.000 2.282 784 N HA 0.034 4.773 4.740 -0.000 0.000 0.240 784 N C 1.062 176.382 175.510 -0.317 0.000 1.182 784 N CA -0.700 52.216 53.050 -0.223 0.000 0.874 784 N CB -0.797 37.608 38.487 -0.137 0.000 1.126 784 N HN 0.617 nan 8.380 nan 0.000 0.516 785 Y N -0.089 119.982 120.300 -0.382 0.000 2.365 785 Y HA -0.112 4.438 4.550 -0.000 0.000 0.287 785 Y C 1.682 177.379 175.900 -0.338 0.000 1.162 785 Y CA 1.356 59.229 58.100 -0.379 0.000 1.260 785 Y CB -0.857 37.344 38.460 -0.431 0.000 0.976 785 Y HN 0.084 nan 8.280 nan 0.000 0.548 786 N N 0.399 118.482 118.700 -1.028 0.000 2.416 786 N HA -0.057 4.683 4.740 -0.000 0.000 0.177 786 N C 0.864 176.131 175.510 -0.404 0.000 1.036 786 N CA 1.084 53.643 53.050 -0.819 0.000 0.901 786 N CB 0.041 38.009 38.487 -0.865 0.000 0.976 786 N HN 0.307 nan 8.380 nan 0.000 0.444 787 V N -0.388 119.342 119.914 -0.307 0.000 3.578 787 V HA 0.300 4.420 4.120 -0.000 0.000 0.290 787 V C 0.264 176.291 176.094 -0.112 0.000 1.376 787 V CA 0.053 62.250 62.300 -0.172 0.000 1.083 787 V CB -0.207 31.535 31.823 -0.134 0.000 0.911 787 V HN 0.105 nan 8.190 nan 0.000 0.433 788 R N 1.214 121.643 120.500 -0.118 0.000 2.338 788 R HA 0.616 4.956 4.340 -0.000 0.000 0.317 788 R C -0.574 175.696 176.300 -0.050 0.000 0.968 788 R CA -0.322 55.753 56.100 -0.042 0.000 0.849 788 R CB 1.430 31.744 30.300 0.023 0.000 1.128 788 R HN 0.146 nan 8.270 nan 0.000 0.448 789 M N 4.295 123.885 119.600 -0.017 0.000 2.055 789 M HA 0.250 4.730 4.480 -0.000 0.000 0.347 789 M C -1.023 175.274 176.300 -0.006 0.000 1.123 789 M CA -0.626 54.665 55.300 -0.015 0.000 1.035 789 M CB 0.956 33.563 32.600 0.011 0.000 1.484 789 M HN 0.603 nan 8.290 nan 0.000 0.428 790 D N 1.350 121.729 120.400 -0.034 0.000 2.661 790 D HA 0.303 4.943 4.640 -0.000 0.000 0.228 790 D C -0.681 175.560 176.300 -0.099 0.000 1.183 790 D CA -0.584 53.383 54.000 -0.056 0.000 0.844 790 D CB 0.674 41.433 40.800 -0.068 0.000 1.555 790 D HN 0.383 nan 8.370 nan 0.000 0.453 791 T N -0.081 114.406 114.554 -0.112 0.000 2.759 791 T HA 0.397 4.747 4.350 -0.000 0.000 0.273 791 T C 0.719 175.333 174.700 -0.143 0.000 0.938 791 T CA -0.448 61.564 62.100 -0.147 0.000 1.197 791 T CB -0.935 67.858 68.868 -0.126 0.000 0.887 791 T HN 0.519 nan 8.240 nan 0.000 0.540 792 M N 0.592 120.094 119.600 -0.162 0.000 4.047 792 M HA -0.046 4.434 4.480 -0.000 0.000 0.157 792 M C -0.516 175.735 176.300 -0.081 0.000 1.532 792 M CA 0.205 55.444 55.300 -0.101 0.000 1.097 792 M CB -1.241 31.405 32.600 0.076 0.000 1.346 792 M HN 0.972 nan 8.290 nan 0.000 0.190 793 A N 4.045 126.887 122.820 0.037 0.000 2.497 793 A HA 0.674 4.994 4.320 -0.000 0.000 0.280 793 A C -0.908 176.852 177.584 0.293 0.000 1.065 793 A CA -0.833 51.252 52.037 0.081 0.000 0.781 793 A CB 1.126 20.202 19.000 0.127 0.000 1.289 793 A HN 0.722 nan 8.150 nan 0.000 0.415 794 N N 1.715 120.541 118.700 0.210 0.000 2.422 794 N HA 0.534 5.273 4.740 -0.000 0.000 0.266 794 N C -1.316 174.306 175.510 0.187 0.000 1.007 794 N CA -0.022 53.170 53.050 0.237 0.000 0.941 794 N CB 1.696 40.285 38.487 0.171 0.000 1.115 794 N HN 0.500 nan 8.380 nan 0.000 0.492 795 I N 2.469 123.127 120.570 0.147 0.000 2.466 795 I HA 0.233 4.403 4.170 -0.000 0.000 0.289 795 I C -0.293 175.841 176.117 0.028 0.000 1.026 795 I CA -0.625 60.673 61.300 -0.003 0.000 1.078 795 I CB 1.875 39.682 38.000 -0.322 0.000 1.249 795 I HN 0.295 nan 8.210 nan 0.000 0.429 796 L N 6.154 127.393 121.223 0.028 0.000 2.426 796 L HA 0.128 4.467 4.340 -0.000 0.000 0.271 796 L C 0.543 177.445 176.870 0.052 0.000 1.169 796 L CA 0.668 55.563 54.840 0.092 0.000 0.836 796 L CB 0.280 42.393 42.059 0.090 0.000 1.112 796 L HN 0.520 nan 8.230 nan 0.000 0.465 797 Y N 3.297 123.549 120.300 -0.080 0.000 2.133 797 Y HA -0.099 4.451 4.550 -0.000 0.000 0.287 797 Y C 0.171 175.774 175.900 -0.495 0.000 1.134 797 Y CA 1.514 59.455 58.100 -0.266 0.000 1.133 797 Y CB -0.052 38.309 38.460 -0.166 0.000 0.987 797 Y HN 0.480 nan 8.280 nan 0.000 0.502 798 Y N -0.039 120.338 120.300 0.128 0.000 2.787 798 Y HA 0.367 4.917 4.550 -0.000 0.000 0.352 798 Y C -2.472 173.415 175.900 -0.022 0.000 1.027 798 Y CA -3.119 54.998 58.100 0.029 0.000 1.219 798 Y CB 0.507 38.980 38.460 0.020 0.000 1.110 798 Y HN -0.084 nan 8.280 nan 0.000 0.614 799 P HA 0.165 nan 4.420 nan 0.000 0.271 799 P C -0.748 176.568 177.300 0.027 0.000 1.218 799 P CA -0.162 62.946 63.100 0.014 0.000 0.780 799 P CB 0.822 32.492 31.700 -0.048 0.000 0.901 800 Q N 1.227 121.057 119.800 0.051 0.000 2.347 800 Q HA 0.260 4.600 4.340 -0.000 0.000 0.271 800 Q C -0.406 175.688 176.000 0.156 0.000 1.064 800 Q CA -1.104 54.750 55.803 0.085 0.000 0.800 800 Q CB 2.521 31.310 28.738 0.085 0.000 1.304 800 Q HN 0.391 nan 8.270 nan 0.000 0.438 801 K N 1.903 122.328 120.400 0.041 0.000 2.298 801 K HA 0.362 4.682 4.320 -0.000 0.000 0.280 801 K C -2.365 174.186 176.600 -0.082 0.000 1.032 801 K CA -1.449 54.816 56.287 -0.036 0.000 0.958 801 K CB 0.356 32.819 32.500 -0.061 0.000 0.978 801 K HN 0.166 nan 8.250 nan 0.000 0.472 802 P HA -0.054 nan 4.420 nan 0.000 0.268 802 P C 0.432 177.606 177.300 -0.210 0.000 1.205 802 P CA -0.078 62.687 63.100 -0.559 0.000 0.771 802 P CB 0.743 31.934 31.700 -0.847 0.000 0.858 803 L N 1.484 122.643 121.223 -0.106 0.000 2.109 803 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 803 L C 1.672 178.486 176.870 -0.094 0.000 1.086 803 L CA 1.404 56.201 54.840 -0.072 0.000 0.760 803 L CB -0.707 41.331 42.059 -0.036 0.000 0.910 803 L HN 0.511 nan 8.230 nan 0.000 0.437 804 G N 0.441 109.174 108.800 -0.110 0.000 2.607 804 G HA2 0.378 4.338 3.960 -0.000 0.000 0.332 804 G HA3 0.378 4.338 3.960 -0.000 0.000 0.332 804 G C 0.044 174.812 174.900 -0.220 0.000 1.046 804 G CA -0.219 44.803 45.100 -0.130 0.000 1.099 804 G HN 0.116 nan 8.290 nan 0.000 0.451 805 T N -0.691 113.726 114.554 -0.228 0.000 2.927 805 T HA 0.687 5.037 4.350 -0.000 0.000 0.281 805 T C 0.212 174.729 174.700 -0.305 0.000 0.998 805 T CA -0.559 61.386 62.100 -0.259 0.000 1.019 805 T CB 1.924 70.666 68.868 -0.211 0.000 1.061 805 T HN 0.143 nan 8.240 nan 0.000 0.518 806 T N 1.617 115.985 114.554 -0.311 0.000 2.855 806 T HA 0.379 4.728 4.350 -0.000 0.000 0.281 806 T C 1.289 175.774 174.700 -0.358 0.000 1.007 806 T CA -0.948 60.965 62.100 -0.312 0.000 1.009 806 T CB 1.629 70.339 68.868 -0.264 0.000 0.983 806 T HN 0.458 nan 8.240 nan 0.000 0.455 807 R N 1.814 122.024 120.500 -0.483 0.000 2.170 807 R HA -0.085 4.255 4.340 -0.000 0.000 0.242 807 R C 2.179 178.085 176.300 -0.657 0.000 1.145 807 R CA 1.231 56.859 56.100 -0.787 0.000 0.984 807 R CB -0.946 28.442 30.300 -1.520 0.000 0.869 807 R HN 0.757 nan 8.270 nan 0.000 0.455 808 A N -0.072 122.566 122.820 -0.304 0.000 2.168 808 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 808 A C 2.072 179.618 177.584 -0.062 0.000 1.152 808 A CA 0.692 52.771 52.037 0.069 0.000 0.716 808 A CB -0.274 18.840 19.000 0.190 0.000 0.794 808 A HN 0.200 nan 8.150 nan 0.000 0.465 809 M N -1.203 118.272 119.600 -0.210 0.000 2.349 809 M HA -0.084 4.396 4.480 -0.000 0.000 0.266 809 M C 1.982 178.175 176.300 -0.178 0.000 1.076 809 M CA 1.299 56.502 55.300 -0.163 0.000 1.126 809 M CB -0.216 32.279 32.600 -0.175 0.000 1.392 809 M HN 0.620 nan 8.290 nan 0.000 0.440 810 E N 0.453 120.415 120.200 -0.396 0.000 2.171 810 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 810 E C 1.302 177.673 176.600 -0.383 0.000 0.997 810 E CA 1.618 57.745 56.400 -0.456 0.000 0.810 810 E CB 0.047 29.343 29.700 -0.674 0.000 0.738 810 E HN 0.645 nan 8.360 nan 0.000 0.467 811 Y N -0.547 119.722 120.300 -0.053 0.000 2.476 811 Y HA 0.110 4.660 4.550 -0.000 0.000 0.283 811 Y C 1.811 177.633 175.900 -0.129 0.000 1.109 811 Y CA 0.039 58.044 58.100 -0.158 0.000 1.246 811 Y CB 0.211 38.383 38.460 -0.479 0.000 1.068 811 Y HN -0.032 nan 8.280 nan 0.000 0.552 812 L N 0.713 121.968 121.223 0.053 0.000 2.627 812 L HA 0.021 4.361 4.340 -0.000 0.000 0.233 812 L C 0.317 177.373 176.870 0.309 0.000 1.144 812 L CA 0.272 55.189 54.840 0.129 0.000 0.892 812 L CB -0.376 41.733 42.059 0.084 0.000 1.039 812 L HN 0.154 nan 8.230 nan 0.000 0.442 813 K N -0.752 119.779 120.400 0.219 0.000 3.012 813 K HA -0.277 4.043 4.320 -0.000 0.000 0.259 813 K C 0.766 177.422 176.600 0.093 0.000 0.989 813 K CA 0.722 57.107 56.287 0.162 0.000 0.728 813 K CB -2.253 30.366 32.500 0.199 0.000 1.260 813 K HN 0.265 nan 8.250 nan 0.000 0.480 814 F N 1.198 121.142 119.950 -0.010 0.000 2.163 814 F HA -0.052 4.475 4.527 -0.000 0.000 0.297 814 F C 2.298 178.043 175.800 -0.092 0.000 1.094 814 F CA 1.180 59.161 58.000 -0.031 0.000 1.290 814 F CB 0.116 39.084 39.000 -0.052 0.000 1.017 814 F HN 0.082 nan 8.300 nan 0.000 0.483 815 R N -0.162 120.344 120.500 0.010 0.000 2.189 815 R HA -0.119 4.221 4.340 -0.000 0.000 0.223 815 R C 1.575 177.787 176.300 -0.147 0.000 1.092 815 R CA 1.347 57.402 56.100 -0.075 0.000 0.989 815 R CB -0.272 30.002 30.300 -0.045 0.000 0.876 815 R HN 0.298 nan 8.270 nan 0.000 0.457 816 E N 0.009 120.094 120.200 -0.192 0.000 2.216 816 E HA 0.106 4.456 4.350 -0.000 0.000 0.192 816 E C 0.259 176.568 176.600 -0.485 0.000 0.973 816 E CA 0.619 56.850 56.400 -0.282 0.000 0.851 816 E CB 0.507 30.067 29.700 -0.233 0.000 0.804 816 E HN 0.109 nan 8.360 nan 0.000 0.477 817 L N 1.996 122.898 121.223 -0.534 0.000 2.594 817 L HA 0.363 4.703 4.340 -0.000 0.000 0.245 817 L C -2.441 174.132 176.870 -0.495 0.000 1.460 817 L CA -1.681 52.834 54.840 -0.540 0.000 0.865 817 L CB 1.007 42.626 42.059 -0.732 0.000 1.131 817 L HN -0.084 nan 8.230 nan 0.000 0.506 818 P HA 0.215 nan 4.420 nan 0.000 0.274 818 P C -0.573 176.524 177.300 -0.339 0.000 1.237 818 P CA -0.337 62.374 63.100 -0.648 0.000 0.793 818 P CB 1.735 33.248 31.700 -0.311 0.000 0.977 819 A N 1.220 123.901 122.820 -0.231 0.000 2.893 819 A HA 0.707 5.026 4.320 -0.000 0.000 0.333 819 A C 0.176 177.839 177.584 0.133 0.000 1.152 819 A CA 0.010 52.068 52.037 0.035 0.000 0.782 819 A CB -0.269 18.801 19.000 0.115 0.000 1.108 819 A HN 0.861 nan 8.150 nan 0.000 0.469 820 G N 0.399 109.222 108.800 0.039 0.000 2.353 820 G HA2 0.338 4.297 3.960 -0.000 0.000 0.424 820 G HA3 0.338 4.297 3.960 -0.000 0.000 0.424 820 G C -1.333 173.374 174.900 -0.322 0.000 1.320 820 G CA -0.853 44.154 45.100 -0.155 0.000 0.995 820 G HN 0.724 nan 8.290 nan 0.000 0.580 821 Q N -0.835 118.694 119.800 -0.451 0.000 2.484 821 Q HA 0.468 4.808 4.340 -0.000 0.000 0.285 821 Q C -0.640 175.221 176.000 -0.231 0.000 1.097 821 Q CA -1.068 54.507 55.803 -0.380 0.000 0.802 821 Q CB 1.988 30.284 28.738 -0.736 0.000 1.444 821 Q HN 0.402 nan 8.270 nan 0.000 0.429 822 N N 1.057 119.732 118.700 -0.041 0.000 3.188 822 N HA 0.250 4.990 4.740 -0.000 0.000 0.279 822 N C -1.074 174.398 175.510 -0.062 0.000 1.213 822 N CA 0.063 53.150 53.050 0.061 0.000 1.138 822 N CB 0.646 39.193 38.487 0.100 0.000 1.417 822 N HN 0.543 nan 8.380 nan 0.000 0.526 823 A N 1.633 124.404 122.820 -0.083 0.000 2.425 823 A HA 0.254 4.574 4.320 -0.000 0.000 0.242 823 A C 0.658 178.145 177.584 -0.162 0.000 1.077 823 A CA -0.215 51.738 52.037 -0.141 0.000 0.781 823 A CB 0.441 19.370 19.000 -0.118 0.000 1.020 823 A HN 0.413 nan 8.150 nan 0.000 0.494 824 I N 3.302 123.742 120.570 -0.216 0.000 2.278 824 I HA 0.116 4.286 4.170 -0.000 0.000 0.296 824 I C -0.146 175.723 176.117 -0.412 0.000 1.121 824 I CA 0.194 61.288 61.300 -0.343 0.000 1.267 824 I CB -0.239 37.553 38.000 -0.345 0.000 1.447 824 I HN 0.196 nan 8.210 nan 0.000 0.509 825 V N 5.739 125.418 119.914 -0.392 0.000 2.509 825 V HA 0.602 4.721 4.120 -0.000 0.000 0.284 825 V C 0.620 176.522 176.094 -0.320 0.000 1.047 825 V CA -0.595 61.527 62.300 -0.297 0.000 0.952 825 V CB 1.569 33.318 31.823 -0.123 0.000 0.988 825 V HN 0.836 nan 8.190 nan 0.000 0.469 826 A N 5.694 128.430 122.820 -0.140 0.000 2.319 826 A HA 0.758 5.078 4.320 -0.000 0.000 0.310 826 A C -0.526 177.089 177.584 0.052 0.000 1.152 826 A CA -0.577 51.474 52.037 0.023 0.000 0.783 826 A CB 0.581 19.702 19.000 0.202 0.000 1.184 826 A HN 0.785 nan 8.150 nan 0.000 0.474 827 I N 2.639 123.269 120.570 0.100 0.000 2.278 827 I HA 0.467 4.637 4.170 -0.000 0.000 0.296 827 I C 0.515 176.666 176.117 0.058 0.000 1.121 827 I CA 0.388 61.734 61.300 0.077 0.000 1.267 827 I CB 0.378 38.431 38.000 0.088 0.000 1.447 827 I HN 0.710 nan 8.210 nan 0.000 0.509 828 A N 5.179 128.031 122.820 0.052 0.000 2.589 828 A HA 0.520 4.839 4.320 -0.000 0.000 0.296 828 A C -0.931 176.710 177.584 0.095 0.000 1.062 828 A CA -0.518 51.559 52.037 0.067 0.000 0.686 828 A CB 1.093 20.139 19.000 0.076 0.000 1.282 828 A HN 0.621 nan 8.150 nan 0.000 0.404 829 C N 2.145 121.502 119.300 0.095 0.000 2.566 829 C HA 0.496 4.956 4.460 -0.000 0.000 0.393 829 C C 0.727 175.865 174.990 0.247 0.000 1.309 829 C CA 0.288 59.387 59.018 0.136 0.000 1.801 829 C CB -1.413 26.381 27.740 0.089 0.000 2.493 829 C HN 0.844 nan 8.230 nan 0.000 0.575 830 Y N 2.265 122.619 120.300 0.089 0.000 2.710 830 Y HA 0.145 4.695 4.550 -0.000 0.000 0.117 830 Y C 2.403 178.387 175.900 0.140 0.000 0.875 830 Y CA 1.036 59.197 58.100 0.101 0.000 1.795 830 Y CB -0.643 37.901 38.460 0.140 0.000 1.154 830 Y HN 0.563 nan 8.280 nan 0.000 0.308 831 S N 0.053 115.923 115.700 0.283 0.000 2.507 831 S HA 0.106 4.576 4.470 -0.000 0.000 0.235 831 S C 1.504 176.242 174.600 0.229 0.000 0.988 831 S CA 0.797 59.171 58.200 0.291 0.000 0.944 831 S CB -0.785 62.858 63.200 0.739 0.000 0.762 831 S HN 1.268 nan 8.310 nan 0.000 0.526 832 G N 0.150 109.062 108.800 0.187 0.000 2.198 832 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 832 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 832 G C 0.021 174.892 174.900 -0.048 0.000 1.042 832 G CA 0.403 45.539 45.100 0.060 0.000 0.791 832 G HN 0.610 nan 8.290 nan 0.000 0.502 833 Y N 0.358 120.723 120.300 0.109 0.000 2.524 833 Y HA 0.242 4.792 4.550 -0.000 0.000 0.266 833 Y C 1.569 177.494 175.900 0.041 0.000 1.180 833 Y CA 0.423 58.558 58.100 0.058 0.000 1.244 833 Y CB 0.588 39.059 38.460 0.017 0.000 1.125 833 Y HN 0.477 nan 8.280 nan 0.000 0.524 834 N N -1.493 117.297 118.700 0.150 0.000 2.377 834 N HA 0.085 4.825 4.740 -0.000 0.000 0.259 834 N C -0.564 175.001 175.510 0.093 0.000 1.332 834 N CA -0.207 52.914 53.050 0.118 0.000 0.877 834 N CB -0.260 38.302 38.487 0.125 0.000 1.299 834 N HN 0.195 nan 8.380 nan 0.000 0.501 835 Q N 0.626 120.467 119.800 0.069 0.000 2.317 835 Q HA 0.260 4.600 4.340 -0.000 0.000 0.229 835 Q C -0.144 175.882 176.000 0.043 0.000 0.984 835 Q CA -0.360 55.480 55.803 0.062 0.000 0.911 835 Q CB 0.713 29.468 28.738 0.028 0.000 1.217 835 Q HN 0.144 nan 8.270 nan 0.000 0.501 836 E N 1.459 121.682 120.200 0.038 0.000 2.586 836 E HA -0.288 4.062 4.350 -0.000 0.000 0.259 836 E C -0.892 175.727 176.600 0.032 0.000 1.107 836 E CA 1.081 57.494 56.400 0.022 0.000 0.754 836 E CB -1.197 28.503 29.700 0.000 0.000 1.335 836 E HN 0.842 nan 8.360 nan 0.000 0.411 837 D N -2.215 118.217 120.400 0.052 0.000 3.102 837 D HA -0.132 4.508 4.640 -0.000 0.000 0.210 837 D C 0.075 176.413 176.300 0.063 0.000 1.077 837 D CA 1.356 55.392 54.000 0.059 0.000 0.969 837 D CB -1.692 39.134 40.800 0.043 0.000 1.084 837 D HN 0.479 nan 8.370 nan 0.000 0.432 838 S N -0.102 115.635 115.700 0.063 0.000 2.646 838 S HA 0.769 5.239 4.470 -0.000 0.000 0.276 838 S C 0.432 175.078 174.600 0.077 0.000 1.222 838 S CA -0.852 57.390 58.200 0.069 0.000 1.014 838 S CB 2.137 65.375 63.200 0.064 0.000 0.991 838 S HN 0.277 nan 8.310 nan 0.000 0.533 839 M N 0.903 120.543 119.600 0.066 0.000 2.386 839 M HA 0.556 5.035 4.480 -0.000 0.000 0.293 839 M C -1.412 174.887 176.300 -0.003 0.000 1.120 839 M CA -0.736 54.585 55.300 0.036 0.000 0.909 839 M CB 1.234 33.843 32.600 0.016 0.000 1.661 839 M HN 0.466 nan 8.290 nan 0.000 0.452 840 I N 3.321 123.892 120.570 0.001 0.000 2.441 840 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 840 I C -0.279 175.792 176.117 -0.076 0.000 1.049 840 I CA -0.049 61.228 61.300 -0.038 0.000 1.381 840 I CB 1.128 39.155 38.000 0.045 0.000 1.409 840 I HN 0.770 nan 8.210 nan 0.000 0.523 841 M N 5.518 125.053 119.600 -0.108 0.000 2.436 841 M HA 0.329 4.809 4.480 -0.000 0.000 0.331 841 M C -0.267 176.004 176.300 -0.049 0.000 1.135 841 M CA -0.735 54.495 55.300 -0.117 0.000 0.987 841 M CB 1.515 34.009 32.600 -0.177 0.000 1.687 841 M HN 0.470 nan 8.290 nan 0.000 0.445 842 N N 2.878 121.559 118.700 -0.031 0.000 2.399 842 N HA -0.061 4.679 4.740 -0.000 0.000 0.284 842 N C 0.622 176.134 175.510 0.004 0.000 1.283 842 N CA 0.376 53.433 53.050 0.012 0.000 0.972 842 N CB 0.615 39.101 38.487 -0.001 0.000 1.328 842 N HN 0.645 nan 8.380 nan 0.000 0.486 843 Q N 2.035 121.848 119.800 0.022 0.000 2.173 843 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 843 Q C 1.338 177.343 176.000 0.008 0.000 0.989 843 Q CA 1.862 57.672 55.803 0.012 0.000 0.872 843 Q CB -0.172 28.580 28.738 0.023 0.000 0.909 843 Q HN 0.641 nan 8.270 nan 0.000 0.420 844 S N -0.371 115.337 115.700 0.014 0.000 2.368 844 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 844 S C 1.926 176.517 174.600 -0.014 0.000 1.030 844 S CA 1.236 59.437 58.200 0.002 0.000 0.999 844 S CB -0.511 62.693 63.200 0.006 0.000 0.844 844 S HN 0.736 nan 8.310 nan 0.000 0.459 845 S N 1.758 117.447 115.700 -0.019 0.000 2.382 845 S HA -0.037 4.433 4.470 -0.000 0.000 0.228 845 S C 1.796 176.375 174.600 -0.035 0.000 1.027 845 S CA 0.933 59.110 58.200 -0.039 0.000 0.991 845 S CB -0.743 62.426 63.200 -0.052 0.000 0.823 845 S HN 0.459 nan 8.310 nan 0.000 0.469 846 I N 2.430 122.990 120.570 -0.016 0.000 2.179 846 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 846 I C 2.099 178.206 176.117 -0.015 0.000 1.088 846 I CA 1.754 63.053 61.300 -0.002 0.000 1.357 846 I CB -0.559 37.447 38.000 0.009 0.000 1.051 846 I HN 0.213 nan 8.210 nan 0.000 0.409 847 D N 0.640 121.031 120.400 -0.015 0.000 2.221 847 D HA -0.165 4.475 4.640 -0.000 0.000 0.204 847 D C 2.099 178.387 176.300 -0.020 0.000 0.982 847 D CA 1.078 55.069 54.000 -0.015 0.000 0.857 847 D CB -0.186 40.608 40.800 -0.010 0.000 0.934 847 D HN 0.316 nan 8.370 nan 0.000 0.475 848 R N -0.977 119.503 120.500 -0.033 0.000 2.297 848 R HA 0.246 4.586 4.340 -0.000 0.000 0.197 848 R C 1.126 177.388 176.300 -0.063 0.000 0.943 848 R CA 0.659 56.727 56.100 -0.052 0.000 1.038 848 R CB 0.619 30.877 30.300 -0.070 0.000 0.957 848 R HN 0.198 nan 8.270 nan 0.000 0.484 849 G N 1.070 109.849 108.800 -0.035 0.000 2.183 849 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.168 849 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.168 849 G C -0.182 174.730 174.900 0.019 0.000 1.008 849 G CA -0.598 44.511 45.100 0.016 0.000 0.677 849 G HN 0.199 nan 8.290 nan 0.000 0.498 850 L N 0.908 122.109 121.223 -0.037 0.000 2.562 850 L HA 0.601 4.940 4.340 -0.000 0.000 0.271 850 L C 1.071 177.980 176.870 0.064 0.000 1.167 850 L CA 0.860 55.645 54.840 -0.092 0.000 0.917 850 L CB -0.634 41.364 42.059 -0.101 0.000 1.187 850 L HN 0.557 nan 8.230 nan 0.000 0.482 851 F N 2.363 122.345 119.950 0.053 0.000 3.018 851 F HA -0.277 4.250 4.527 -0.000 0.000 0.287 851 F C 1.024 176.867 175.800 0.071 0.000 0.813 851 F CA 0.383 58.444 58.000 0.101 0.000 1.209 851 F CB -0.994 38.108 39.000 0.170 0.000 1.321 851 F HN 0.579 nan 8.300 nan 0.000 0.477 852 R N 0.683 121.254 120.500 0.117 0.000 2.582 852 R HA 0.572 4.912 4.340 -0.000 0.000 0.271 852 R C 0.407 176.755 176.300 0.080 0.000 1.078 852 R CA 0.538 56.576 56.100 -0.103 0.000 1.127 852 R CB 1.295 31.172 30.300 -0.705 0.000 1.038 852 R HN 0.240 nan 8.270 nan 0.000 0.500 853 S N 1.404 117.169 115.700 0.107 0.000 2.618 853 S HA 0.525 4.995 4.470 -0.000 0.000 0.277 853 S C -0.677 174.093 174.600 0.284 0.000 1.138 853 S CA -1.046 57.308 58.200 0.258 0.000 0.844 853 S CB 1.207 64.500 63.200 0.155 0.000 1.127 853 S HN 0.343 nan 8.310 nan 0.000 0.474 854 L N 1.465 122.826 121.223 0.230 0.000 2.360 854 L HA 0.678 5.018 4.340 -0.000 0.000 0.271 854 L C -1.058 175.859 176.870 0.078 0.000 1.057 854 L CA -0.764 54.118 54.840 0.071 0.000 0.803 854 L CB 1.151 43.188 42.059 -0.036 0.000 1.207 854 L HN 0.781 nan 8.230 nan 0.000 0.445 855 F N 2.751 122.514 119.950 -0.311 0.000 2.828 855 F HA 0.489 5.016 4.527 -0.000 0.000 0.355 855 F C -1.297 174.334 175.800 -0.281 0.000 1.200 855 F CA -0.902 56.992 58.000 -0.176 0.000 1.062 855 F CB 0.633 39.583 39.000 -0.082 0.000 1.351 855 F HN 0.057 nan 8.300 nan 0.000 0.504 856 F N 4.798 124.494 119.950 -0.423 0.000 2.399 856 F HA 0.635 5.162 4.527 -0.000 0.000 0.334 856 F C 0.277 175.619 175.800 -0.764 0.000 1.097 856 F CA -0.642 57.097 58.000 -0.436 0.000 1.076 856 F CB 1.404 40.314 39.000 -0.151 0.000 1.162 856 F HN 0.385 nan 8.300 nan 0.000 0.495 857 R N 1.374 121.598 120.500 -0.460 0.000 2.502 857 R HA 0.460 4.800 4.340 -0.000 0.000 0.298 857 R C -1.542 174.567 176.300 -0.319 0.000 1.018 857 R CA -0.481 55.340 56.100 -0.466 0.000 0.899 857 R CB 1.400 31.363 30.300 -0.561 0.000 1.181 857 R HN 0.807 nan 8.270 nan 0.000 0.444 858 S N 3.574 119.109 115.700 -0.276 0.000 2.442 858 S HA 0.430 4.899 4.470 -0.000 0.000 0.297 858 S C -0.664 173.762 174.600 -0.290 0.000 1.131 858 S CA -0.704 57.390 58.200 -0.177 0.000 1.092 858 S CB 0.708 63.869 63.200 -0.064 0.000 0.998 858 S HN 0.398 nan 8.310 nan 0.000 0.478 859 Y N 2.130 122.393 120.300 -0.061 0.000 2.432 859 Y HA 0.700 5.249 4.550 -0.000 0.000 0.322 859 Y C 0.474 176.312 175.900 -0.103 0.000 1.246 859 Y CA -1.127 56.933 58.100 -0.066 0.000 1.268 859 Y CB 1.062 39.483 38.460 -0.064 0.000 1.276 859 Y HN 0.641 nan 8.280 nan 0.000 0.499 860 M N 1.814 121.436 119.600 0.036 0.000 2.520 860 M HA 0.441 4.921 4.480 -0.000 0.000 0.280 860 M C -2.602 173.623 176.300 -0.125 0.000 1.232 860 M CA -0.362 54.859 55.300 -0.133 0.000 0.892 860 M CB 2.823 35.304 32.600 -0.198 0.000 1.728 860 M HN 0.791 nan 8.290 nan 0.000 0.475 861 D N 1.616 121.886 120.400 -0.216 0.000 2.717 861 D HA 0.439 5.079 4.640 -0.000 0.000 0.223 861 D C -1.520 174.839 176.300 0.099 0.000 1.240 861 D CA -0.003 53.990 54.000 -0.011 0.000 0.801 861 D CB 2.457 43.341 40.800 0.139 0.000 1.556 861 D HN 0.759 nan 8.370 nan 0.000 0.462 862 Q N 0.486 120.386 119.800 0.167 0.000 3.018 862 Q HA 0.618 4.958 4.340 -0.000 0.000 0.209 862 Q C -0.301 175.698 176.000 -0.002 0.000 1.036 862 Q CA -0.738 55.184 55.803 0.199 0.000 0.886 862 Q CB 1.714 30.578 28.738 0.210 0.000 2.058 862 Q HN 0.349 nan 8.270 nan 0.000 0.452 869 S N 2.397 118.094 115.700 -0.005 0.000 3.420 869 S HA -0.168 4.302 4.470 -0.000 0.000 0.367 869 S C -0.471 174.124 174.600 -0.009 0.000 1.063 869 S CA 1.358 59.554 58.200 -0.007 0.000 1.073 869 S CB -2.468 60.728 63.200 -0.005 0.000 0.905 869 S HN 0.669 nan 8.310 nan 0.000 0.485 870 I N 1.468 122.032 120.570 -0.009 0.000 2.502 870 I HA 0.361 4.531 4.170 -0.000 0.000 0.276 870 I C 0.082 176.187 176.117 -0.018 0.000 1.057 870 I CA -0.189 61.104 61.300 -0.012 0.000 1.163 870 I CB 1.497 39.492 38.000 -0.008 0.000 1.288 870 I HN 0.178 nan 8.210 nan 0.000 0.479 871 T N 3.682 118.220 114.554 -0.027 0.000 2.856 871 T HA 0.405 4.755 4.350 -0.000 0.000 0.283 871 T C -0.162 174.501 174.700 -0.061 0.000 1.008 871 T CA -0.834 61.240 62.100 -0.042 0.000 0.997 871 T CB 1.672 70.515 68.868 -0.042 0.000 0.992 871 T HN 0.364 nan 8.240 nan 0.000 0.454 872 E N 1.332 121.477 120.200 -0.091 0.000 2.349 872 E HA 0.504 4.854 4.350 -0.000 0.000 0.265 872 E C -0.529 175.947 176.600 -0.207 0.000 1.064 872 E CA -0.575 55.745 56.400 -0.133 0.000 0.886 872 E CB 0.811 30.419 29.700 -0.153 0.000 1.036 872 E HN 0.433 nan 8.360 nan 0.000 0.413 873 T N 2.015 116.446 114.554 -0.204 0.000 2.991 873 T HA 0.275 4.625 4.350 -0.000 0.000 0.303 873 T C -0.661 173.956 174.700 -0.138 0.000 1.015 873 T CA -0.689 61.291 62.100 -0.201 0.000 1.007 873 T CB 0.367 69.191 68.868 -0.074 0.000 1.034 873 T HN 0.258 nan 8.240 nan 0.000 0.446 874 F N 3.862 123.823 119.950 0.018 0.000 2.506 874 F HA 0.400 4.927 4.527 -0.000 0.000 0.371 874 F C 1.284 177.093 175.800 0.015 0.000 1.078 874 F CA -0.106 57.904 58.000 0.017 0.000 1.195 874 F CB 0.410 39.419 39.000 0.015 0.000 1.099 874 F HN 0.633 nan 8.300 nan 0.000 0.548 875 E N 1.425 121.751 120.200 0.210 0.000 2.432 875 E HA 0.198 4.548 4.350 -0.000 0.000 0.279 875 E C -1.653 175.004 176.600 0.094 0.000 1.099 875 E CA -1.350 55.118 56.400 0.115 0.000 0.859 875 E CB 1.229 30.969 29.700 0.067 0.000 1.402 875 E HN 0.342 nan 8.360 nan 0.000 0.451 876 K N 2.105 122.539 120.400 0.057 0.000 2.231 876 K HA 0.268 4.588 4.320 -0.000 0.000 0.255 876 K C -2.098 174.484 176.600 -0.029 0.000 1.108 876 K CA -1.875 54.437 56.287 0.042 0.000 0.997 876 K CB 0.363 32.886 32.500 0.038 0.000 1.549 876 K HN 0.329 nan 8.250 nan 0.000 0.419 877 P HA -0.042 nan 4.420 nan 0.000 0.270 877 P C -0.871 176.307 177.300 -0.204 0.000 1.227 877 P CA 0.104 63.122 63.100 -0.136 0.000 0.788 877 P CB 0.568 32.171 31.700 -0.162 0.000 0.926 878 Q N 0.799 120.508 119.800 -0.151 0.000 3.112 878 Q HA 0.172 4.512 4.340 -0.000 0.000 0.300 878 Q C -0.305 175.634 176.000 -0.102 0.000 0.760 878 Q CA -0.528 55.193 55.803 -0.136 0.000 0.979 878 Q CB 0.834 29.520 28.738 -0.086 0.000 1.512 878 Q HN 0.372 nan 8.270 nan 0.000 0.378 879 R N -1.389 119.043 120.500 -0.113 0.000 4.066 879 R HA -0.149 4.191 4.340 -0.000 0.000 0.288 879 R C -0.412 175.858 176.300 -0.050 0.000 0.241 879 R CA 1.249 57.306 56.100 -0.072 0.000 0.984 879 R CB -2.379 27.887 30.300 -0.056 0.000 1.043 879 R HN 0.555 nan 8.270 nan 0.000 0.539 880 T N 1.291 115.823 114.554 -0.036 0.000 1.726 880 T HA -0.109 4.241 4.350 -0.000 0.000 0.622 880 T C 0.467 175.155 174.700 -0.020 0.000 0.932 880 T CA 0.954 63.038 62.100 -0.026 0.000 3.307 880 T CB -0.513 68.340 68.868 -0.026 0.000 1.917 880 T HN 0.510 nan 8.240 nan 0.000 0.408 881 N N 0.777 119.468 118.700 -0.015 0.000 2.220 881 N HA 0.046 4.786 4.740 -0.000 0.000 0.195 881 N C 2.116 177.618 175.510 -0.012 0.000 1.123 881 N CA 0.845 53.887 53.050 -0.014 0.000 0.874 881 N CB 0.100 38.581 38.487 -0.010 0.000 0.995 881 N HN 0.913 nan 8.380 nan 0.000 0.498 882 T N 0.177 114.724 114.554 -0.012 0.000 2.321 882 T HA -0.291 4.059 4.350 -0.000 0.000 0.224 882 T C 1.296 175.991 174.700 -0.007 0.000 1.498 882 T CA 2.072 64.167 62.100 -0.008 0.000 1.144 882 T CB -0.452 68.411 68.868 -0.008 0.000 0.853 882 T HN 0.276 nan 8.240 nan 0.000 0.411 883 L N -2.362 118.853 121.223 -0.013 0.000 2.583 883 L HA -0.110 4.230 4.340 -0.000 0.000 0.464 883 L C 0.722 177.592 176.870 0.001 0.000 0.736 883 L CA 0.400 55.234 54.840 -0.011 0.000 2.687 883 L CB -0.964 41.092 42.059 -0.004 0.000 1.013 883 L HN 0.345 nan 8.230 nan 0.000 0.629 884 R N 1.650 122.153 120.500 0.006 0.000 2.630 884 R HA 0.280 4.619 4.340 -0.000 0.000 0.286 884 R C 0.072 176.392 176.300 0.034 0.000 1.391 884 R CA 0.589 56.702 56.100 0.022 0.000 1.027 884 R CB 0.026 30.338 30.300 0.021 0.000 1.099 884 R HN 0.263 nan 8.270 nan 0.000 0.525 885 M N 1.031 120.663 119.600 0.052 0.000 2.812 885 M HA 0.430 4.909 4.480 -0.000 0.000 0.285 885 M C -0.246 176.147 176.300 0.156 0.000 1.216 885 M CA -0.864 54.498 55.300 0.104 0.000 0.749 885 M CB 2.236 34.860 32.600 0.040 0.000 1.756 885 M HN 0.150 nan 8.290 nan 0.000 0.439 886 K N -0.371 120.187 120.400 0.263 0.000 2.306 886 K HA 0.315 4.635 4.320 -0.000 0.000 0.236 886 K C 0.718 177.437 176.600 0.199 0.000 1.013 886 K CA -0.764 55.637 56.287 0.191 0.000 0.857 886 K CB 1.665 34.233 32.500 0.112 0.000 1.214 886 K HN 0.675 nan 8.250 nan 0.000 0.449 887 H N 1.035 120.137 119.070 0.053 0.000 2.389 887 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 887 H C 0.622 175.952 175.328 0.004 0.000 1.081 887 H CA 1.218 57.286 56.048 0.035 0.000 1.345 887 H CB 0.087 29.856 29.762 0.012 0.000 1.393 887 H HN 0.801 nan 8.280 nan 0.000 0.520 888 G N 0.553 109.259 108.800 -0.156 0.000 2.818 888 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.235 888 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.235 888 G C -0.485 174.212 174.900 -0.339 0.000 1.244 888 G CA 0.123 45.050 45.100 -0.289 0.000 0.853 888 G HN 0.334 nan 8.290 nan 0.000 0.596 889 T N 1.190 115.570 114.554 -0.291 0.000 2.743 889 T HA 0.269 4.619 4.350 -0.000 0.000 0.293 889 T C 0.254 174.833 174.700 -0.202 0.000 0.945 889 T CA 0.018 62.015 62.100 -0.172 0.000 1.030 889 T CB 0.773 69.572 68.868 -0.116 0.000 0.912 889 T HN 0.431 nan 8.240 nan 0.000 0.483 890 Y N 0.603 120.865 120.300 -0.063 0.000 2.482 890 Y HA 0.094 4.644 4.550 -0.000 0.000 0.270 890 Y C 1.945 177.821 175.900 -0.040 0.000 1.152 890 Y CA -0.270 57.802 58.100 -0.047 0.000 1.292 890 Y CB 0.137 38.576 38.460 -0.035 0.000 1.070 890 Y HN 0.573 nan 8.280 nan 0.000 0.528 891 D N 0.376 120.826 120.400 0.083 0.000 2.310 891 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 891 D C 1.428 177.739 176.300 0.018 0.000 0.965 891 D CA 1.060 55.087 54.000 0.044 0.000 0.879 891 D CB 0.052 40.864 40.800 0.021 0.000 0.921 891 D HN 0.375 nan 8.370 nan 0.000 0.510 892 K N -0.187 120.211 120.400 -0.002 0.000 2.361 892 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 892 K C 0.731 177.323 176.600 -0.013 0.000 1.039 892 K CA -0.060 56.217 56.287 -0.017 0.000 1.001 892 K CB 0.491 32.967 32.500 -0.039 0.000 0.795 892 K HN 0.067 nan 8.250 nan 0.000 0.495 893 L N 1.709 122.934 121.223 0.004 0.000 2.417 893 L HA 0.038 4.378 4.340 -0.000 0.000 0.268 893 L C 0.322 177.201 176.870 0.015 0.000 1.158 893 L CA -0.290 54.555 54.840 0.008 0.000 0.819 893 L CB 0.502 42.587 42.059 0.044 0.000 1.112 893 L HN 0.021 nan 8.230 nan 0.000 0.458 894 D N 0.052 120.455 120.400 0.005 0.000 2.425 894 D HA 0.031 4.671 4.640 -0.000 0.000 0.274 894 D C 0.782 177.094 176.300 0.020 0.000 1.242 894 D CA -0.306 53.700 54.000 0.009 0.000 1.060 894 D CB 0.526 41.327 40.800 0.002 0.000 1.112 894 D HN 0.445 nan 8.370 nan 0.000 0.561 895 D N -0.288 120.124 120.400 0.020 0.000 2.183 895 D HA -0.123 4.516 4.640 -0.000 0.000 0.203 895 D C 1.071 177.395 176.300 0.040 0.000 0.969 895 D CA 0.715 54.731 54.000 0.027 0.000 0.842 895 D CB -0.009 40.804 40.800 0.022 0.000 0.957 895 D HN 0.440 nan 8.370 nan 0.000 0.484 896 D N 0.103 120.525 120.400 0.036 0.000 2.378 896 D HA -0.068 4.572 4.640 -0.000 0.000 0.222 896 D C 1.552 177.889 176.300 0.062 0.000 0.980 896 D CA 1.069 55.099 54.000 0.051 0.000 0.907 896 D CB -0.362 40.455 40.800 0.029 0.000 0.899 896 D HN 0.263 nan 8.370 nan 0.000 0.527 897 G N -0.183 108.644 108.800 0.045 0.000 2.157 897 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 897 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 897 G C -0.022 174.858 174.900 -0.034 0.000 0.979 897 G CA 0.280 45.410 45.100 0.049 0.000 0.650 897 G HN 0.411 nan 8.290 nan 0.000 0.529 898 L N 0.715 121.902 121.223 -0.061 0.000 2.334 898 L HA 0.636 4.976 4.340 -0.000 0.000 0.276 898 L C 0.861 177.693 176.870 -0.064 0.000 1.014 898 L CA -1.325 53.454 54.840 -0.103 0.000 0.815 898 L CB 1.681 43.663 42.059 -0.128 0.000 1.268 898 L HN 0.031 nan 8.230 nan 0.000 0.428 899 I N 1.700 122.226 120.570 -0.073 0.000 2.519 899 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 899 I C 0.677 176.769 176.117 -0.042 0.000 1.047 899 I CA -0.222 61.046 61.300 -0.054 0.000 1.381 899 I CB 1.281 39.242 38.000 -0.065 0.000 1.417 899 I HN 0.630 nan 8.210 nan 0.000 0.540 900 A N 7.101 129.904 122.820 -0.028 0.000 2.322 900 A HA 0.464 4.784 4.320 -0.000 0.000 0.269 900 A C -1.705 175.870 177.584 -0.015 0.000 1.094 900 A CA -1.329 50.697 52.037 -0.019 0.000 0.807 900 A CB 0.142 19.134 19.000 -0.013 0.000 1.047 900 A HN 0.540 nan 8.150 nan 0.000 0.487 901 P HA -0.215 nan 4.420 nan 0.000 0.209 901 P C 1.780 179.082 177.300 0.003 0.000 1.167 901 P CA 2.415 65.516 63.100 0.001 0.000 0.941 901 P CB -0.091 31.611 31.700 0.004 0.000 0.787 902 G N -0.316 108.486 108.800 0.003 0.000 2.545 902 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.222 902 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.222 902 G C 0.338 175.239 174.900 0.000 0.000 1.126 902 G CA 0.641 45.743 45.100 0.004 0.000 0.754 902 G HN 0.249 nan 8.290 nan 0.000 0.583 903 V N 1.067 120.977 119.914 -0.005 0.000 2.625 903 V HA -0.011 4.109 4.120 -0.000 0.000 0.305 903 V C 1.035 177.123 176.094 -0.010 0.000 1.055 903 V CA 0.197 62.491 62.300 -0.010 0.000 1.209 903 V CB 0.250 32.062 31.823 -0.018 0.000 0.877 903 V HN 0.451 nan 8.190 nan 0.000 0.489 904 R N 4.094 124.589 120.500 -0.009 0.000 2.308 904 R HA 0.574 4.914 4.340 -0.000 0.000 0.305 904 R C -0.448 175.842 176.300 -0.016 0.000 1.053 904 R CA -0.442 55.654 56.100 -0.007 0.000 0.957 904 R CB 1.317 31.616 30.300 -0.001 0.000 1.022 904 R HN 0.732 nan 8.270 nan 0.000 0.461 905 V N 0.787 120.691 119.914 -0.017 0.000 3.103 905 V HA 0.878 4.998 4.120 -0.000 0.000 0.318 905 V C -0.456 175.627 176.094 -0.017 0.000 1.114 905 V CA -0.341 61.941 62.300 -0.031 0.000 1.020 905 V CB 1.851 33.644 31.823 -0.051 0.000 1.085 905 V HN 1.030 nan 8.190 nan 0.000 0.446 906 S N -0.165 115.519 115.700 -0.026 0.000 2.755 906 S HA 0.821 5.291 4.470 -0.000 0.000 0.286 906 S C 0.860 175.451 174.600 -0.015 0.000 1.207 906 S CA 0.282 58.477 58.200 -0.008 0.000 0.892 906 S CB 0.534 63.734 63.200 0.001 0.000 1.240 906 S HN 2.627 nan 8.310 nan 0.000 0.525 907 G N 1.528 110.332 108.800 0.005 0.000 2.678 907 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.362 907 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.362 907 G C 0.269 175.169 174.900 0.000 0.000 1.169 907 G CA 1.263 46.371 45.100 0.013 0.000 0.933 907 G HN 1.027 nan 8.290 nan 0.000 0.587 908 E N 1.300 121.491 120.200 -0.014 0.000 2.651 908 E HA 0.264 4.614 4.350 -0.000 0.000 0.208 908 E C -0.689 175.837 176.600 -0.123 0.000 0.997 908 E CA -0.192 56.184 56.400 -0.040 0.000 1.020 908 E CB 0.285 29.999 29.700 0.023 0.000 1.052 908 E HN 0.517 nan 8.360 nan 0.000 0.465 909 D N 1.022 121.343 120.400 -0.132 0.000 2.525 909 D HA -0.049 4.591 4.640 -0.000 0.000 0.235 909 D C -0.222 175.929 176.300 -0.250 0.000 1.137 909 D CA 0.345 54.234 54.000 -0.183 0.000 0.868 909 D CB 0.944 41.663 40.800 -0.135 0.000 1.180 909 D HN -0.149 nan 8.370 nan 0.000 0.465 910 V N 3.994 123.707 119.914 -0.335 0.000 2.439 910 V HA 0.051 4.171 4.120 -0.000 0.000 0.271 910 V C 1.385 177.327 176.094 -0.252 0.000 1.040 910 V CA 0.025 62.097 62.300 -0.380 0.000 1.002 910 V CB 0.485 31.899 31.823 -0.682 0.000 1.000 910 V HN 0.502 nan 8.190 nan 0.000 0.477 911 I N 4.599 125.015 120.570 -0.256 0.000 2.731 911 I HA 0.213 4.382 4.170 -0.000 0.000 0.260 911 I C 0.528 176.540 176.117 -0.175 0.000 1.138 911 I CA 1.055 62.214 61.300 -0.236 0.000 1.461 911 I CB 0.275 38.053 38.000 -0.370 0.000 1.128 911 I HN 0.412 nan 8.210 nan 0.000 0.438 912 I N 0.656 121.136 120.570 -0.151 0.000 2.499 912 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 912 I C -0.127 175.992 176.117 0.005 0.000 1.048 912 I CA -0.547 60.689 61.300 -0.105 0.000 1.062 912 I CB 2.011 39.924 38.000 -0.145 0.000 1.238 912 I HN -0.068 nan 8.210 nan 0.000 0.426 913 G N 5.596 114.440 108.800 0.074 0.000 2.319 913 G HA2 0.461 4.421 3.960 -0.000 0.000 0.308 913 G HA3 0.461 4.421 3.960 -0.000 0.000 0.308 913 G C -0.903 174.137 174.900 0.233 0.000 1.117 913 G CA -0.348 44.859 45.100 0.179 0.000 0.903 913 G HN 0.530 nan 8.290 nan 0.000 0.436 914 K N 1.445 121.973 120.400 0.213 0.000 2.375 914 K HA 0.756 5.076 4.320 -0.000 0.000 0.249 914 K C -1.055 175.600 176.600 0.092 0.000 0.942 914 K CA -0.525 55.874 56.287 0.186 0.000 0.806 914 K CB 2.041 34.652 32.500 0.186 0.000 1.227 914 K HN 0.483 nan 8.250 nan 0.000 0.430 915 T N 0.885 115.461 114.554 0.037 0.000 2.942 915 T HA 0.282 4.632 4.350 -0.000 0.000 0.327 915 T C -0.735 173.954 174.700 -0.019 0.000 1.360 915 T CA -0.876 61.230 62.100 0.009 0.000 1.055 915 T CB 1.616 70.487 68.868 0.005 0.000 1.261 915 T HN 0.765 nan 8.240 nan 0.000 0.485 934 K N 2.151 122.544 120.400 -0.012 0.000 3.029 934 K HA 0.379 4.699 4.320 -0.000 0.000 0.169 934 K C -1.195 175.398 176.600 -0.012 0.000 1.090 934 K CA -0.228 56.050 56.287 -0.015 0.000 0.883 934 K CB 1.300 33.787 32.500 -0.022 0.000 1.080 934 K HN 0.313 nan 8.250 nan 0.000 0.613 935 R N 1.140 121.638 120.500 -0.004 0.000 2.340 935 R HA 0.108 4.448 4.340 -0.000 0.000 0.300 935 R C -0.226 176.082 176.300 0.013 0.000 1.069 935 R CA -0.526 55.577 56.100 0.004 0.000 0.984 935 R CB 0.648 30.953 30.300 0.008 0.000 1.003 935 R HN 0.300 nan 8.270 nan 0.000 0.459 936 D N 1.169 121.582 120.400 0.023 0.000 2.341 936 D HA 0.291 4.931 4.640 -0.000 0.000 0.245 936 D C -0.639 175.698 176.300 0.062 0.000 1.106 936 D CA -0.102 53.928 54.000 0.049 0.000 0.905 936 D CB 0.933 41.778 40.800 0.073 0.000 1.202 936 D HN 0.614 nan 8.370 nan 0.000 0.426 937 A N 2.205 125.072 122.820 0.077 0.000 3.474 937 A HA 0.412 4.732 4.320 -0.000 0.000 0.251 937 A C -0.602 177.039 177.584 0.095 0.000 1.062 937 A CA -0.540 51.541 52.037 0.074 0.000 0.945 937 A CB -0.125 18.907 19.000 0.053 0.000 1.296 937 A HN 0.456 nan 8.150 nan 0.000 0.592 938 S N -0.173 115.590 115.700 0.105 0.000 2.482 938 S HA 0.653 5.123 4.470 -0.000 0.000 0.303 938 S C -0.164 174.456 174.600 0.033 0.000 1.091 938 S CA -0.358 57.902 58.200 0.100 0.000 1.057 938 S CB 1.329 64.623 63.200 0.157 0.000 1.031 938 S HN 0.285 nan 8.310 nan 0.000 0.485 939 T N 6.357 120.912 114.554 0.002 0.000 2.738 939 T HA 0.384 4.734 4.350 -0.000 0.000 0.294 939 T C -2.192 172.409 174.700 -0.166 0.000 0.914 939 T CA -0.716 61.356 62.100 -0.048 0.000 1.052 939 T CB 0.342 69.205 68.868 -0.008 0.000 0.897 939 T HN 0.594 nan 8.240 nan 0.000 0.522 940 P HA 0.321 nan 4.420 nan 0.000 0.278 940 P C -0.171 176.950 177.300 -0.297 0.000 1.266 940 P CA -0.936 62.026 63.100 -0.230 0.000 0.807 940 P CB 0.822 32.425 31.700 -0.162 0.000 1.094 941 L N 1.205 122.244 121.223 -0.307 0.000 2.439 941 L HA 0.163 4.503 4.340 -0.000 0.000 0.269 941 L C 1.001 177.849 176.870 -0.036 0.000 1.179 941 L CA -0.022 54.647 54.840 -0.284 0.000 0.828 941 L CB -0.015 41.932 42.059 -0.186 0.000 1.106 941 L HN 0.253 nan 8.230 nan 0.000 0.467 942 R N 2.653 123.239 120.500 0.143 0.000 2.484 942 R HA -0.011 4.329 4.340 -0.000 0.000 0.293 942 R C 1.489 177.845 176.300 0.093 0.000 1.023 942 R CA 0.577 56.769 56.100 0.152 0.000 1.037 942 R CB 0.294 30.722 30.300 0.213 0.000 0.951 942 R HN 0.974 nan 8.270 nan 0.000 0.418 943 S N 1.882 117.621 115.700 0.065 0.000 2.393 943 S HA -0.278 4.191 4.470 -0.000 0.000 0.234 943 S C 1.783 176.416 174.600 0.054 0.000 1.064 943 S CA 2.347 60.578 58.200 0.051 0.000 1.088 943 S CB -0.581 62.646 63.200 0.046 0.000 0.939 943 S HN 0.815 nan 8.310 nan 0.000 0.448 944 T N -0.410 114.181 114.554 0.061 0.000 3.043 944 T HA 0.214 4.564 4.350 -0.000 0.000 0.263 944 T C 0.719 175.455 174.700 0.060 0.000 1.094 944 T CA 0.189 62.322 62.100 0.055 0.000 1.127 944 T CB -0.193 68.704 68.868 0.048 0.000 0.905 944 T HN 0.512 nan 8.240 nan 0.000 0.490 945 E N 2.351 122.604 120.200 0.088 0.000 2.622 945 E HA 0.431 4.781 4.350 -0.000 0.000 0.255 945 E C -0.106 176.550 176.600 0.092 0.000 1.313 945 E CA -0.640 55.830 56.400 0.117 0.000 1.011 945 E CB 0.332 30.151 29.700 0.198 0.000 1.173 945 E HN 0.555 nan 8.360 nan 0.000 0.601 946 N N -0.972 117.791 118.700 0.106 0.000 5.084 946 N HA 0.168 4.908 4.740 -0.000 0.000 0.168 946 N C -0.933 174.619 175.510 0.070 0.000 1.032 946 N CA 0.090 53.182 53.050 0.069 0.000 1.105 946 N CB 0.539 39.051 38.487 0.042 0.000 1.554 946 N HN 0.627 nan 8.380 nan 0.000 0.789 947 G N 0.761 109.590 108.800 0.048 0.000 2.619 947 G HA2 0.527 4.487 3.960 -0.000 0.000 0.146 947 G HA3 0.527 4.487 3.960 -0.000 0.000 0.146 947 G C -1.738 173.172 174.900 0.017 0.000 1.192 947 G CA -0.518 44.604 45.100 0.036 0.000 1.063 947 G HN 0.561 nan 8.290 nan 0.000 0.538 948 I N 0.848 121.423 120.570 0.007 0.000 2.533 948 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 948 I C -0.150 175.973 176.117 0.010 0.000 1.056 948 I CA -0.989 60.314 61.300 0.005 0.000 1.057 948 I CB 2.486 40.489 38.000 0.006 0.000 1.240 948 I HN 0.204 nan 8.210 nan 0.000 0.423 949 V N 5.233 125.154 119.914 0.010 0.000 2.458 949 V HA -0.093 4.027 4.120 -0.000 0.000 0.287 949 V C 0.708 176.823 176.094 0.035 0.000 1.009 949 V CA 0.640 62.952 62.300 0.020 0.000 1.091 949 V CB 0.676 32.500 31.823 0.001 0.000 0.960 949 V HN 0.853 nan 8.190 nan 0.000 0.476 950 D N 3.396 123.835 120.400 0.065 0.000 2.214 950 D HA 0.053 4.693 4.640 -0.000 0.000 0.217 950 D C 0.843 177.183 176.300 0.067 0.000 0.973 950 D CA 0.967 55.024 54.000 0.095 0.000 0.880 950 D CB 0.487 41.413 40.800 0.209 0.000 1.031 950 D HN 0.697 nan 8.370 nan 0.000 0.468 951 Q N -0.687 119.147 119.800 0.058 0.000 2.462 951 Q HA 0.567 4.907 4.340 -0.000 0.000 0.285 951 Q C -1.900 174.109 176.000 0.014 0.000 1.035 951 Q CA -0.935 54.883 55.803 0.026 0.000 0.799 951 Q CB 3.195 31.942 28.738 0.015 0.000 1.452 951 Q HN -0.069 nan 8.270 nan 0.000 0.404 952 V N 2.163 122.077 119.914 -0.001 0.000 2.789 952 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 952 V C -1.136 174.951 176.094 -0.012 0.000 1.073 952 V CA -0.796 61.494 62.300 -0.017 0.000 0.921 952 V CB 1.949 33.751 31.823 -0.036 0.000 1.009 952 V HN 0.693 nan 8.190 nan 0.000 0.426 953 L N 4.641 125.857 121.223 -0.012 0.000 2.436 953 L HA 0.844 5.184 4.340 -0.000 0.000 0.268 953 L C -1.438 175.447 176.870 0.024 0.000 0.974 953 L CA -0.430 54.419 54.840 0.016 0.000 0.826 953 L CB 2.206 44.289 42.059 0.041 0.000 1.291 953 L HN 0.433 nan 8.230 nan 0.000 0.406 954 V N 3.897 123.837 119.914 0.043 0.000 2.284 954 V HA 0.525 4.644 4.120 -0.000 0.000 0.274 954 V C 0.128 176.293 176.094 0.118 0.000 1.023 954 V CA -0.154 62.186 62.300 0.067 0.000 0.808 954 V CB 0.700 32.548 31.823 0.042 0.000 1.035 954 V HN 0.961 nan 8.190 nan 0.000 0.445 955 T N 1.887 116.559 114.554 0.196 0.000 2.768 955 T HA 0.574 4.924 4.350 -0.000 0.000 0.268 955 T C -0.134 174.676 174.700 0.184 0.000 0.969 955 T CA -0.598 61.609 62.100 0.179 0.000 1.008 955 T CB 1.865 70.840 68.868 0.179 0.000 1.371 955 T HN 0.472 nan 8.240 nan 0.000 0.587 956 T N 2.336 116.951 114.554 0.101 0.000 2.965 956 T HA 0.389 4.739 4.350 -0.000 0.000 0.306 956 T C -0.739 173.951 174.700 -0.018 0.000 0.991 956 T CA -0.641 61.500 62.100 0.068 0.000 1.001 956 T CB 0.556 69.454 68.868 0.051 0.000 0.984 956 T HN 0.520 nan 8.240 nan 0.000 0.446 957 N N 3.277 121.948 118.700 -0.049 0.000 2.415 957 N HA 0.174 4.913 4.740 -0.000 0.000 0.246 957 N C 1.303 176.791 175.510 -0.038 0.000 1.078 957 N CA 0.147 53.118 53.050 -0.131 0.000 0.942 957 N CB 0.353 38.709 38.487 -0.218 0.000 1.140 957 N HN 0.648 nan 8.380 nan 0.000 0.501 958 Q N 1.552 121.334 119.800 -0.030 0.000 2.443 958 Q HA -0.365 3.975 4.340 -0.000 0.000 0.365 958 Q C -0.263 175.742 176.000 0.008 0.000 1.971 958 Q CA 2.551 58.352 55.803 -0.003 0.000 0.829 958 Q CB -0.818 27.920 28.738 0.000 0.000 1.126 958 Q HN 0.757 nan 8.270 nan 0.000 0.867 959 D N 0.682 121.090 120.400 0.013 0.000 2.636 959 D HA 0.116 4.756 4.640 -0.000 0.000 0.256 959 D C 0.771 177.086 176.300 0.025 0.000 1.280 959 D CA 1.120 55.132 54.000 0.020 0.000 0.910 959 D CB -0.826 39.989 40.800 0.026 0.000 1.045 959 D HN 0.660 nan 8.370 nan 0.000 0.472 960 G N 1.017 109.832 108.800 0.024 0.000 2.379 960 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.297 960 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.297 960 G C 0.336 175.265 174.900 0.048 0.000 1.004 960 G CA 0.060 45.179 45.100 0.032 0.000 0.921 960 G HN 0.410 nan 8.290 nan 0.000 0.511 961 L N -0.708 120.555 121.223 0.067 0.000 2.350 961 L HA 0.374 4.713 4.340 -0.000 0.000 0.275 961 L C 0.979 177.950 176.870 0.168 0.000 1.099 961 L CA -0.637 54.266 54.840 0.104 0.000 0.808 961 L CB 1.111 43.249 42.059 0.132 0.000 1.149 961 L HN 0.007 nan 8.230 nan 0.000 0.442 962 K N 2.741 123.248 120.400 0.178 0.000 2.316 962 K HA 0.266 4.585 4.320 -0.000 0.000 0.289 962 K C -0.965 175.922 176.600 0.477 0.000 1.070 962 K CA -0.194 56.271 56.287 0.297 0.000 0.928 962 K CB 0.586 33.262 32.500 0.295 0.000 1.039 962 K HN 0.219 nan 8.250 nan 0.000 0.480 963 F N 3.030 123.113 119.950 0.223 0.000 2.422 963 F HA 0.355 4.881 4.527 -0.000 0.000 0.333 963 F C -0.446 175.427 175.800 0.122 0.000 1.095 963 F CA -0.721 57.389 58.000 0.183 0.000 1.038 963 F CB 1.274 40.341 39.000 0.112 0.000 1.156 963 F HN 0.073 nan 8.300 nan 0.000 0.483 964 V N 5.573 125.341 119.914 -0.242 0.000 2.612 964 V HA 0.352 4.472 4.120 -0.000 0.000 0.301 964 V C -0.921 174.990 176.094 -0.304 0.000 1.059 964 V CA -1.105 61.034 62.300 -0.268 0.000 0.886 964 V CB 1.964 33.486 31.823 -0.503 0.000 1.007 964 V HN 0.586 nan 8.190 nan 0.000 0.426 965 K N 3.745 124.055 120.400 -0.150 0.000 2.394 965 K HA 0.687 5.006 4.320 -0.000 0.000 0.260 965 K C -1.215 175.360 176.600 -0.042 0.000 0.967 965 K CA -0.611 55.623 56.287 -0.089 0.000 0.855 965 K CB 2.420 34.914 32.500 -0.008 0.000 1.101 965 K HN 0.443 nan 8.250 nan 0.000 0.433 966 V N 3.949 123.858 119.914 -0.008 0.000 2.347 966 V HA 0.340 4.460 4.120 -0.000 0.000 0.280 966 V C 0.125 176.278 176.094 0.099 0.000 1.021 966 V CA -0.824 61.493 62.300 0.028 0.000 0.847 966 V CB 1.259 33.085 31.823 0.005 0.000 0.990 966 V HN 0.634 nan 8.190 nan 0.000 0.444 967 R N 3.299 123.841 120.500 0.070 0.000 2.349 967 R HA 0.742 5.081 4.340 -0.000 0.000 0.299 967 R C -1.319 175.046 176.300 0.107 0.000 1.027 967 R CA -0.345 55.807 56.100 0.087 0.000 0.958 967 R CB 1.638 31.990 30.300 0.087 0.000 1.047 967 R HN 0.561 nan 8.270 nan 0.000 0.468 968 V N 4.548 124.520 119.914 0.097 0.000 2.588 968 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 968 V C -0.254 175.812 176.094 -0.046 0.000 1.042 968 V CA -0.868 61.470 62.300 0.063 0.000 0.877 968 V CB 1.717 33.623 31.823 0.140 0.000 0.996 968 V HN 0.706 nan 8.190 nan 0.000 0.425 969 R N 2.068 122.521 120.500 -0.078 0.000 2.637 969 R HA 0.813 5.153 4.340 -0.000 0.000 0.291 969 R C -1.089 175.125 176.300 -0.143 0.000 0.963 969 R CA -0.161 55.780 56.100 -0.265 0.000 0.901 969 R CB 2.241 32.371 30.300 -0.283 0.000 1.160 969 R HN 0.859 nan 8.270 nan 0.000 0.457 970 T N 0.883 115.355 114.554 -0.137 0.000 2.864 970 T HA 0.352 4.702 4.350 -0.000 0.000 0.299 970 T C -1.059 173.647 174.700 0.009 0.000 1.166 970 T CA -0.482 61.622 62.100 0.006 0.000 1.007 970 T CB 1.973 70.919 68.868 0.130 0.000 1.219 970 T HN 0.429 nan 8.240 nan 0.000 0.506 971 T N 2.434 117.018 114.554 0.050 0.000 2.786 971 T HA 0.439 4.788 4.350 -0.000 0.000 0.283 971 T C -0.465 174.255 174.700 0.035 0.000 0.992 971 T CA -0.640 61.509 62.100 0.082 0.000 0.954 971 T CB 0.704 69.646 68.868 0.123 0.000 0.934 971 T HN 0.300 nan 8.240 nan 0.000 0.440 972 K N 3.404 123.821 120.400 0.028 0.000 2.234 972 K HA 0.540 4.860 4.320 -0.000 0.000 0.277 972 K C -0.518 176.061 176.600 -0.036 0.000 1.038 972 K CA -0.446 55.831 56.287 -0.016 0.000 0.888 972 K CB 1.175 33.646 32.500 -0.049 0.000 1.091 972 K HN 0.520 nan 8.250 nan 0.000 0.467 973 I N 5.367 125.915 120.570 -0.036 0.000 2.377 973 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 973 I C -1.947 174.180 176.117 0.018 0.000 0.987 973 I CA -2.685 58.598 61.300 -0.028 0.000 1.185 973 I CB 1.611 39.589 38.000 -0.038 0.000 1.341 973 I HN 0.391 nan 8.210 nan 0.000 0.455 974 P HA -0.035 nan 4.420 nan 0.000 0.258 974 P C -0.912 176.439 177.300 0.086 0.000 1.187 974 P CA 0.376 63.571 63.100 0.158 0.000 0.767 974 P CB 0.674 32.538 31.700 0.273 0.000 0.770 975 Q N 2.463 122.300 119.800 0.061 0.000 2.576 975 Q HA 0.362 4.701 4.340 -0.000 0.000 0.249 975 Q C 1.353 177.375 176.000 0.036 0.000 1.041 975 Q CA -0.971 54.847 55.803 0.025 0.000 0.928 975 Q CB 1.308 30.045 28.738 -0.001 0.000 1.302 975 Q HN 0.231 nan 8.270 nan 0.000 0.504 976 I N -0.001 120.574 120.570 0.008 0.000 2.493 976 I HA -0.103 4.067 4.170 -0.000 0.000 0.254 976 I C 1.519 177.649 176.117 0.022 0.000 1.160 976 I CA 1.302 62.606 61.300 0.007 0.000 1.445 976 I CB -0.043 37.947 38.000 -0.017 0.000 1.086 976 I HN 0.771 nan 8.210 nan 0.000 0.433 977 G N -0.252 108.552 108.800 0.006 0.000 3.141 977 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.218 977 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.218 977 G C -0.063 174.820 174.900 -0.028 0.000 1.170 977 G CA -0.224 44.873 45.100 -0.005 0.000 0.769 977 G HN 0.182 nan 8.290 nan 0.000 0.546 978 D N 1.050 121.434 120.400 -0.026 0.000 2.383 978 D HA 0.173 4.812 4.640 -0.000 0.000 0.252 978 D C 0.307 176.443 176.300 -0.273 0.000 1.166 978 D CA 0.241 54.140 54.000 -0.167 0.000 0.879 978 D CB 1.415 42.092 40.800 -0.204 0.000 1.164 978 D HN 0.057 nan 8.370 nan 0.000 0.462 979 K N 2.292 122.473 120.400 -0.365 0.000 2.322 979 K HA 0.293 4.613 4.320 -0.000 0.000 0.283 979 K C -0.910 175.342 176.600 -0.580 0.000 1.042 979 K CA -0.119 56.001 56.287 -0.278 0.000 0.958 979 K CB 0.374 32.767 32.500 -0.178 0.000 0.984 979 K HN 0.233 nan 8.250 nan 0.000 0.473 980 F N 1.055 120.955 119.950 -0.083 0.000 2.620 980 F HA 0.665 5.192 4.527 -0.000 0.000 0.320 980 F C -0.207 175.598 175.800 0.009 0.000 1.069 980 F CA -0.881 57.067 58.000 -0.087 0.000 0.953 980 F CB 2.231 41.148 39.000 -0.138 0.000 1.322 980 F HN 0.495 nan 8.300 nan 0.000 0.479 981 A N 0.526 123.467 122.820 0.202 0.000 2.547 981 A HA 0.671 4.991 4.320 -0.000 0.000 0.297 981 A C -0.553 176.783 177.584 -0.414 0.000 1.056 981 A CA -0.503 51.520 52.037 -0.024 0.000 0.688 981 A CB 1.128 20.110 19.000 -0.029 0.000 1.282 981 A HN 0.851 nan 8.150 nan 0.000 0.400 982 S N 1.099 116.359 115.700 -0.733 0.000 2.602 982 S HA 0.377 4.847 4.470 -0.000 0.000 0.257 982 S C 0.519 174.947 174.600 -0.287 0.000 1.250 982 S CA -0.143 57.590 58.200 -0.779 0.000 0.986 982 S CB 0.230 63.124 63.200 -0.511 0.000 1.040 982 S HN 0.648 nan 8.310 nan 0.000 0.562 983 R N -0.139 120.208 120.500 -0.256 0.000 2.515 983 R HA 0.264 4.604 4.340 -0.000 0.000 0.294 983 R C 0.030 176.024 176.300 -0.510 0.000 1.021 983 R CA -0.004 55.898 56.100 -0.331 0.000 1.081 983 R CB -0.111 29.989 30.300 -0.334 0.000 1.263 983 R HN 0.606 nan 8.270 nan 0.000 0.557 984 H N -0.716 118.350 119.070 -0.007 0.000 2.505 984 H HA 0.225 4.780 4.556 -0.000 0.000 0.260 984 H C 0.833 176.212 175.328 0.084 0.000 1.168 984 H CA 0.174 56.255 56.048 0.054 0.000 0.945 984 H CB 1.129 30.957 29.762 0.110 0.000 1.800 984 H HN 0.420 nan 8.280 nan 0.000 0.586 985 G N 1.853 110.733 108.800 0.132 0.000 2.166 985 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 985 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 985 G C 0.390 175.400 174.900 0.183 0.000 0.986 985 G CA 0.341 45.561 45.100 0.200 0.000 0.683 985 G HN 0.398 nan 8.290 nan 0.000 0.527 986 Q N 0.977 120.860 119.800 0.138 0.000 2.509 986 Q HA 0.449 4.789 4.340 -0.000 0.000 0.236 986 Q C 0.584 176.633 176.000 0.082 0.000 1.073 986 Q CA -0.704 55.172 55.803 0.121 0.000 0.867 986 Q CB 0.391 29.224 28.738 0.159 0.000 1.181 986 Q HN 0.560 nan 8.270 nan 0.000 0.526 987 K N 1.006 121.439 120.400 0.055 0.000 2.118 987 K HA 0.819 5.139 4.320 -0.000 0.000 0.264 987 K C -0.255 176.391 176.600 0.076 0.000 1.000 987 K CA -0.672 55.644 56.287 0.048 0.000 0.929 987 K CB 1.334 33.832 32.500 -0.004 0.000 1.021 987 K HN 0.500 nan 8.250 nan 0.000 0.463 988 G N 0.801 109.666 108.800 0.109 0.000 2.768 988 G HA2 0.279 4.239 3.960 -0.000 0.000 0.297 988 G HA3 0.279 4.239 3.960 -0.000 0.000 0.297 988 G C -0.893 174.088 174.900 0.134 0.000 1.430 988 G CA -0.680 44.488 45.100 0.113 0.000 1.030 988 G HN 0.760 nan 8.290 nan 0.000 0.553 989 T N 0.332 114.938 114.554 0.086 0.000 2.913 989 T HA 0.551 4.901 4.350 -0.000 0.000 0.297 989 T C 1.032 175.805 174.700 0.121 0.000 1.029 989 T CA -0.490 61.665 62.100 0.092 0.000 1.104 989 T CB 0.507 69.396 68.868 0.035 0.000 0.964 989 T HN 0.489 nan 8.240 nan 0.000 0.532 990 I N 2.432 123.099 120.570 0.160 0.000 3.003 990 I HA 0.202 4.372 4.170 -0.000 0.000 0.294 990 I C 1.618 177.763 176.117 0.047 0.000 1.237 990 I CA 0.481 61.829 61.300 0.080 0.000 1.417 990 I CB 0.134 38.180 38.000 0.076 0.000 1.340 990 I HN 0.982 nan 8.210 nan 0.000 0.594 991 G N 5.290 114.105 108.800 0.025 0.000 2.692 991 G HA2 0.405 4.364 3.960 -0.000 0.000 0.201 991 G HA3 0.405 4.364 3.960 -0.000 0.000 0.201 991 G C 0.048 174.948 174.900 0.000 0.000 1.063 991 G CA 0.210 45.346 45.100 0.060 0.000 0.790 991 G HN 0.545 nan 8.290 nan 0.000 0.599 992 I N 0.462 120.960 120.570 -0.120 0.000 2.836 992 I HA 0.394 4.564 4.170 -0.000 0.000 0.298 992 I C -1.357 174.565 176.117 -0.325 0.000 1.600 992 I CA -0.752 60.366 61.300 -0.303 0.000 0.972 992 I CB 2.095 39.712 38.000 -0.639 0.000 1.385 992 I HN 0.094 nan 8.210 nan 0.000 0.520 993 T N 1.365 115.728 114.554 -0.319 0.000 2.855 993 T HA 0.631 4.980 4.350 -0.000 0.000 0.281 993 T C -1.105 173.470 174.700 -0.207 0.000 1.007 993 T CA -0.480 61.496 62.100 -0.207 0.000 1.009 993 T CB 1.287 70.104 68.868 -0.085 0.000 0.983 993 T HN 0.459 nan 8.240 nan 0.000 0.455 994 Y N 0.179 120.479 120.300 -0.000 0.000 2.462 994 Y HA 0.522 5.072 4.550 -0.000 0.000 0.346 994 Y C 0.967 176.883 175.900 0.025 0.000 0.976 994 Y CA -1.612 56.505 58.100 0.029 0.000 1.044 994 Y CB 2.334 40.847 38.460 0.088 0.000 1.230 994 Y HN 0.497 nan 8.280 nan 0.000 0.455 995 R N 0.853 121.483 120.500 0.216 0.000 2.652 995 R HA 0.224 4.564 4.340 -0.000 0.000 0.271 995 R C 1.291 177.645 176.300 0.090 0.000 1.129 995 R CA -0.442 55.722 56.100 0.107 0.000 1.200 995 R CB 0.551 30.891 30.300 0.067 0.000 1.146 995 R HN 0.725 nan 8.270 nan 0.000 0.581 996 R N 1.018 121.546 120.500 0.046 0.000 2.103 996 R HA -0.230 4.109 4.340 -0.000 0.000 0.242 996 R C 1.494 177.807 176.300 0.021 0.000 1.142 996 R CA 2.205 58.322 56.100 0.027 0.000 0.960 996 R CB -0.004 30.294 30.300 -0.004 0.000 0.858 996 R HN 0.597 nan 8.270 nan 0.000 0.439 997 E N 0.511 120.716 120.200 0.008 0.000 2.012 997 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 997 E C 1.617 178.270 176.600 0.089 0.000 1.007 997 E CA 1.643 58.046 56.400 0.005 0.000 0.816 997 E CB -0.348 29.348 29.700 -0.006 0.000 0.762 997 E HN 0.330 nan 8.360 nan 0.000 0.451 998 D N 0.024 120.483 120.400 0.098 0.000 2.357 998 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 998 D C 0.423 176.804 176.300 0.134 0.000 0.973 998 D CA 0.728 54.810 54.000 0.138 0.000 0.912 998 D CB -0.144 40.607 40.800 -0.081 0.000 0.900 998 D HN 0.147 nan 8.370 nan 0.000 0.501 999 M N 1.405 121.080 119.600 0.125 0.000 2.249 999 M HA 0.209 4.689 4.480 -0.000 0.000 0.351 999 M C -2.340 173.997 176.300 0.062 0.000 1.180 999 M CA -2.038 53.298 55.300 0.060 0.000 1.127 999 M CB 1.472 34.113 32.600 0.069 0.000 1.546 999 M HN -0.290 nan 8.290 nan 0.000 0.461 1000 P HA 0.137 nan 4.420 nan 0.000 0.269 1000 P C -1.435 175.896 177.300 0.051 0.000 1.209 1000 P CA 0.139 63.177 63.100 -0.103 0.000 0.776 1000 P CB -0.012 31.417 31.700 -0.452 0.000 0.876 1001 F N -1.622 118.299 119.950 -0.048 0.000 2.593 1001 F HA 0.689 5.216 4.527 -0.000 0.000 0.320 1001 F C 0.005 175.773 175.800 -0.054 0.000 1.060 1001 F CA -1.206 56.754 58.000 -0.068 0.000 0.940 1001 F CB 1.089 40.069 39.000 -0.032 0.000 1.268 1001 F HN 0.149 nan 8.300 nan 0.000 0.475 1002 T N 0.759 115.289 114.554 -0.040 0.000 2.899 1002 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 1002 T C 1.261 176.057 174.700 0.160 0.000 1.004 1002 T CA 0.185 62.239 62.100 -0.077 0.000 1.043 1002 T CB 1.344 70.069 68.868 -0.238 0.000 1.013 1002 T HN 0.940 nan 8.240 nan 0.000 0.518 1003 A N 2.347 125.287 122.820 0.201 0.000 1.940 1003 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 1003 A C 1.962 179.614 177.584 0.112 0.000 1.190 1003 A CA 2.077 54.228 52.037 0.189 0.000 0.647 1003 A CB -0.702 18.413 19.000 0.191 0.000 0.821 1003 A HN 0.953 nan 8.150 nan 0.000 0.457 1004 E N -1.970 118.294 120.200 0.108 0.000 2.418 1004 E HA 0.151 4.501 4.350 -0.000 0.000 0.197 1004 E C 1.279 177.928 176.600 0.080 0.000 1.026 1004 E CA 0.420 56.875 56.400 0.091 0.000 0.862 1004 E CB -0.209 29.566 29.700 0.124 0.000 0.799 1004 E HN 0.876 nan 8.360 nan 0.000 0.518 1005 G N 1.512 110.375 108.800 0.105 0.000 2.175 1005 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 1005 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 1005 G C 0.269 175.217 174.900 0.080 0.000 0.982 1005 G CA -0.122 45.022 45.100 0.073 0.000 0.641 1005 G HN 0.194 nan 8.290 nan 0.000 0.527 1006 I N 1.065 121.700 120.570 0.108 0.000 2.452 1006 I HA 0.440 4.610 4.170 -0.000 0.000 0.287 1006 I C 0.672 176.891 176.117 0.169 0.000 1.079 1006 I CA -0.382 61.008 61.300 0.150 0.000 1.387 1006 I CB 1.338 39.478 38.000 0.233 0.000 1.404 1006 I HN -0.032 nan 8.210 nan 0.000 0.522 1007 V N 8.728 128.757 119.914 0.192 0.000 2.769 1007 V HA 0.571 4.690 4.120 -0.000 0.000 0.312 1007 V C -2.166 174.096 176.094 0.280 0.000 1.058 1007 V CA -1.980 60.443 62.300 0.205 0.000 0.952 1007 V CB 2.499 34.389 31.823 0.113 0.000 1.019 1007 V HN 0.579 nan 8.190 nan 0.000 0.445 1008 P HA 0.331 nan 4.420 nan 0.000 0.285 1008 P C -0.411 176.888 177.300 -0.002 0.000 1.259 1008 P CA -0.232 62.944 63.100 0.126 0.000 0.794 1008 P CB 1.037 32.846 31.700 0.181 0.000 0.940 1009 D N 1.257 121.609 120.400 -0.079 0.000 2.219 1009 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 1009 D C 0.489 176.714 176.300 -0.125 0.000 0.970 1009 D CA 1.506 55.449 54.000 -0.094 0.000 0.851 1009 D CB 0.111 40.836 40.800 -0.124 0.000 0.943 1009 D HN 0.195 nan 8.370 nan 0.000 0.488 1010 L N 0.161 121.287 121.223 -0.161 0.000 2.513 1010 L HA 0.386 4.726 4.340 -0.000 0.000 0.261 1010 L C -1.791 174.985 176.870 -0.157 0.000 0.945 1010 L CA -0.531 54.178 54.840 -0.218 0.000 0.848 1010 L CB 2.228 44.052 42.059 -0.392 0.000 1.334 1010 L HN -0.215 nan 8.230 nan 0.000 0.407 1011 I N 6.138 126.645 120.570 -0.105 0.000 2.468 1011 I HA 0.465 4.635 4.170 -0.000 0.000 0.284 1011 I C -0.445 175.671 176.117 -0.001 0.000 1.038 1011 I CA -0.634 60.645 61.300 -0.035 0.000 1.083 1011 I CB 1.638 39.640 38.000 0.003 0.000 1.223 1011 I HN 0.582 nan 8.210 nan 0.000 0.443 1012 I N 2.465 123.046 120.570 0.018 0.000 2.525 1012 I HA 0.526 4.696 4.170 -0.000 0.000 0.301 1012 I C 0.065 176.213 176.117 0.053 0.000 0.992 1012 I CA -0.504 60.827 61.300 0.052 0.000 1.162 1012 I CB 1.524 39.575 38.000 0.085 0.000 1.332 1012 I HN 0.441 nan 8.210 nan 0.000 0.458 1013 N N 6.171 124.909 118.700 0.064 0.000 2.483 1013 N HA 0.164 4.904 4.740 -0.000 0.000 0.264 1013 N C -1.629 173.882 175.510 0.001 0.000 1.197 1013 N CA -1.458 51.627 53.050 0.057 0.000 0.927 1013 N CB 1.188 39.741 38.487 0.110 0.000 1.065 1013 N HN 0.506 nan 8.380 nan 0.000 0.461 1014 P HA -0.121 nan 4.420 nan 0.000 0.222 1014 P C 0.758 177.974 177.300 -0.139 0.000 1.147 1014 P CA 1.184 64.203 63.100 -0.135 0.000 0.790 1014 P CB 0.099 31.688 31.700 -0.184 0.000 0.780 1015 H N 0.270 119.339 119.070 -0.001 0.000 2.489 1015 H HA 0.081 4.637 4.556 -0.000 0.000 0.293 1015 H C 1.197 176.519 175.328 -0.010 0.000 1.066 1015 H CA 1.091 57.137 56.048 -0.004 0.000 1.305 1015 H CB -0.359 29.406 29.762 0.004 0.000 1.386 1015 H HN 0.104 nan 8.280 nan 0.000 0.551 1016 A N 0.239 123.111 122.820 0.087 0.000 3.019 1016 A HA 0.321 4.641 4.320 -0.000 0.000 0.262 1016 A C 1.335 178.915 177.584 -0.006 0.000 1.509 1016 A CA -0.017 52.048 52.037 0.047 0.000 1.159 1016 A CB -0.650 18.380 19.000 0.050 0.000 1.042 1016 A HN 0.290 nan 8.150 nan 0.000 0.641 1017 I N -1.848 118.712 120.570 -0.016 0.000 3.859 1017 I HA 0.110 4.280 4.170 -0.000 0.000 0.266 1017 I C -1.123 174.973 176.117 -0.036 0.000 1.132 1017 I CA -0.399 60.864 61.300 -0.061 0.000 1.361 1017 I CB -0.149 37.775 38.000 -0.127 0.000 1.690 1017 I HN 0.086 nan 8.210 nan 0.000 0.424 1018 P HA -0.210 nan 4.420 nan 0.000 0.215 1018 P C 1.641 178.944 177.300 0.005 0.000 1.163 1018 P CA 2.337 65.434 63.100 -0.005 0.000 0.894 1018 P CB -0.100 31.610 31.700 0.017 0.000 0.791 1019 S N -1.557 114.154 115.700 0.019 0.000 2.461 1019 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 1019 S C 1.839 176.454 174.600 0.024 0.000 1.005 1019 S CA 0.306 58.519 58.200 0.021 0.000 0.942 1019 S CB -0.604 62.612 63.200 0.026 0.000 0.776 1019 S HN -0.000 nan 8.310 nan 0.000 0.514 1020 R N 1.046 121.562 120.500 0.025 0.000 2.153 1020 R HA 0.230 4.570 4.340 -0.000 0.000 0.218 1020 R C 0.930 177.243 176.300 0.022 0.000 1.072 1020 R CA 0.713 56.836 56.100 0.037 0.000 0.990 1020 R CB -0.816 29.512 30.300 0.045 0.000 0.889 1020 R HN 0.470 nan 8.270 nan 0.000 0.452 1021 M N -0.026 119.577 119.600 0.005 0.000 2.762 1021 M HA -0.171 4.309 4.480 -0.000 0.000 0.190 1021 M C 0.199 176.501 176.300 0.002 0.000 0.586 1021 M CA 1.166 56.465 55.300 -0.001 0.000 0.620 1021 M CB -2.589 30.013 32.600 0.003 0.000 2.269 1021 M HN 0.075 nan 8.290 nan 0.000 0.563 1022 T N 0.995 115.550 114.554 0.002 0.000 3.455 1022 T HA 0.422 4.772 4.350 -0.000 0.000 0.286 1022 T C 1.138 175.808 174.700 -0.050 0.000 1.157 1022 T CA -0.109 61.998 62.100 0.012 0.000 1.090 1022 T CB 0.010 68.917 68.868 0.064 0.000 1.112 1022 T HN 0.242 nan 8.240 nan 0.000 0.779 1023 V N 4.240 124.129 119.914 -0.042 0.000 2.446 1023 V HA 0.036 4.156 4.120 -0.000 0.000 0.244 1023 V C 2.929 178.943 176.094 -0.134 0.000 1.039 1023 V CA 1.476 63.728 62.300 -0.080 0.000 1.045 1023 V CB -1.130 30.668 31.823 -0.043 0.000 0.681 1023 V HN 0.861 nan 8.190 nan 0.000 0.459 1024 A N -0.108 122.648 122.820 -0.108 0.000 2.009 1024 A HA -0.368 3.952 4.320 -0.000 0.000 0.222 1024 A C 2.199 179.583 177.584 -0.333 0.000 1.175 1024 A CA 2.439 54.385 52.037 -0.152 0.000 0.651 1024 A CB -0.932 18.157 19.000 0.147 0.000 0.815 1024 A HN 0.712 nan 8.150 nan 0.000 0.459 1025 H N 0.177 118.813 119.070 -0.725 0.000 2.353 1025 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 1025 H C 1.840 177.071 175.328 -0.161 0.000 1.090 1025 H CA 2.049 57.723 56.048 -0.624 0.000 1.327 1025 H CB -0.365 29.165 29.762 -0.386 0.000 1.383 1025 H HN 0.461 nan 8.280 nan 0.000 0.508 1026 L N -0.048 121.219 121.223 0.074 0.000 2.027 1026 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 1026 L C 2.949 179.890 176.870 0.117 0.000 1.074 1026 L CA 1.196 56.067 54.840 0.051 0.000 0.745 1026 L CB -0.428 41.482 42.059 -0.248 0.000 0.898 1026 L HN 0.186 nan 8.230 nan 0.000 0.433 1027 I N -0.270 120.248 120.570 -0.086 0.000 2.127 1027 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 1027 I C 2.682 178.771 176.117 -0.047 0.000 1.075 1027 I CA 1.519 62.696 61.300 -0.205 0.000 1.334 1027 I CB -0.474 37.136 38.000 -0.650 0.000 1.040 1027 I HN 0.366 nan 8.210 nan 0.000 0.405 1028 E N 0.473 120.716 120.200 0.071 0.000 2.114 1028 E HA -0.338 4.012 4.350 -0.000 0.000 0.199 1028 E C 2.364 179.033 176.600 0.114 0.000 1.008 1028 E CA 2.086 58.608 56.400 0.204 0.000 0.810 1028 E CB -0.157 29.677 29.700 0.223 0.000 0.739 1028 E HN 0.592 nan 8.360 nan 0.000 0.456 1029 C N 0.122 119.489 119.300 0.113 0.000 2.440 1029 C HA -0.095 4.365 4.460 -0.000 0.000 0.278 1029 C C 2.704 177.655 174.990 -0.064 0.000 1.295 1029 C CA 0.782 59.817 59.018 0.027 0.000 1.738 1029 C CB -1.127 26.670 27.740 0.094 0.000 1.987 1029 C HN 0.577 nan 8.230 nan 0.000 0.492 1030 L N 0.473 121.715 121.223 0.032 0.000 2.046 1030 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 1030 L C 2.159 179.019 176.870 -0.017 0.000 1.077 1030 L CA 1.839 56.677 54.840 -0.003 0.000 0.747 1030 L CB -0.819 41.287 42.059 0.078 0.000 0.896 1030 L HN 0.364 nan 8.230 nan 0.000 0.432 1031 L N -1.275 119.964 121.223 0.028 0.000 2.023 1031 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 1031 L C 2.455 179.328 176.870 0.004 0.000 1.073 1031 L CA 1.999 56.871 54.840 0.053 0.000 0.745 1031 L CB -0.863 41.304 42.059 0.180 0.000 0.900 1031 L HN 0.245 nan 8.230 nan 0.000 0.435 1032 S N -0.460 115.240 115.700 0.000 0.000 2.419 1032 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 1032 S C 1.927 176.473 174.600 -0.090 0.000 1.019 1032 S CA 1.398 59.577 58.200 -0.035 0.000 0.982 1032 S CB -0.328 62.863 63.200 -0.015 0.000 0.789 1032 S HN 0.413 nan 8.310 nan 0.000 0.490 1033 K N 1.125 121.449 120.400 -0.128 0.000 1.984 1033 K HA -0.057 4.263 4.320 -0.000 0.000 0.209 1033 K C 2.013 178.495 176.600 -0.198 0.000 1.046 1033 K CA 1.269 57.438 56.287 -0.198 0.000 0.934 1033 K CB -0.360 31.987 32.500 -0.254 0.000 0.717 1033 K HN 0.137 nan 8.250 nan 0.000 0.438 1034 V N 1.613 121.433 119.914 -0.158 0.000 2.278 1034 V HA -0.346 3.774 4.120 -0.000 0.000 0.251 1034 V C 2.441 178.425 176.094 -0.183 0.000 1.062 1034 V CA 2.201 64.395 62.300 -0.176 0.000 1.038 1034 V CB -0.869 30.914 31.823 -0.067 0.000 0.646 1034 V HN 0.537 nan 8.190 nan 0.000 0.447 1035 A N -0.132 122.624 122.820 -0.107 0.000 1.873 1035 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 1035 A C 2.401 179.930 177.584 -0.091 0.000 1.193 1035 A CA 2.527 54.516 52.037 -0.079 0.000 0.629 1035 A CB -0.958 18.009 19.000 -0.055 0.000 0.826 1035 A HN 0.660 nan 8.150 nan 0.000 0.447 1036 A N -1.001 121.757 122.820 -0.104 0.000 2.015 1036 A HA 0.091 4.410 4.320 -0.000 0.000 0.219 1036 A C 2.137 179.667 177.584 -0.090 0.000 1.163 1036 A CA 1.388 53.373 52.037 -0.087 0.000 0.646 1036 A CB -0.458 18.486 19.000 -0.093 0.000 0.806 1036 A HN 0.472 nan 8.150 nan 0.000 0.448 1037 L N -0.160 120.969 121.223 -0.157 0.000 2.095 1037 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 1037 L C 2.674 179.483 176.870 -0.101 0.000 1.080 1037 L CA 1.489 56.230 54.840 -0.166 0.000 0.759 1037 L CB -0.164 41.672 42.059 -0.372 0.000 0.914 1037 L HN 0.479 nan 8.230 nan 0.000 0.439 1038 S N -1.048 114.561 115.700 -0.151 0.000 2.524 1038 S HA 0.184 4.653 4.470 -0.000 0.000 0.216 1038 S C 1.496 176.125 174.600 0.050 0.000 0.987 1038 S CA 0.300 58.535 58.200 0.059 0.000 0.909 1038 S CB 0.419 63.679 63.200 0.100 0.000 0.781 1038 S HN 0.472 nan 8.310 nan 0.000 0.521 1039 G N 1.827 110.629 108.800 0.003 0.000 2.176 1039 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.252 1039 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.252 1039 G C -0.220 174.682 174.900 0.003 0.000 1.024 1039 G CA -0.021 45.082 45.100 0.005 0.000 0.755 1039 G HN 0.483 nan 8.290 nan 0.000 0.507 1040 N N -0.076 118.622 118.700 -0.004 0.000 2.477 1040 N HA 0.430 5.170 4.740 -0.000 0.000 0.284 1040 N C -0.250 175.246 175.510 -0.024 0.000 1.182 1040 N CA -0.530 52.517 53.050 -0.005 0.000 0.949 1040 N CB 1.251 39.744 38.487 0.009 0.000 1.204 1040 N HN 0.431 nan 8.380 nan 0.000 0.526 1041 E N -0.257 119.924 120.200 -0.031 0.000 2.167 1041 E HA 0.323 4.673 4.350 -0.000 0.000 0.284 1041 E C -0.124 176.443 176.600 -0.056 0.000 1.016 1041 E CA -0.709 55.660 56.400 -0.052 0.000 0.817 1041 E CB 0.469 30.130 29.700 -0.065 0.000 1.080 1041 E HN 0.611 nan 8.360 nan 0.000 0.397 1042 G N 4.069 112.832 108.800 -0.061 0.000 2.367 1042 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.280 1042 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.280 1042 G C -0.277 174.564 174.900 -0.099 0.000 1.175 1042 G CA -0.366 44.704 45.100 -0.050 0.000 1.001 1042 G HN 0.568 nan 8.290 nan 0.000 0.437 1043 D N 2.115 122.461 120.400 -0.089 0.000 2.374 1043 D HA 0.377 5.016 4.640 -0.000 0.000 0.240 1043 D C 1.011 177.159 176.300 -0.254 0.000 1.229 1043 D CA -0.098 53.809 54.000 -0.155 0.000 0.895 1043 D CB 0.809 41.549 40.800 -0.100 0.000 1.046 1043 D HN 0.309 nan 8.370 nan 0.000 0.498 1044 A N 2.966 125.506 122.820 -0.468 0.000 2.460 1044 A HA 0.193 4.513 4.320 -0.000 0.000 0.258 1044 A C 0.970 177.985 177.584 -0.949 0.000 1.300 1044 A CA -0.413 50.950 52.037 -1.124 0.000 0.913 1044 A CB -0.018 18.418 19.000 -0.940 0.000 1.031 1044 A HN 0.426 nan 8.150 nan 0.000 0.512 1045 S N 2.165 117.584 115.700 -0.469 0.000 2.561 1045 S HA 0.114 4.584 4.470 -0.000 0.000 0.294 1045 S C -1.300 173.206 174.600 -0.157 0.000 1.294 1045 S CA -0.527 57.524 58.200 -0.248 0.000 1.055 1045 S CB 0.602 63.728 63.200 -0.125 0.000 0.819 1045 S HN 0.320 nan 8.310 nan 0.000 0.503 1046 P HA -0.127 nan 4.420 nan 0.000 0.215 1046 P C -0.038 177.171 177.300 -0.152 0.000 0.941 1046 P CA 1.092 64.044 63.100 -0.248 0.000 0.989 1046 P CB -0.016 31.461 31.700 -0.372 0.000 0.613 1047 F N -0.004 120.095 119.950 0.248 0.000 2.494 1047 F HA 0.292 4.819 4.527 -0.000 0.000 0.351 1047 F C 1.195 177.152 175.800 0.261 0.000 1.205 1047 F CA -0.020 58.112 58.000 0.221 0.000 1.125 1047 F CB -1.115 37.982 39.000 0.162 0.000 1.268 1047 F HN 0.011 nan 8.300 nan 0.000 0.593 1048 T N -2.232 112.527 114.554 0.343 0.000 2.804 1048 T HA 0.310 4.660 4.350 -0.000 0.000 0.290 1048 T C -0.099 174.747 174.700 0.243 0.000 1.099 1048 T CA -0.919 61.357 62.100 0.294 0.000 1.011 1048 T CB 1.849 70.869 68.868 0.253 0.000 1.291 1048 T HN 0.198 nan 8.240 nan 0.000 0.523 1049 D N 0.337 120.858 120.400 0.201 0.000 2.434 1049 D HA 0.330 4.970 4.640 -0.000 0.000 0.232 1049 D C -0.130 176.267 176.300 0.161 0.000 1.166 1049 D CA -0.115 53.984 54.000 0.165 0.000 0.830 1049 D CB -0.389 40.490 40.800 0.131 0.000 0.960 1049 D HN 0.455 nan 8.370 nan 0.000 0.497 1050 I N 0.712 121.403 120.570 0.201 0.000 2.416 1050 I HA 0.069 4.239 4.170 -0.000 0.000 0.288 1050 I C 0.531 176.742 176.117 0.156 0.000 1.051 1050 I CA 0.274 61.688 61.300 0.192 0.000 1.375 1050 I CB 1.240 39.400 38.000 0.267 0.000 1.407 1050 I HN -0.264 nan 8.210 nan 0.000 0.516 1051 T N 5.216 119.826 114.554 0.095 0.000 2.885 1051 T HA 0.218 4.568 4.350 -0.000 0.000 0.285 1051 T C 1.396 176.095 174.700 -0.002 0.000 1.019 1051 T CA -0.709 61.422 62.100 0.051 0.000 1.010 1051 T CB 2.179 71.083 68.868 0.061 0.000 1.022 1051 T HN 0.318 nan 8.240 nan 0.000 0.466 1052 V N 1.874 121.757 119.914 -0.052 0.000 2.250 1052 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 1052 V C 2.602 178.695 176.094 -0.002 0.000 1.065 1052 V CA 1.722 63.983 62.300 -0.065 0.000 1.039 1052 V CB -0.633 31.152 31.823 -0.063 0.000 0.647 1052 V HN 0.823 nan 8.190 nan 0.000 0.446 1053 E N 0.826 121.037 120.200 0.018 0.000 2.049 1053 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 1053 E C 2.434 179.060 176.600 0.044 0.000 1.007 1053 E CA 1.821 58.242 56.400 0.035 0.000 0.809 1053 E CB -0.951 28.771 29.700 0.037 0.000 0.749 1053 E HN 0.648 nan 8.360 nan 0.000 0.450 1054 G N 1.439 110.267 108.800 0.047 0.000 2.469 1054 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 1054 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 1054 G C 1.763 176.700 174.900 0.061 0.000 1.150 1054 G CA 1.196 46.330 45.100 0.057 0.000 0.763 1054 G HN 0.209 nan 8.290 nan 0.000 0.561 1055 I N 0.748 121.350 120.570 0.053 0.000 2.163 1055 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 1055 I C 3.037 179.192 176.117 0.064 0.000 1.081 1055 I CA 1.216 62.549 61.300 0.054 0.000 1.353 1055 I CB -0.531 37.489 38.000 0.033 0.000 1.054 1055 I HN 0.079 nan 8.210 nan 0.000 0.407 1056 S N 0.861 116.597 115.700 0.060 0.000 2.380 1056 S HA -0.255 4.215 4.470 -0.000 0.000 0.229 1056 S C 1.959 176.611 174.600 0.087 0.000 1.043 1056 S CA 1.587 59.834 58.200 0.077 0.000 1.038 1056 S CB -0.361 62.883 63.200 0.073 0.000 0.872 1056 S HN 0.368 nan 8.310 nan 0.000 0.456 1057 K N 0.658 121.104 120.400 0.076 0.000 2.103 1057 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 1057 K C 1.983 178.639 176.600 0.094 0.000 1.048 1057 K CA 1.057 57.389 56.287 0.075 0.000 0.930 1057 K CB -0.323 32.214 32.500 0.062 0.000 0.716 1057 K HN 0.341 nan 8.250 nan 0.000 0.444 1058 L N 0.328 121.617 121.223 0.109 0.000 2.131 1058 L HA -0.134 4.205 4.340 -0.000 0.000 0.206 1058 L C 2.326 179.344 176.870 0.245 0.000 1.087 1058 L CA 0.250 55.186 54.840 0.160 0.000 0.767 1058 L CB -0.330 41.817 42.059 0.146 0.000 0.917 1058 L HN 0.158 nan 8.230 nan 0.000 0.441 1059 L N 0.448 121.777 121.223 0.177 0.000 2.017 1059 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 1059 L C 2.718 179.741 176.870 0.255 0.000 1.073 1059 L CA 1.727 56.682 54.840 0.191 0.000 0.745 1059 L CB -0.583 41.547 42.059 0.118 0.000 0.894 1059 L HN 0.099 nan 8.230 nan 0.000 0.432 1060 R N 0.340 120.949 120.500 0.182 0.000 2.096 1060 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 1060 R C 2.111 178.480 176.300 0.115 0.000 1.127 1060 R CA 1.757 57.944 56.100 0.145 0.000 0.968 1060 R CB -0.536 29.824 30.300 0.100 0.000 0.861 1060 R HN 0.552 nan 8.270 nan 0.000 0.440 1061 E N -0.809 119.450 120.200 0.099 0.000 2.267 1061 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 1061 E C 1.058 177.624 176.600 -0.057 0.000 0.998 1061 E CA 0.966 57.371 56.400 0.010 0.000 0.830 1061 E CB -0.128 29.563 29.700 -0.015 0.000 0.751 1061 E HN 0.554 nan 8.360 nan 0.000 0.491 1062 H N -0.815 118.309 119.070 0.091 0.000 2.526 1062 H HA 0.123 4.679 4.556 -0.000 0.000 0.274 1062 H C 1.014 176.377 175.328 0.059 0.000 0.999 1062 H CA 0.670 56.789 56.048 0.119 0.000 1.157 1062 H CB 0.719 30.604 29.762 0.206 0.000 1.407 1062 H HN 0.287 nan 8.280 nan 0.000 0.568 1063 G N 0.740 109.583 108.800 0.070 0.000 2.198 1063 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 1063 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 1063 G C -0.551 174.199 174.900 -0.251 0.000 1.042 1063 G CA 0.080 45.123 45.100 -0.095 0.000 0.791 1063 G HN 0.402 nan 8.290 nan 0.000 0.502 1064 Y N -1.375 118.977 120.300 0.087 0.000 2.598 1064 Y HA 0.587 5.137 4.550 -0.000 0.000 0.340 1064 Y C 0.509 176.456 175.900 0.079 0.000 1.038 1064 Y CA -0.978 57.169 58.100 0.078 0.000 1.100 1064 Y CB 1.221 39.726 38.460 0.075 0.000 1.281 1064 Y HN 0.241 nan 8.280 nan 0.000 0.488 1065 Q N 0.794 120.762 119.800 0.280 0.000 2.263 1065 Q HA 0.029 4.368 4.340 -0.000 0.000 0.289 1065 Q C 0.731 176.861 176.000 0.216 0.000 1.061 1065 Q CA 0.680 56.612 55.803 0.214 0.000 0.927 1065 Q CB 1.048 29.926 28.738 0.232 0.000 1.154 1065 Q HN 0.723 nan 8.270 nan 0.000 0.378 1066 S N 3.831 119.635 115.700 0.173 0.000 2.547 1066 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 1066 S C 0.613 175.320 174.600 0.178 0.000 0.980 1066 S CA 0.440 58.733 58.200 0.154 0.000 0.941 1066 S CB 0.071 63.340 63.200 0.115 0.000 0.763 1066 S HN 0.682 nan 8.310 nan 0.000 0.532 1067 R N 0.230 120.890 120.500 0.266 0.000 2.577 1067 R HA 0.371 4.710 4.340 -0.000 0.000 0.344 1067 R C 1.410 177.974 176.300 0.440 0.000 1.037 1067 R CA 0.304 56.629 56.100 0.376 0.000 1.102 1067 R CB -0.339 30.249 30.300 0.480 0.000 1.313 1067 R HN 0.532 nan 8.270 nan 0.000 0.561 1068 G N 0.992 109.919 108.800 0.212 0.000 2.179 1068 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 1068 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 1068 G C -0.032 174.800 174.900 -0.113 0.000 0.977 1068 G CA -0.169 44.864 45.100 -0.112 0.000 0.641 1068 G HN 0.244 nan 8.290 nan 0.000 0.533 1069 F N 1.661 121.693 119.950 0.137 0.000 2.443 1069 F HA 0.573 5.100 4.527 -0.000 0.000 0.353 1069 F C 0.949 176.797 175.800 0.079 0.000 1.101 1069 F CA 0.063 58.138 58.000 0.124 0.000 1.226 1069 F CB 0.800 39.869 39.000 0.115 0.000 1.140 1069 F HN 0.144 nan 8.300 nan 0.000 0.557 1070 E N 1.042 121.350 120.200 0.180 0.000 2.340 1070 E HA 0.413 4.762 4.350 -0.000 0.000 0.273 1070 E C -1.353 175.247 176.600 0.000 0.000 0.891 1070 E CA -1.102 55.351 56.400 0.090 0.000 0.757 1070 E CB 2.586 32.302 29.700 0.026 0.000 1.231 1070 E HN 0.195 nan 8.360 nan 0.000 0.439 1071 V N 3.819 123.712 119.914 -0.036 0.000 2.485 1071 V HA 0.077 4.197 4.120 -0.000 0.000 0.287 1071 V C 0.191 176.126 176.094 -0.266 0.000 1.022 1071 V CA 0.744 62.952 62.300 -0.153 0.000 1.067 1071 V CB -0.078 31.646 31.823 -0.164 0.000 0.967 1071 V HN 0.603 nan 8.190 nan 0.000 0.479 1072 M N 4.833 124.219 119.600 -0.356 0.000 2.662 1072 M HA 0.562 5.041 4.480 -0.000 0.000 0.310 1072 M C -1.526 174.406 176.300 -0.613 0.000 1.204 1072 M CA -0.656 54.398 55.300 -0.409 0.000 0.891 1072 M CB 2.605 35.023 32.600 -0.303 0.000 1.732 1072 M HN 0.494 nan 8.290 nan 0.000 0.467 1073 Y N 0.323 120.236 120.300 -0.644 0.000 2.376 1073 Y HA 0.293 4.843 4.550 -0.000 0.000 0.340 1073 Y C 0.285 175.873 175.900 -0.521 0.000 0.965 1073 Y CA -1.031 56.642 58.100 -0.710 0.000 1.078 1073 Y CB 0.959 38.641 38.460 -1.298 0.000 1.193 1073 Y HN 0.569 nan 8.280 nan 0.000 0.452 1074 N N 1.677 120.354 118.700 -0.040 0.000 2.447 1074 N HA -0.043 4.697 4.740 -0.000 0.000 0.263 1074 N C 1.104 176.749 175.510 0.225 0.000 1.226 1074 N CA 0.887 53.991 53.050 0.091 0.000 0.906 1074 N CB 1.495 39.983 38.487 0.001 0.000 1.060 1074 N HN 1.059 nan 8.380 nan 0.000 0.468 1075 G N 3.479 112.452 108.800 0.289 0.000 2.446 1075 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 1075 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 1075 G C 1.096 176.183 174.900 0.311 0.000 1.168 1075 G CA 0.827 46.151 45.100 0.373 0.000 0.771 1075 G HN 0.741 nan 8.290 nan 0.000 0.551 1076 H N 0.439 119.580 119.070 0.117 0.000 2.353 1076 H HA -0.012 4.544 4.556 -0.000 0.000 0.300 1076 H C 2.777 178.142 175.328 0.062 0.000 1.090 1076 H CA 1.748 57.822 56.048 0.042 0.000 1.327 1076 H CB -0.925 28.825 29.762 -0.020 0.000 1.383 1076 H HN 0.335 nan 8.280 nan 0.000 0.508 1077 T N -1.795 112.878 114.554 0.199 0.000 2.983 1077 T HA 0.241 4.591 4.350 -0.000 0.000 0.250 1077 T C 1.758 176.559 174.700 0.168 0.000 1.037 1077 T CA 1.014 63.199 62.100 0.142 0.000 1.142 1077 T CB -0.098 68.828 68.868 0.096 0.000 0.876 1077 T HN 0.609 nan 8.240 nan 0.000 0.455 1078 G N 2.061 111.011 108.800 0.249 0.000 2.179 1078 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 1078 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 1078 G C 0.134 175.208 174.900 0.291 0.000 0.977 1078 G CA 0.494 45.800 45.100 0.342 0.000 0.641 1078 G HN 0.675 nan 8.290 nan 0.000 0.533 1079 K N 1.011 121.526 120.400 0.191 0.000 2.237 1079 K HA 0.461 4.781 4.320 -0.000 0.000 0.270 1079 K C 0.796 177.439 176.600 0.072 0.000 1.015 1079 K CA -0.616 55.754 56.287 0.138 0.000 0.949 1079 K CB 0.406 32.944 32.500 0.064 0.000 0.976 1079 K HN 0.182 nan 8.250 nan 0.000 0.472 1080 K N 2.381 122.757 120.400 -0.041 0.000 2.380 1080 K HA 0.046 4.366 4.320 -0.000 0.000 0.267 1080 K C -0.241 176.217 176.600 -0.237 0.000 0.990 1080 K CA 0.013 56.080 56.287 -0.368 0.000 0.946 1080 K CB 0.386 32.660 32.500 -0.377 0.000 0.937 1080 K HN 0.461 nan 8.250 nan 0.000 0.491 1081 L N 3.292 124.339 121.223 -0.294 0.000 2.264 1081 L HA 0.118 4.458 4.340 -0.000 0.000 0.289 1081 L C 1.184 177.979 176.870 -0.125 0.000 1.044 1081 L CA -0.412 54.333 54.840 -0.158 0.000 0.807 1081 L CB 1.131 43.114 42.059 -0.125 0.000 1.192 1081 L HN 0.696 nan 8.230 nan 0.000 0.425 1082 M N 3.480 123.034 119.600 -0.077 0.000 2.435 1082 M HA -0.005 4.475 4.480 -0.000 0.000 0.262 1082 M C 0.465 176.740 176.300 -0.042 0.000 1.065 1082 M CA 0.880 56.145 55.300 -0.058 0.000 1.076 1082 M CB -0.142 32.435 32.600 -0.038 0.000 1.403 1082 M HN 0.541 nan 8.290 nan 0.000 0.454 1083 A N 0.139 122.943 122.820 -0.026 0.000 2.319 1083 A HA 0.643 4.963 4.320 -0.000 0.000 0.310 1083 A C -0.675 176.926 177.584 0.029 0.000 1.152 1083 A CA -0.911 51.129 52.037 0.005 0.000 0.783 1083 A CB 0.615 19.633 19.000 0.029 0.000 1.184 1083 A HN 0.339 nan 8.150 nan 0.000 0.474 1084 Q N 0.775 120.611 119.800 0.060 0.000 2.421 1084 Q HA 0.579 4.918 4.340 -0.000 0.000 0.255 1084 Q C -0.508 175.660 176.000 0.280 0.000 1.013 1084 Q CA 0.578 56.453 55.803 0.120 0.000 0.895 1084 Q CB 0.483 29.309 28.738 0.148 0.000 1.271 1084 Q HN 0.644 nan 8.270 nan 0.000 0.460 1085 I N 0.439 121.121 120.570 0.186 0.000 2.693 1085 I HA 0.303 4.473 4.170 -0.000 0.000 0.303 1085 I C -0.644 175.466 176.117 -0.012 0.000 1.025 1085 I CA -1.075 60.298 61.300 0.122 0.000 1.086 1085 I CB 1.125 39.164 38.000 0.064 0.000 1.268 1085 I HN 0.472 nan 8.210 nan 0.000 0.440 1086 F N 5.235 124.970 119.950 -0.358 0.000 2.462 1086 F HA 0.296 4.823 4.527 -0.000 0.000 0.360 1086 F C -0.816 174.929 175.800 -0.093 0.000 1.134 1086 F CA -0.035 57.695 58.000 -0.450 0.000 1.148 1086 F CB -0.097 38.603 39.000 -0.501 0.000 1.147 1086 F HN 0.132 nan 8.300 nan 0.000 0.550 1087 F N 4.415 124.022 119.950 -0.572 0.000 2.518 1087 F HA 0.749 5.276 4.527 -0.000 0.000 0.323 1087 F C -0.166 175.336 175.800 -0.496 0.000 1.129 1087 F CA -0.506 57.254 58.000 -0.400 0.000 0.920 1087 F CB 1.690 40.552 39.000 -0.231 0.000 1.160 1087 F HN 0.600 nan 8.300 nan 0.000 0.440 1088 G N 5.023 113.366 108.800 -0.761 0.000 2.361 1088 G HA2 0.321 4.281 3.960 -0.000 0.000 0.299 1088 G HA3 0.321 4.281 3.960 -0.000 0.000 0.299 1088 G C -3.464 171.163 174.900 -0.456 0.000 1.544 1088 G CA -1.046 43.710 45.100 -0.574 0.000 0.860 1088 G HN 0.320 nan 8.290 nan 0.000 0.610 1089 P HA 0.366 nan 4.420 nan 0.000 0.268 1089 P C -0.458 176.797 177.300 -0.076 0.000 1.205 1089 P CA 0.400 63.389 63.100 -0.185 0.000 0.771 1089 P CB 1.044 32.666 31.700 -0.131 0.000 0.858 1090 T N 2.201 116.769 114.554 0.024 0.000 3.032 1090 T HA 0.165 4.515 4.350 -0.000 0.000 0.312 1090 T C -0.983 173.896 174.700 0.299 0.000 1.078 1090 T CA -0.328 61.859 62.100 0.144 0.000 1.028 1090 T CB 0.607 69.585 68.868 0.182 0.000 1.091 1090 T HN 0.183 nan 8.240 nan 0.000 0.457 1091 Y N 2.964 123.337 120.300 0.121 0.000 2.569 1091 Y HA 0.370 4.920 4.550 -0.000 0.000 0.332 1091 Y C -0.972 175.060 175.900 0.220 0.000 1.120 1091 Y CA -0.114 58.079 58.100 0.155 0.000 1.416 1091 Y CB 0.107 38.616 38.460 0.081 0.000 1.210 1091 Y HN 0.563 nan 8.280 nan 0.000 0.528 1092 Y N 3.771 124.018 120.300 -0.089 0.000 2.409 1092 Y HA 0.391 4.941 4.550 -0.000 0.000 0.343 1092 Y C -0.322 175.596 175.900 0.030 0.000 0.973 1092 Y CA -1.005 57.124 58.100 0.048 0.000 1.064 1092 Y CB 1.679 40.252 38.460 0.188 0.000 1.207 1092 Y HN 0.495 nan 8.280 nan 0.000 0.452 1093 Q N 2.453 122.316 119.800 0.105 0.000 2.235 1093 Q HA 0.464 4.803 4.340 -0.000 0.000 0.256 1093 Q C -0.588 175.493 176.000 0.134 0.000 0.951 1093 Q CA -1.107 54.767 55.803 0.119 0.000 0.890 1093 Q CB 2.072 30.846 28.738 0.059 0.000 1.279 1093 Q HN 0.471 nan 8.270 nan 0.000 0.444 1094 R N 3.003 123.574 120.500 0.119 0.000 2.204 1094 R HA 0.268 4.607 4.340 -0.000 0.000 0.341 1094 R C -0.904 175.279 176.300 -0.194 0.000 1.035 1094 R CA -0.264 55.755 56.100 -0.135 0.000 0.887 1094 R CB 0.012 30.292 30.300 -0.033 0.000 1.114 1094 R HN 0.558 nan 8.270 nan 0.000 0.473 1095 L N 4.470 125.521 121.223 -0.286 0.000 2.452 1095 L HA 0.318 4.658 4.340 -0.000 0.000 0.267 1095 L C 1.133 177.840 176.870 -0.271 0.000 1.188 1095 L CA -0.469 54.237 54.840 -0.222 0.000 0.821 1095 L CB 0.343 42.296 42.059 -0.177 0.000 1.102 1095 L HN 0.621 nan 8.230 nan 0.000 0.470 1096 R N 0.631 120.985 120.500 -0.242 0.000 2.668 1096 R HA 0.245 4.584 4.340 -0.000 0.000 0.268 1096 R C -0.717 175.425 176.300 -0.263 0.000 1.232 1096 R CA -0.597 55.328 56.100 -0.290 0.000 1.166 1096 R CB 0.328 30.429 30.300 -0.332 0.000 1.179 1096 R HN 0.715 nan 8.270 nan 0.000 0.606 1097 H N -0.751 118.206 119.070 -0.188 0.000 3.276 1097 H HA -0.087 4.469 4.556 -0.000 0.000 0.369 1097 H C -1.056 174.158 175.328 -0.190 0.000 1.231 1097 H CA 0.737 56.682 56.048 -0.172 0.000 1.221 1097 H CB -1.396 28.274 29.762 -0.153 0.000 1.558 1097 H HN 0.568 nan 8.280 nan 0.000 0.427 1098 M N 1.280 120.823 119.600 -0.095 0.000 2.363 1098 M HA 0.233 4.713 4.480 -0.000 0.000 0.343 1098 M C 1.823 178.072 176.300 -0.085 0.000 1.165 1098 M CA -0.730 54.493 55.300 -0.130 0.000 1.046 1098 M CB 1.925 34.421 32.600 -0.174 0.000 1.648 1098 M HN 0.111 nan 8.290 nan 0.000 0.452 1099 V N 1.641 121.512 119.914 -0.071 0.000 2.282 1099 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 1099 V C 1.397 177.468 176.094 -0.038 0.000 1.057 1099 V CA 2.248 64.520 62.300 -0.046 0.000 1.032 1099 V CB -0.447 31.355 31.823 -0.034 0.000 0.645 1099 V HN 0.881 nan 8.190 nan 0.000 0.447 1100 D N -0.105 120.267 120.400 -0.047 0.000 2.228 1100 D HA -0.147 4.493 4.640 -0.000 0.000 0.203 1100 D C 1.522 177.799 176.300 -0.038 0.000 0.988 1100 D CA 1.151 55.128 54.000 -0.038 0.000 0.864 1100 D CB -0.284 40.489 40.800 -0.045 0.000 0.928 1100 D HN 0.467 nan 8.370 nan 0.000 0.469 1101 D N -0.671 119.693 120.400 -0.059 0.000 2.319 1101 D HA 0.056 4.696 4.640 -0.000 0.000 0.230 1101 D C 1.053 177.344 176.300 -0.014 0.000 1.094 1101 D CA 0.340 54.309 54.000 -0.053 0.000 0.856 1101 D CB 0.347 41.087 40.800 -0.099 0.000 0.915 1101 D HN 0.246 nan 8.370 nan 0.000 0.517 1102 K N -0.541 119.855 120.400 -0.007 0.000 2.588 1102 K HA 0.236 4.556 4.320 -0.000 0.000 0.216 1102 K C 0.709 177.328 176.600 0.033 0.000 1.382 1102 K CA -0.028 56.263 56.287 0.006 0.000 1.008 1102 K CB 1.225 33.714 32.500 -0.019 0.000 1.138 1102 K HN -0.016 nan 8.250 nan 0.000 0.619 1103 I N 2.663 123.251 120.570 0.029 0.000 3.205 1103 I HA -0.025 4.145 4.170 -0.000 0.000 0.283 1103 I C 0.391 176.549 176.117 0.068 0.000 1.157 1103 I CA -0.134 61.185 61.300 0.032 0.000 1.675 1103 I CB -1.394 36.613 38.000 0.010 0.000 1.241 1103 I HN 0.118 nan 8.210 nan 0.000 0.669 1104 H N 3.105 122.170 119.070 -0.008 0.000 3.064 1104 H HA 0.400 4.956 4.556 -0.000 0.000 0.329 1104 H C -0.208 175.120 175.328 -0.000 0.000 1.020 1104 H CA -0.137 55.909 56.048 -0.003 0.000 1.402 1104 H CB 0.566 30.327 29.762 -0.002 0.000 1.379 1104 H HN 0.509 nan 8.280 nan 0.000 0.594 1105 A N 5.825 128.324 122.820 -0.534 0.000 2.456 1105 A HA 0.500 4.820 4.320 -0.000 0.000 0.288 1105 A C -0.737 176.593 177.584 -0.423 0.000 1.042 1105 A CA -0.827 50.924 52.037 -0.476 0.000 0.738 1105 A CB 1.081 19.968 19.000 -0.187 0.000 1.266 1105 A HN 0.834 nan 8.150 nan 0.000 0.407 1106 R N 1.702 121.969 120.500 -0.389 0.000 2.803 1106 R HA 0.846 5.186 4.340 -0.000 0.000 0.276 1106 R C -0.963 175.285 176.300 -0.087 0.000 0.978 1106 R CA -0.134 55.885 56.100 -0.136 0.000 0.939 1106 R CB 2.017 32.314 30.300 -0.006 0.000 1.179 1106 R HN 1.340 nan 8.270 nan 0.000 0.472 1107 A N 4.463 127.255 122.820 -0.047 0.000 2.984 1107 A HA 0.327 4.647 4.320 -0.000 0.000 0.320 1107 A C -0.949 176.615 177.584 -0.032 0.000 1.142 1107 A CA -0.518 51.494 52.037 -0.043 0.000 0.772 1107 A CB 0.189 19.163 19.000 -0.043 0.000 1.195 1107 A HN 1.003 nan 8.150 nan 0.000 0.459 1108 R N -0.326 120.157 120.500 -0.028 0.000 1.270 1108 R HA 0.035 4.375 4.340 -0.000 0.000 0.409 1108 R C -0.049 176.241 176.300 -0.017 0.000 1.343 1108 R CA 1.041 57.126 56.100 -0.025 0.000 1.285 1108 R CB -1.314 28.965 30.300 -0.035 0.000 3.625 1108 R HN 1.987 nan 8.270 nan 0.000 0.485 1109 G N 2.648 111.441 108.800 -0.010 0.000 2.635 1109 G HA2 0.579 4.539 3.960 -0.000 0.000 0.194 1109 G HA3 0.579 4.539 3.960 -0.000 0.000 0.194 1109 G C -2.864 172.031 174.900 -0.008 0.000 1.198 1109 G CA -0.360 44.737 45.100 -0.006 0.000 0.972 1109 G HN 0.618 nan 8.290 nan 0.000 0.520 1110 P HA 0.331 nan 4.420 nan 0.000 0.276 1110 P C -0.316 176.980 177.300 -0.006 0.000 1.253 1110 P CA 0.290 63.386 63.100 -0.007 0.000 0.766 1110 P CB 0.762 32.462 31.700 -0.001 0.000 0.845 1111 M N 1.732 121.322 119.600 -0.017 0.000 2.471 1111 M HA 0.299 4.779 4.480 -0.000 0.000 0.309 1111 M C 0.767 177.059 176.300 -0.013 0.000 1.186 1111 M CA -0.788 54.502 55.300 -0.016 0.000 1.008 1111 M CB 0.977 33.558 32.600 -0.031 0.000 1.551 1111 M HN 0.330 nan 8.290 nan 0.000 0.477 1112 Q N 0.173 119.972 119.800 -0.002 0.000 2.443 1112 Q HA 0.160 4.499 4.340 -0.000 0.000 0.232 1112 Q C 0.969 176.970 176.000 0.002 0.000 1.026 1112 Q CA -0.463 55.343 55.803 0.005 0.000 0.924 1112 Q CB 1.264 30.013 28.738 0.017 0.000 1.256 1112 Q HN 0.528 nan 8.270 nan 0.000 0.519 1113 V N 1.281 121.199 119.914 0.007 0.000 2.407 1113 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 1113 V C 1.692 177.810 176.094 0.039 0.000 1.041 1113 V CA 1.192 63.492 62.300 0.001 0.000 1.040 1113 V CB -0.352 31.474 31.823 0.004 0.000 0.671 1113 V HN 0.636 nan 8.190 nan 0.000 0.455 1114 L N 0.211 121.470 121.223 0.061 0.000 2.131 1114 L HA -0.024 4.315 4.340 -0.000 0.000 0.206 1114 L C 2.042 179.017 176.870 0.175 0.000 1.087 1114 L CA 2.326 57.223 54.840 0.095 0.000 0.767 1114 L CB -0.556 41.529 42.059 0.044 0.000 0.917 1114 L HN 0.380 nan 8.230 nan 0.000 0.441 1115 T N -1.982 112.660 114.554 0.147 0.000 2.985 1115 T HA 0.187 4.536 4.350 -0.000 0.000 0.254 1115 T C 0.858 175.734 174.700 0.294 0.000 1.021 1115 T CA -0.006 62.198 62.100 0.172 0.000 0.957 1115 T CB 0.210 69.114 68.868 0.060 0.000 1.047 1115 T HN 0.239 nan 8.240 nan 0.000 0.511 1116 R N 0.795 121.376 120.500 0.135 0.000 3.932 1116 R HA -0.174 4.166 4.340 -0.000 0.000 0.318 1116 R C -0.064 176.246 176.300 0.017 0.000 1.219 1116 R CA 0.657 56.748 56.100 -0.014 0.000 0.889 1116 R CB -1.698 28.465 30.300 -0.229 0.000 1.309 1116 R HN 0.516 nan 8.270 nan 0.000 0.537 1117 Q N 0.445 120.271 119.800 0.044 0.000 2.235 1117 Q HA 0.298 4.638 4.340 -0.000 0.000 0.250 1117 Q C -2.268 173.741 176.000 0.015 0.000 0.909 1117 Q CA -2.214 53.605 55.803 0.027 0.000 0.910 1117 Q CB 1.283 30.041 28.738 0.033 0.000 1.223 1117 Q HN -0.152 nan 8.270 nan 0.000 0.432 1118 P HA -0.150 nan 4.420 nan 0.000 0.266 1118 P C -0.709 176.601 177.300 0.018 0.000 1.180 1118 P CA 0.181 63.289 63.100 0.013 0.000 0.765 1118 P CB 0.305 32.018 31.700 0.021 0.000 0.806 1119 V N -0.253 119.670 119.914 0.015 0.000 3.083 1119 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 1119 V C 0.299 176.394 176.094 0.002 0.000 1.077 1119 V CA -0.468 61.837 62.300 0.008 0.000 1.073 1119 V CB 0.756 32.581 31.823 0.003 0.000 1.081 1119 V HN 0.487 nan 8.190 nan 0.000 0.474 1120 E N 0.884 121.079 120.200 -0.008 0.000 2.280 1120 E HA 0.568 4.918 4.350 -0.000 0.000 0.264 1120 E C 0.228 176.795 176.600 -0.056 0.000 1.064 1120 E CA 0.133 56.519 56.400 -0.023 0.000 0.900 1120 E CB 1.399 31.091 29.700 -0.013 0.000 1.123 1120 E HN 1.753 nan 8.360 nan 0.000 0.418 1121 G N 1.557 110.304 108.800 -0.089 0.000 2.728 1121 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.686 1121 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.686 1121 G C 0.233 174.985 174.900 -0.247 0.000 1.337 1121 G CA 0.211 45.235 45.100 -0.127 0.000 0.861 1121 G HN 0.747 nan 8.290 nan 0.000 0.597 1122 R N -0.161 120.157 120.500 -0.303 0.000 2.254 1122 R HA 0.191 4.530 4.340 -0.000 0.000 0.195 1122 R C 2.467 178.668 176.300 -0.165 0.000 0.957 1122 R CA 1.484 57.307 56.100 -0.462 0.000 1.024 1122 R CB -0.261 29.790 30.300 -0.414 0.000 0.952 1122 R HN 0.850 nan 8.270 nan 0.000 0.484 1123 S N 1.204 116.851 115.700 -0.088 0.000 2.447 1123 S HA -0.050 4.419 4.470 -0.000 0.000 0.233 1123 S C 1.666 176.258 174.600 -0.013 0.000 1.006 1123 S CA 0.613 58.800 58.200 -0.021 0.000 0.957 1123 S CB -0.159 63.041 63.200 -0.000 0.000 0.773 1123 S HN 0.422 nan 8.310 nan 0.000 0.507 1124 R N 0.941 121.419 120.500 -0.037 0.000 2.359 1124 R HA 0.198 4.538 4.340 -0.000 0.000 0.231 1124 R C -0.428 175.868 176.300 -0.006 0.000 0.913 1124 R CA 0.372 56.463 56.100 -0.016 0.000 1.075 1124 R CB -0.089 30.201 30.300 -0.016 0.000 1.087 1124 R HN 0.269 nan 8.270 nan 0.000 0.515 1125 D N 0.578 120.972 120.400 -0.010 0.000 2.828 1125 D HA -0.114 4.526 4.640 -0.000 0.000 0.241 1125 D C -0.210 176.150 176.300 0.101 0.000 1.142 1125 D CA 1.012 55.058 54.000 0.077 0.000 0.755 1125 D CB -0.954 39.892 40.800 0.078 0.000 1.014 1125 D HN 0.424 nan 8.370 nan 0.000 0.420 1126 G N -0.399 108.409 108.800 0.013 0.000 2.613 1126 G HA2 0.761 4.721 3.960 -0.000 0.000 0.303 1126 G HA3 0.761 4.721 3.960 -0.000 0.000 0.303 1126 G C 0.463 175.505 174.900 0.237 0.000 1.312 1126 G CA -0.191 44.939 45.100 0.050 0.000 1.036 1126 G HN 0.478 nan 8.290 nan 0.000 0.513 1127 G N -1.570 107.321 108.800 0.153 0.000 2.461 1127 G HA2 0.556 4.516 3.960 -0.000 0.000 0.329 1127 G HA3 0.556 4.516 3.960 -0.000 0.000 0.329 1127 G C -0.583 174.413 174.900 0.160 0.000 1.170 1127 G CA -0.750 44.448 45.100 0.163 0.000 0.935 1127 G HN 0.535 nan 8.290 nan 0.000 0.492 1128 L N -0.119 121.190 121.223 0.145 0.000 2.360 1128 L HA 0.486 4.826 4.340 -0.000 0.000 0.271 1128 L C 0.695 177.640 176.870 0.125 0.000 1.057 1128 L CA -1.070 53.852 54.840 0.136 0.000 0.803 1128 L CB 1.405 43.544 42.059 0.133 0.000 1.207 1128 L HN 0.409 nan 8.230 nan 0.000 0.445 1129 R N 1.366 121.929 120.500 0.104 0.000 2.351 1129 R HA 0.058 4.398 4.340 -0.000 0.000 0.318 1129 R C -0.871 175.520 176.300 0.151 0.000 1.055 1129 R CA 0.436 56.597 56.100 0.102 0.000 0.968 1129 R CB -0.165 30.166 30.300 0.051 0.000 0.974 1129 R HN 0.413 nan 8.270 nan 0.000 0.439 1130 F N 5.468 125.433 119.950 0.024 0.000 2.550 1130 F HA 0.448 4.975 4.527 -0.000 0.000 0.312 1130 F C 0.713 176.529 175.800 0.027 0.000 1.256 1130 F CA -0.357 57.663 58.000 0.033 0.000 1.182 1130 F CB 0.268 39.287 39.000 0.032 0.000 1.383 1130 F HN 0.699 nan 8.300 nan 0.000 0.541 1131 G N 1.334 110.131 108.800 -0.005 0.000 2.479 1131 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.275 1131 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.275 1131 G C 0.895 175.764 174.900 -0.052 0.000 1.421 1131 G CA -0.151 44.946 45.100 -0.005 0.000 1.059 1131 G HN 0.442 nan 8.290 nan 0.000 0.535 1132 E N -1.051 119.130 120.200 -0.032 0.000 2.023 1132 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 1132 E C 2.577 179.137 176.600 -0.067 0.000 1.003 1132 E CA 1.213 57.597 56.400 -0.026 0.000 0.809 1132 E CB -0.192 29.497 29.700 -0.018 0.000 0.755 1132 E HN 0.439 nan 8.360 nan 0.000 0.449 1133 M N 0.593 120.139 119.600 -0.090 0.000 2.080 1133 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 1133 M C 1.972 178.174 176.300 -0.164 0.000 1.068 1133 M CA 1.608 56.846 55.300 -0.103 0.000 1.109 1133 M CB -0.028 32.517 32.600 -0.091 0.000 1.342 1133 M HN -0.067 nan 8.290 nan 0.000 0.405 1134 E N -0.399 119.623 120.200 -0.298 0.000 2.160 1134 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 1134 E C 1.876 178.212 176.600 -0.440 0.000 0.991 1134 E CA 1.129 57.218 56.400 -0.517 0.000 0.810 1134 E CB -0.402 28.662 29.700 -1.060 0.000 0.742 1134 E HN 0.399 nan 8.360 nan 0.000 0.466 1135 R N 0.769 121.111 120.500 -0.264 0.000 2.062 1135 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 1135 R C 1.180 177.514 176.300 0.056 0.000 1.136 1135 R CA 1.709 57.845 56.100 0.059 0.000 0.948 1135 R CB -0.160 30.217 30.300 0.127 0.000 0.845 1135 R HN 0.129 nan 8.270 nan 0.000 0.430 1136 D N 0.431 120.827 120.400 -0.007 0.000 2.158 1136 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 1136 D C 1.984 178.271 176.300 -0.020 0.000 0.995 1136 D CA 1.367 55.362 54.000 -0.009 0.000 0.846 1136 D CB -0.530 40.251 40.800 -0.031 0.000 0.941 1136 D HN 0.358 nan 8.370 nan 0.000 0.456 1137 C N 0.537 119.818 119.300 -0.033 0.000 2.440 1137 C HA -0.044 4.416 4.460 -0.000 0.000 0.278 1137 C C 2.659 177.678 174.990 0.048 0.000 1.295 1137 C CA 0.221 59.211 59.018 -0.047 0.000 1.738 1137 C CB -0.624 27.107 27.740 -0.016 0.000 1.987 1137 C HN 0.309 nan 8.230 nan 0.000 0.492 1138 M N 0.685 120.375 119.600 0.150 0.000 2.175 1138 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 1138 M C 1.953 178.353 176.300 0.167 0.000 1.063 1138 M CA 1.360 56.802 55.300 0.236 0.000 1.119 1138 M CB -1.208 31.622 32.600 0.383 0.000 1.377 1138 M HN 0.364 nan 8.290 nan 0.000 0.415 1139 I N -0.129 120.507 120.570 0.110 0.000 2.315 1139 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 1139 I C 2.482 178.613 176.117 0.023 0.000 1.117 1139 I CA 0.980 62.323 61.300 0.071 0.000 1.404 1139 I CB -0.575 37.457 38.000 0.053 0.000 1.071 1139 I HN 0.194 nan 8.210 nan 0.000 0.419 1140 A N 0.320 123.117 122.820 -0.039 0.000 1.877 1140 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 1140 A C 2.153 179.647 177.584 -0.149 0.000 1.186 1140 A CA 1.490 53.451 52.037 -0.127 0.000 0.620 1140 A CB -0.887 17.980 19.000 -0.223 0.000 0.822 1140 A HN 0.411 nan 8.150 nan 0.000 0.443 1141 H N -0.896 118.167 119.070 -0.012 0.000 2.489 1141 H HA 0.046 4.602 4.556 -0.000 0.000 0.293 1141 H C 1.752 177.074 175.328 -0.010 0.000 1.066 1141 H CA 0.949 56.983 56.048 -0.023 0.000 1.305 1141 H CB -0.332 29.400 29.762 -0.050 0.000 1.386 1141 H HN 0.686 nan 8.280 nan 0.000 0.551 1142 G N 0.178 109.045 108.800 0.110 0.000 2.160 1142 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 1142 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 1142 G C 0.503 175.456 174.900 0.088 0.000 1.022 1142 G CA 0.340 45.488 45.100 0.079 0.000 0.741 1142 G HN 0.681 nan 8.290 nan 0.000 0.508 1143 A N -0.126 122.763 122.820 0.114 0.000 3.056 1143 A HA 0.813 5.133 4.320 -0.000 0.000 0.274 1143 A C 1.690 179.371 177.584 0.163 0.000 1.661 1143 A CA 0.992 53.093 52.037 0.107 0.000 1.363 1143 A CB -0.227 18.794 19.000 0.034 0.000 1.139 1143 A HN 1.728 nan 8.150 nan 0.000 0.598 1144 A N 0.694 123.586 122.820 0.120 0.000 1.877 1144 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 1144 A C 2.422 180.071 177.584 0.108 0.000 1.186 1144 A CA 2.179 54.281 52.037 0.108 0.000 0.620 1144 A CB -0.560 18.483 19.000 0.073 0.000 0.822 1144 A HN 0.582 nan 8.150 nan 0.000 0.443 1145 S N -1.137 114.626 115.700 0.104 0.000 2.355 1145 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 1145 S C 1.679 176.336 174.600 0.096 0.000 1.031 1145 S CA 1.383 59.633 58.200 0.082 0.000 0.993 1145 S CB -0.549 62.693 63.200 0.070 0.000 0.859 1145 S HN 0.623 nan 8.310 nan 0.000 0.453 1146 F N 2.251 122.199 119.950 -0.003 0.000 2.126 1146 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 1146 F C 1.987 177.763 175.800 -0.039 0.000 1.096 1146 F CA 1.186 59.173 58.000 -0.020 0.000 1.255 1146 F CB -0.290 38.709 39.000 -0.001 0.000 0.997 1146 F HN 0.108 nan 8.300 nan 0.000 0.479 1147 L N 0.663 122.034 121.223 0.247 0.000 2.043 1147 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 1147 L C 2.618 179.458 176.870 -0.050 0.000 1.075 1147 L CA 2.089 57.003 54.840 0.123 0.000 0.752 1147 L CB -0.611 41.560 42.059 0.187 0.000 0.891 1147 L HN 0.265 nan 8.230 nan 0.000 0.432 1148 K N -0.095 120.283 120.400 -0.037 0.000 2.103 1148 K HA -0.237 4.083 4.320 -0.000 0.000 0.204 1148 K C 1.950 178.472 176.600 -0.130 0.000 1.052 1148 K CA 1.381 57.635 56.287 -0.056 0.000 0.945 1148 K CB -0.057 32.434 32.500 -0.016 0.000 0.722 1148 K HN 0.342 nan 8.250 nan 0.000 0.443 1149 E N 0.395 120.480 120.200 -0.192 0.000 2.150 1149 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 1149 E C 1.934 178.311 176.600 -0.372 0.000 0.985 1149 E CA 0.702 56.948 56.400 -0.256 0.000 0.814 1149 E CB 0.211 29.755 29.700 -0.260 0.000 0.752 1149 E HN 0.165 nan 8.360 nan 0.000 0.466 1150 R N -0.007 120.166 120.500 -0.546 0.000 2.073 1150 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 1150 R C 1.895 177.945 176.300 -0.417 0.000 1.120 1150 R CA 0.558 56.263 56.100 -0.658 0.000 0.967 1150 R CB -0.348 29.293 30.300 -1.099 0.000 0.862 1150 R HN 0.204 nan 8.270 nan 0.000 0.436 1151 L N -0.026 121.034 121.223 -0.271 0.000 2.629 1151 L HA 0.150 4.490 4.340 -0.000 0.000 0.230 1151 L C 1.304 178.120 176.870 -0.088 0.000 1.151 1151 L CA 0.744 55.505 54.840 -0.133 0.000 0.924 1151 L CB 0.007 42.036 42.059 -0.050 0.000 1.137 1151 L HN 0.086 nan 8.230 nan 0.000 0.457 1152 M N -2.089 117.442 119.600 -0.115 0.000 2.222 1152 M HA 0.119 4.599 4.480 -0.000 0.000 0.175 1152 M C 1.582 177.828 176.300 -0.090 0.000 2.011 1152 M CA 0.346 55.601 55.300 -0.074 0.000 1.070 1152 M CB -0.174 32.389 32.600 -0.061 0.000 1.478 1152 M HN -0.054 nan 8.290 nan 0.000 0.620 1153 E N 1.507 121.639 120.200 -0.114 0.000 2.171 1153 E HA -0.030 4.320 4.350 -0.000 0.000 0.197 1153 E C 0.437 176.967 176.600 -0.117 0.000 0.997 1153 E CA 1.052 57.384 56.400 -0.114 0.000 0.810 1153 E CB -0.065 29.564 29.700 -0.118 0.000 0.738 1153 E HN 0.392 nan 8.360 nan 0.000 0.467 1154 A N 1.191 123.921 122.820 -0.150 0.000 2.322 1154 A HA 0.538 4.858 4.320 -0.000 0.000 0.327 1154 A C 0.136 177.652 177.584 -0.113 0.000 1.394 1154 A CA 0.196 52.150 52.037 -0.138 0.000 0.921 1154 A CB 0.034 18.926 19.000 -0.180 0.000 1.153 1154 A HN 0.236 nan 8.150 nan 0.000 0.523 1155 S N 1.880 117.537 115.700 -0.071 0.000 4.091 1155 S HA -0.172 4.297 4.470 -0.000 0.000 0.633 1155 S C -0.601 173.988 174.600 -0.019 0.000 1.645 1155 S CA 0.222 58.397 58.200 -0.040 0.000 2.486 1155 S CB -1.491 61.687 63.200 -0.038 0.000 0.309 1155 S HN 0.740 nan 8.310 nan 0.000 1.137 1156 D N 3.025 123.430 120.400 0.009 0.000 2.659 1156 D HA 0.477 5.117 4.640 -0.000 0.000 0.264 1156 D C 0.149 176.483 176.300 0.057 0.000 1.329 1156 D CA 1.909 55.942 54.000 0.056 0.000 0.963 1156 D CB -0.084 40.752 40.800 0.060 0.000 1.136 1156 D HN 1.219 nan 8.370 nan 0.000 0.554 1157 A N 3.373 126.241 122.820 0.079 0.000 2.414 1157 A HA 0.556 4.875 4.320 -0.000 0.000 0.286 1157 A C -1.375 176.325 177.584 0.192 0.000 1.073 1157 A CA -0.750 51.331 52.037 0.073 0.000 0.727 1157 A CB 1.062 20.051 19.000 -0.019 0.000 1.215 1157 A HN 0.270 nan 8.150 nan 0.000 0.430 1158 F N 2.545 122.504 119.950 0.015 0.000 2.601 1158 F HA 0.679 5.205 4.527 -0.000 0.000 0.309 1158 F C -0.600 175.253 175.800 0.088 0.000 1.089 1158 F CA -1.062 56.964 58.000 0.043 0.000 0.940 1158 F CB 1.652 40.724 39.000 0.120 0.000 1.273 1158 F HN 0.586 nan 8.300 nan 0.000 0.450 1159 R N 4.728 124.920 120.500 -0.514 0.000 2.294 1159 R HA 0.728 5.067 4.340 -0.000 0.000 0.319 1159 R C -2.073 173.617 176.300 -1.017 0.000 0.984 1159 R CA -0.318 55.487 56.100 -0.491 0.000 0.861 1159 R CB 1.287 31.509 30.300 -0.130 0.000 1.104 1159 R HN 0.571 nan 8.270 nan 0.000 0.451 1160 V N 4.694 124.190 119.914 -0.697 0.000 2.735 1160 V HA 0.359 4.479 4.120 -0.000 0.000 0.310 1160 V C -0.256 175.564 176.094 -0.456 0.000 1.061 1160 V CA -0.943 61.029 62.300 -0.546 0.000 0.913 1160 V CB 2.069 33.713 31.823 -0.298 0.000 1.005 1160 V HN 0.742 nan 8.190 nan 0.000 0.428 1161 H N 4.236 123.223 119.070 -0.137 0.000 2.502 1161 H HA 0.621 5.177 4.556 -0.000 0.000 0.327 1161 H C -0.705 174.551 175.328 -0.119 0.000 1.099 1161 H CA -0.057 55.899 56.048 -0.154 0.000 1.323 1161 H CB 1.816 31.473 29.762 -0.176 0.000 1.450 1161 H HN 0.446 nan 8.280 nan 0.000 0.502 1162 I N 1.465 122.021 120.570 -0.023 0.000 2.608 1162 I HA 0.096 4.266 4.170 -0.000 0.000 0.295 1162 I C 0.265 176.351 176.117 -0.051 0.000 1.049 1162 I CA -0.832 60.440 61.300 -0.047 0.000 1.063 1162 I CB 2.288 40.241 38.000 -0.079 0.000 1.248 1162 I HN 0.485 nan 8.210 nan 0.000 0.424 1163 C N 4.413 123.670 119.300 -0.071 0.000 2.648 1163 C HA 0.249 4.709 4.460 -0.000 0.000 0.415 1163 C C 1.847 176.793 174.990 -0.075 0.000 1.366 1163 C CA 0.104 59.081 59.018 -0.069 0.000 1.756 1163 C CB -0.446 27.255 27.740 -0.065 0.000 2.549 1163 C HN 1.053 nan 8.230 nan 0.000 0.597 1164 G N 4.611 113.418 108.800 0.012 0.000 2.509 1164 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 1164 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 1164 G C 1.136 176.030 174.900 -0.011 0.000 1.124 1164 G CA 0.853 46.019 45.100 0.110 0.000 0.776 1164 G HN 0.838 nan 8.290 nan 0.000 0.547 1165 I N -0.012 120.541 120.570 -0.028 0.000 2.899 1165 I HA 0.107 4.277 4.170 -0.000 0.000 0.257 1165 I C 0.814 176.936 176.117 0.008 0.000 1.115 1165 I CA 0.208 61.528 61.300 0.032 0.000 1.451 1165 I CB 0.340 38.365 38.000 0.042 0.000 1.251 1165 I HN 0.227 nan 8.210 nan 0.000 0.456 1166 C N 1.304 120.567 119.300 -0.061 0.000 2.271 1166 C HA 0.672 5.131 4.460 -0.000 0.000 0.323 1166 C C 1.213 176.091 174.990 -0.186 0.000 1.245 1166 C CA -1.129 57.853 59.018 -0.061 0.000 1.548 1166 C CB -0.369 27.363 27.740 -0.014 0.000 2.214 1166 C HN 0.545 nan 8.230 nan 0.000 0.477 1167 G N 4.352 112.955 108.800 -0.328 0.000 3.100 1167 G HA2 0.319 4.279 3.960 -0.000 0.000 0.246 1167 G HA3 0.319 4.279 3.960 -0.000 0.000 0.246 1167 G C 0.006 174.766 174.900 -0.233 0.000 0.898 1167 G CA 0.090 44.940 45.100 -0.417 0.000 1.934 1167 G HN 0.844 nan 8.290 nan 0.000 0.600 1168 L N -0.948 120.185 121.223 -0.151 0.000 2.319 1168 L HA 0.495 4.834 4.340 -0.000 0.000 0.267 1168 L C 0.745 177.587 176.870 -0.046 0.000 1.011 1168 L CA -1.102 53.688 54.840 -0.084 0.000 0.818 1168 L CB 1.851 43.883 42.059 -0.044 0.000 1.316 1168 L HN 0.026 nan 8.230 nan 0.000 0.432 1169 M N 1.280 120.883 119.600 0.004 0.000 3.690 1169 M HA 0.159 4.638 4.480 -0.000 0.000 0.209 1169 M C -0.202 176.133 176.300 0.058 0.000 1.403 1169 M CA 0.058 55.385 55.300 0.045 0.000 1.621 1169 M CB -0.529 32.130 32.600 0.098 0.000 1.056 1169 M HN 0.593 nan 8.290 nan 0.000 0.593 1170 T N -1.247 113.328 114.554 0.035 0.000 3.132 1170 T HA 0.199 4.549 4.350 -0.000 0.000 0.274 1170 T C 0.480 175.205 174.700 0.043 0.000 1.011 1170 T CA -0.130 61.993 62.100 0.039 0.000 0.899 1170 T CB 0.378 69.258 68.868 0.020 0.000 1.089 1170 T HN 0.225 nan 8.240 nan 0.000 0.543 1171 V N 2.833 122.775 119.914 0.048 0.000 2.461 1171 V HA 0.321 4.441 4.120 -0.000 0.000 0.275 1171 V C 0.314 176.460 176.094 0.086 0.000 1.047 1171 V CA -0.787 61.540 62.300 0.046 0.000 0.955 1171 V CB 0.747 32.568 31.823 -0.004 0.000 0.988 1171 V HN 0.459 nan 8.190 nan 0.000 0.471 1172 I N 4.910 125.534 120.570 0.091 0.000 2.406 1172 I HA 0.229 4.399 4.170 -0.000 0.000 0.293 1172 I C 0.955 177.145 176.117 0.123 0.000 1.101 1172 I CA 0.150 61.508 61.300 0.097 0.000 1.334 1172 I CB 0.751 38.794 38.000 0.072 0.000 1.421 1172 I HN 0.692 nan 8.210 nan 0.000 0.513 1173 A N 7.851 130.738 122.820 0.111 0.000 2.539 1173 A HA 0.226 4.546 4.320 -0.000 0.000 0.306 1173 A C 0.376 177.957 177.584 -0.005 0.000 1.392 1173 A CA -0.407 51.675 52.037 0.075 0.000 1.060 1173 A CB -0.368 18.691 19.000 0.099 0.000 1.134 1173 A HN 0.682 nan 8.150 nan 0.000 0.542 1174 K N 3.654 123.976 120.400 -0.129 0.000 2.403 1174 K HA 0.250 4.570 4.320 -0.000 0.000 0.235 1174 K C -0.817 175.611 176.600 -0.287 0.000 1.142 1174 K CA -0.083 56.115 56.287 -0.149 0.000 1.114 1174 K CB 0.388 32.853 32.500 -0.059 0.000 1.777 1174 K HN 0.660 nan 8.250 nan 0.000 0.424 1175 L N 2.824 123.921 121.223 -0.211 0.000 2.536 1175 L HA 0.009 4.348 4.340 -0.000 0.000 0.282 1175 L C 0.589 177.297 176.870 -0.271 0.000 1.174 1175 L CA 0.174 54.887 54.840 -0.211 0.000 0.989 1175 L CB -0.446 41.575 42.059 -0.062 0.000 1.311 1175 L HN 0.665 nan 8.230 nan 0.000 0.455 1176 N N -0.573 117.895 118.700 -0.387 0.000 2.476 1176 N HA -0.099 4.640 4.740 -0.000 0.000 0.324 1176 N C 0.789 175.986 175.510 -0.522 0.000 1.114 1176 N CA 0.091 52.847 53.050 -0.490 0.000 1.978 1176 N CB 0.147 38.223 38.487 -0.685 0.000 2.208 1176 N HN 0.504 nan 8.380 nan 0.000 1.160 1177 H N 0.857 119.838 119.070 -0.148 0.000 2.592 1177 H HA 0.391 4.946 4.556 -0.000 0.000 0.279 1177 H C 0.185 175.391 175.328 -0.204 0.000 1.089 1177 H CA -0.156 55.807 56.048 -0.142 0.000 1.150 1177 H CB 0.349 30.040 29.762 -0.118 0.000 1.575 1177 H HN 0.127 nan 8.280 nan 0.000 0.547 1178 N N 1.173 119.719 118.700 -0.258 0.000 2.717 1178 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 1178 N C -0.077 175.098 175.510 -0.559 0.000 1.099 1178 N CA 0.828 53.633 53.050 -0.409 0.000 0.843 1178 N CB -0.938 37.428 38.487 -0.201 0.000 1.155 1178 N HN 0.602 nan 8.380 nan 0.000 0.580 1179 Q N -0.898 118.673 119.800 -0.382 0.000 2.332 1179 Q HA 0.311 4.650 4.340 -0.000 0.000 0.263 1179 Q C 0.688 176.438 176.000 -0.417 0.000 0.979 1179 Q CA 0.324 55.968 55.803 -0.266 0.000 0.885 1179 Q CB 0.470 29.155 28.738 -0.088 0.000 1.218 1179 Q HN 0.279 nan 8.270 nan 0.000 0.405 1180 F N 0.332 120.246 119.950 -0.059 0.000 2.282 1180 F HA 0.147 4.674 4.527 -0.000 0.000 0.255 1180 F C -0.116 175.648 175.800 -0.059 0.000 0.959 1180 F CA -0.507 57.438 58.000 -0.091 0.000 1.170 1180 F CB 0.708 39.634 39.000 -0.123 0.000 1.376 1180 F HN 0.508 nan 8.300 nan 0.000 0.709 1181 E N -0.469 119.831 120.200 0.167 0.000 7.677 1181 E HA -0.270 4.080 4.350 -0.000 0.000 0.462 1181 E C -0.540 176.096 176.600 0.059 0.000 0.444 1181 E CA 0.334 56.782 56.400 0.080 0.000 0.787 1181 E CB -0.851 28.880 29.700 0.053 0.000 0.972 1181 E HN 0.556 nan 8.360 nan 0.000 0.265 1182 C N 2.721 122.041 119.300 0.033 0.000 3.097 1182 C HA 0.148 4.608 4.460 -0.000 0.000 0.335 1182 C C -0.499 174.503 174.990 0.021 0.000 1.283 1182 C CA 0.987 60.017 59.018 0.020 0.000 1.778 1182 C CB -0.779 26.962 27.740 0.002 0.000 2.365 1182 C HN 0.850 nan 8.230 nan 0.000 0.627 1183 K N 0.403 120.815 120.400 0.021 0.000 6.362 1183 K HA 0.057 4.377 4.320 -0.000 0.000 0.680 1183 K C 0.669 177.279 176.600 0.015 0.000 2.319 1183 K CA 1.106 57.404 56.287 0.018 0.000 1.675 1183 K CB -1.942 30.570 32.500 0.020 0.000 1.858 1183 K HN 1.626 nan 8.250 nan 0.000 0.286 1184 G N 0.720 109.528 108.800 0.014 0.000 2.225 1184 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.254 1184 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.254 1184 G C 1.109 176.017 174.900 0.012 0.000 0.988 1184 G CA 0.317 45.425 45.100 0.013 0.000 0.625 1184 G HN 1.112 nan 8.290 nan 0.000 0.527 1185 C N -0.222 119.085 119.300 0.011 0.000 3.123 1185 C HA 0.441 4.901 4.460 -0.000 0.000 0.399 1185 C C 1.183 176.179 174.990 0.011 0.000 1.320 1185 C CA 1.103 60.127 59.018 0.010 0.000 1.949 1185 C CB -0.270 27.473 27.740 0.005 0.000 2.692 1185 C HN 0.651 nan 8.230 nan 0.000 0.623 1186 D N 1.570 121.977 120.400 0.011 0.000 2.800 1186 D HA -0.127 4.513 4.640 -0.000 0.000 0.232 1186 D C -0.542 175.764 176.300 0.010 0.000 1.137 1186 D CA 0.538 54.545 54.000 0.011 0.000 0.718 1186 D CB -1.419 39.387 40.800 0.011 0.000 1.084 1186 D HN 0.467 nan 8.370 nan 0.000 0.432 1187 N N 0.455 119.159 118.700 0.007 0.000 2.422 1187 N HA 0.176 4.915 4.740 -0.000 0.000 0.264 1187 N C 0.993 176.511 175.510 0.013 0.000 1.063 1187 N CA 0.078 53.128 53.050 -0.000 0.000 0.959 1187 N CB 1.101 39.577 38.487 -0.017 0.000 1.087 1187 N HN 0.254 nan 8.380 nan 0.000 0.483 1188 K N 1.883 122.292 120.400 0.016 0.000 2.464 1188 K HA 0.280 4.600 4.320 -0.000 0.000 0.206 1188 K C 0.965 177.590 176.600 0.041 0.000 1.186 1188 K CA 0.215 56.528 56.287 0.043 0.000 0.990 1188 K CB 0.866 33.386 32.500 0.032 0.000 1.003 1188 K HN 0.384 nan 8.250 nan 0.000 0.562 1189 I N 0.021 120.589 120.570 -0.002 0.000 3.132 1189 I HA 0.021 4.190 4.170 -0.000 0.000 0.255 1189 I C 0.566 176.620 176.117 -0.106 0.000 1.118 1189 I CA 0.087 61.370 61.300 -0.029 0.000 1.463 1189 I CB 0.176 38.161 38.000 -0.025 0.000 1.356 1189 I HN -0.131 nan 8.210 nan 0.000 0.463 1190 D N 2.445 122.783 120.400 -0.104 0.000 2.455 1190 D HA 0.377 5.016 4.640 -0.000 0.000 0.234 1190 D C -0.752 175.411 176.300 -0.229 0.000 1.224 1190 D CA 0.446 54.348 54.000 -0.163 0.000 0.999 1190 D CB -0.200 40.576 40.800 -0.040 0.000 1.072 1190 D HN 0.094 nan 8.370 nan 0.000 0.514 1191 I N 2.929 123.233 120.570 -0.443 0.000 2.656 1191 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 1191 I C -0.976 174.743 176.117 -0.663 0.000 1.144 1191 I CA -0.865 60.167 61.300 -0.447 0.000 1.038 1191 I CB 1.702 39.411 38.000 -0.485 0.000 1.244 1191 I HN 0.089 nan 8.210 nan 0.000 0.420 1192 Y N 3.434 123.613 120.300 -0.201 0.000 2.509 1192 Y HA 0.542 5.092 4.550 -0.000 0.000 0.341 1192 Y C -0.083 175.704 175.900 -0.189 0.000 1.038 1192 Y CA -0.614 57.380 58.100 -0.177 0.000 1.089 1192 Y CB 1.735 40.101 38.460 -0.157 0.000 1.241 1192 Y HN 0.420 nan 8.280 nan 0.000 0.468 1193 Q N 4.192 123.968 119.800 -0.040 0.000 2.293 1193 Q HA 0.667 5.007 4.340 -0.000 0.000 0.261 1193 Q C -1.269 174.583 176.000 -0.247 0.000 0.960 1193 Q CA -0.737 54.936 55.803 -0.217 0.000 0.882 1193 Q CB 1.537 30.149 28.738 -0.209 0.000 1.275 1193 Q HN 0.801 nan 8.270 nan 0.000 0.445 1194 I N -0.516 119.871 120.570 -0.304 0.000 3.002 1194 I HA 0.521 4.691 4.170 -0.000 0.000 0.310 1194 I C -1.176 174.770 176.117 -0.286 0.000 1.087 1194 I CA -1.108 60.022 61.300 -0.284 0.000 1.017 1194 I CB 2.277 40.190 38.000 -0.145 0.000 1.226 1194 I HN 0.526 nan 8.210 nan 0.000 0.443 1195 H N 4.824 123.838 119.070 -0.093 0.000 2.581 1195 H HA 0.677 5.233 4.556 -0.000 0.000 0.308 1195 H C -0.554 174.756 175.328 -0.031 0.000 1.040 1195 H CA -0.545 55.457 56.048 -0.076 0.000 1.231 1195 H CB 1.218 30.949 29.762 -0.050 0.000 1.396 1195 H HN 0.688 nan 8.280 nan 0.000 0.467 1196 I N 0.358 120.994 120.570 0.109 0.000 2.969 1196 I HA 0.607 4.776 4.170 -0.000 0.000 0.307 1196 I C -2.879 173.316 176.117 0.129 0.000 1.149 1196 I CA -2.911 58.450 61.300 0.101 0.000 1.008 1196 I CB 3.029 41.092 38.000 0.106 0.000 1.232 1196 I HN 0.117 nan 8.210 nan 0.000 0.435 1197 P HA 0.018 nan 4.420 nan 0.000 0.276 1197 P C -0.155 177.235 177.300 0.151 0.000 1.230 1197 P CA 0.140 63.300 63.100 0.101 0.000 0.776 1197 P CB 0.528 32.244 31.700 0.027 0.000 0.888 1198 Y N 4.477 124.837 120.300 0.099 0.000 2.193 1198 Y HA -0.274 4.276 4.550 -0.000 0.000 0.285 1198 Y C 2.393 178.288 175.900 -0.009 0.000 1.166 1198 Y CA 2.321 60.469 58.100 0.080 0.000 1.181 1198 Y CB -1.114 37.299 38.460 -0.078 0.000 0.976 1198 Y HN 0.469 nan 8.280 nan 0.000 0.520 1199 A N 0.469 123.200 122.820 -0.147 0.000 1.948 1199 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 1199 A C 2.496 179.900 177.584 -0.299 0.000 1.177 1199 A CA 2.270 54.165 52.037 -0.236 0.000 0.636 1199 A CB -1.544 17.388 19.000 -0.114 0.000 0.815 1199 A HN 0.630 nan 8.150 nan 0.000 0.449 1200 A N -0.176 122.479 122.820 -0.275 0.000 1.877 1200 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 1200 A C 2.182 179.366 177.584 -0.666 0.000 1.186 1200 A CA 2.041 53.778 52.037 -0.500 0.000 0.620 1200 A CB -0.475 18.310 19.000 -0.360 0.000 0.822 1200 A HN 0.458 nan 8.150 nan 0.000 0.443 1201 K N 0.042 120.276 120.400 -0.276 0.000 2.063 1201 K HA -0.113 4.206 4.320 -0.000 0.000 0.208 1201 K C 1.944 178.452 176.600 -0.153 0.000 1.048 1201 K CA 1.548 57.803 56.287 -0.053 0.000 0.928 1201 K CB -0.475 32.167 32.500 0.236 0.000 0.713 1201 K HN 0.517 nan 8.250 nan 0.000 0.442 1202 L N 0.821 121.824 121.223 -0.366 0.000 1.994 1202 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 1202 L C 2.727 179.484 176.870 -0.188 0.000 1.071 1202 L CA 0.969 55.621 54.840 -0.313 0.000 0.745 1202 L CB -0.529 41.271 42.059 -0.431 0.000 0.892 1202 L HN 0.217 nan 8.230 nan 0.000 0.431 1203 L N -0.270 120.801 121.223 -0.254 0.000 2.021 1203 L HA -0.290 4.050 4.340 -0.000 0.000 0.215 1203 L C 2.304 179.156 176.870 -0.030 0.000 1.074 1203 L CA 2.033 56.761 54.840 -0.186 0.000 0.760 1203 L CB -0.712 41.171 42.059 -0.294 0.000 0.889 1203 L HN 0.072 nan 8.230 nan 0.000 0.433 1204 F N -0.750 119.185 119.950 -0.026 0.000 2.102 1204 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 1204 F C 2.656 178.452 175.800 -0.006 0.000 1.105 1204 F CA 1.172 59.166 58.000 -0.010 0.000 1.239 1204 F CB -0.414 38.584 39.000 -0.003 0.000 0.991 1204 F HN 0.201 nan 8.300 nan 0.000 0.474 1205 Q N 0.404 120.311 119.800 0.178 0.000 2.084 1205 Q HA -0.227 4.112 4.340 -0.000 0.000 0.202 1205 Q C 1.961 178.000 176.000 0.065 0.000 0.978 1205 Q CA 1.718 57.582 55.803 0.102 0.000 0.844 1205 Q CB -0.265 28.516 28.738 0.071 0.000 0.898 1205 Q HN 0.521 nan 8.270 nan 0.000 0.426 1206 E N 0.399 120.621 120.200 0.037 0.000 2.150 1206 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 1206 E C 2.017 178.642 176.600 0.041 0.000 0.985 1206 E CA 0.589 57.003 56.400 0.024 0.000 0.814 1206 E CB 0.024 29.722 29.700 -0.004 0.000 0.752 1206 E HN 0.301 nan 8.360 nan 0.000 0.466 1207 L N 0.106 121.371 121.223 0.070 0.000 1.994 1207 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 1207 L C 2.517 179.421 176.870 0.057 0.000 1.071 1207 L CA 1.247 56.131 54.840 0.073 0.000 0.745 1207 L CB -0.376 41.752 42.059 0.116 0.000 0.892 1207 L HN 0.260 nan 8.230 nan 0.000 0.431 1208 M N -0.533 119.105 119.600 0.063 0.000 2.149 1208 M HA -0.215 4.264 4.480 -0.000 0.000 0.261 1208 M C 2.413 178.735 176.300 0.038 0.000 1.064 1208 M CA 1.897 57.225 55.300 0.046 0.000 1.102 1208 M CB -0.530 32.099 32.600 0.050 0.000 1.369 1208 M HN 0.312 nan 8.290 nan 0.000 0.408 1209 A N -0.133 122.711 122.820 0.039 0.000 1.978 1209 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 1209 A C 1.912 179.512 177.584 0.026 0.000 1.170 1209 A CA 1.388 53.444 52.037 0.031 0.000 0.636 1209 A CB -0.561 18.456 19.000 0.028 0.000 0.810 1209 A HN 0.518 nan 8.150 nan 0.000 0.448 1210 M N -0.647 118.970 119.600 0.028 0.000 2.626 1210 M HA 0.139 4.619 4.480 -0.000 0.000 0.262 1210 M C 0.618 176.932 176.300 0.023 0.000 1.256 1210 M CA -0.064 55.250 55.300 0.024 0.000 0.981 1210 M CB -0.144 32.471 32.600 0.024 0.000 1.492 1210 M HN 0.592 nan 8.290 nan 0.000 0.474 1211 N N 0.988 119.702 118.700 0.023 0.000 2.863 1211 N HA -0.184 4.556 4.740 -0.000 0.000 0.245 1211 N C -0.495 175.026 175.510 0.019 0.000 1.001 1211 N CA 0.631 53.693 53.050 0.020 0.000 0.901 1211 N CB -0.607 37.890 38.487 0.017 0.000 1.124 1211 N HN 0.416 nan 8.380 nan 0.000 0.582 1212 I N 1.868 122.452 120.570 0.024 0.000 2.395 1212 I HA 0.088 4.258 4.170 -0.000 0.000 0.289 1212 I C 0.858 176.986 176.117 0.018 0.000 1.023 1212 I CA -0.134 61.180 61.300 0.022 0.000 1.350 1212 I CB 1.395 39.413 38.000 0.030 0.000 1.409 1212 I HN 0.071 nan 8.210 nan 0.000 0.507 1213 T N 3.986 118.542 114.554 0.005 0.000 2.781 1213 T HA 0.418 4.768 4.350 -0.000 0.000 0.305 1213 T C -2.224 172.451 174.700 -0.042 0.000 1.001 1213 T CA -1.781 60.312 62.100 -0.012 0.000 0.950 1213 T CB 0.850 69.714 68.868 -0.007 0.000 0.955 1213 T HN 0.343 nan 8.240 nan 0.000 0.471 1214 P HA 0.254 nan 4.420 nan 0.000 0.226 1214 P C -0.222 176.904 177.300 -0.290 0.000 1.832 1214 P CA -0.658 62.311 63.100 -0.219 0.000 1.092 1214 P CB 0.161 31.648 31.700 -0.354 0.000 1.873 1215 R N 2.696 123.117 120.500 -0.132 0.000 2.421 1215 R HA 0.236 4.576 4.340 -0.000 0.000 0.305 1215 R C 0.232 176.481 176.300 -0.085 0.000 1.039 1215 R CA -0.193 55.861 56.100 -0.077 0.000 1.003 1215 R CB 0.226 30.621 30.300 0.157 0.000 0.959 1215 R HN 0.440 nan 8.270 nan 0.000 0.427 1216 L N 4.497 125.568 121.223 -0.253 0.000 2.282 1216 L HA 0.423 4.762 4.340 -0.000 0.000 0.288 1216 L C -0.467 176.184 176.870 -0.365 0.000 1.033 1216 L CA -0.771 53.934 54.840 -0.225 0.000 0.807 1216 L CB 0.347 42.251 42.059 -0.258 0.000 1.209 1216 L HN 0.391 nan 8.230 nan 0.000 0.423 1217 Y N 0.064 120.270 120.300 -0.157 0.000 2.509 1217 Y HA 0.340 4.889 4.550 -0.000 0.000 0.341 1217 Y C 1.127 176.901 175.900 -0.210 0.000 1.038 1217 Y CA -0.846 57.149 58.100 -0.175 0.000 1.089 1217 Y CB 2.147 40.517 38.460 -0.149 0.000 1.241 1217 Y HN 0.570 nan 8.280 nan 0.000 0.468 1218 T N -2.692 111.750 114.554 -0.186 0.000 3.215 1218 T HA 0.263 4.613 4.350 -0.000 0.000 0.271 1218 T C -1.033 173.552 174.700 -0.191 0.000 1.012 1218 T CA -0.461 61.472 62.100 -0.279 0.000 0.899 1218 T CB -0.901 67.612 68.868 -0.592 0.000 1.089 1218 T HN 0.554 nan 8.240 nan 0.000 0.552 1219 D N -0.231 120.114 120.400 -0.092 0.000 2.602 1219 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 1219 D C 0.928 177.197 176.300 -0.052 0.000 1.325 1219 D CA -1.022 52.937 54.000 -0.068 0.000 0.952 1219 D CB 1.361 42.125 40.800 -0.060 0.000 1.317 1219 D HN -0.168 nan 8.370 nan 0.000 0.577 1220 R N 0.893 121.365 120.500 -0.046 0.000 2.120 1220 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 1220 R C 0.577 176.848 176.300 -0.047 0.000 1.123 1220 R CA 0.882 56.956 56.100 -0.044 0.000 0.975 1220 R CB -0.444 29.839 30.300 -0.030 0.000 0.866 1220 R HN 0.596 nan 8.270 nan 0.000 0.446 1221 S N 2.735 118.413 115.700 -0.037 0.000 3.106 1221 S HA -0.023 4.447 4.470 -0.000 0.000 0.304 1221 S C 0.413 174.980 174.600 -0.054 0.000 1.118 1221 S CA -0.219 57.963 58.200 -0.030 0.000 1.403 1221 S CB -0.221 62.970 63.200 -0.016 0.000 1.555 1221 S HN 0.182 nan 8.310 nan 0.000 0.584 1222 R N 2.221 122.675 120.500 -0.076 0.000 2.502 1222 R HA -0.055 4.285 4.340 -0.000 0.000 0.292 1222 R C 0.484 176.702 176.300 -0.137 0.000 0.998 1222 R CA 0.105 56.114 56.100 -0.153 0.000 1.056 1222 R CB 0.131 30.314 30.300 -0.194 0.000 0.939 1222 R HN 0.610 nan 8.270 nan 0.000 0.411 1223 D N 4.344 124.629 120.400 -0.192 0.000 3.725 1223 D HA -0.349 4.291 4.640 -0.000 0.000 0.413 1223 D C 0.818 177.124 176.300 0.010 0.000 1.205 1223 D CA 1.925 55.842 54.000 -0.137 0.000 1.211 1223 D CB -0.735 39.923 40.800 -0.237 0.000 0.901 1223 D HN 0.525 nan 8.370 nan 0.000 0.578 1224 F N 0.000 119.919 119.950 -0.052 0.000 2.286 1224 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1224 F CA 0.000 57.978 58.000 -0.037 0.000 1.383 1224 F CB 0.000 38.978 39.000 -0.036 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574