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 2hye_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGcVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSSTAPHET SFGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQNLGET STPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NLQYDDGSGM KREATADDLI KVVEELTRIH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.915 176.300 -0.642 0.000 1.140 1 M CA 0.000 55.116 55.300 -0.306 0.000 0.988 1 M CB 0.000 32.524 32.600 -0.126 0.000 1.302 2 S N 0.748 115.789 115.700 -1.099 0.000 2.546 2 S HA 0.835 5.306 4.470 0.003 0.000 0.272 2 S C -2.052 171.724 174.600 -1.373 0.000 1.140 2 S CA -0.255 57.344 58.200 -1.002 0.000 0.920 2 S CB 1.522 64.412 63.200 -0.517 0.000 1.083 2 S HN 0.331 nan 8.310 nan 0.000 0.476 3 Y N 2.704 122.802 120.300 -0.336 0.000 2.406 3 Y HA 0.610 5.162 4.550 0.003 0.000 0.340 3 Y C 0.348 176.042 175.900 -0.343 0.000 0.975 3 Y CA -0.984 56.850 58.100 -0.444 0.000 1.056 3 Y CB 1.783 40.026 38.460 -0.361 0.000 1.210 3 Y HN 0.629 nan 8.280 nan 0.000 0.448 4 N N 0.936 119.447 118.700 -0.316 0.000 2.405 4 N HA 0.326 5.068 4.740 0.003 0.000 0.285 4 N C -2.077 173.393 175.510 -0.067 0.000 1.262 4 N CA -0.782 52.078 53.050 -0.317 0.000 0.773 4 N CB 2.967 41.009 38.487 -0.742 0.000 1.490 4 N HN 0.611 nan 8.380 nan 0.000 0.486 5 Y N 0.413 120.641 120.300 -0.120 0.000 2.391 5 Y HA 0.539 5.091 4.550 0.003 0.000 0.341 5 Y C -1.139 174.757 175.900 -0.006 0.000 0.965 5 Y CA -0.782 57.311 58.100 -0.011 0.000 1.067 5 Y CB 1.284 39.753 38.460 0.014 0.000 1.199 5 Y HN 0.172 nan 8.280 nan 0.000 0.450 6 V N 8.516 128.152 119.914 -0.463 0.000 2.419 6 V HA 0.669 4.791 4.120 0.003 0.000 0.287 6 V C -1.407 174.414 176.094 -0.456 0.000 1.017 6 V CA -0.427 61.662 62.300 -0.352 0.000 0.844 6 V CB 1.095 32.798 31.823 -0.202 0.000 1.011 6 V HN 0.729 nan 8.190 nan 0.000 0.429 7 V N 3.285 122.936 119.914 -0.438 0.000 2.881 7 V HA 0.741 4.863 4.120 0.003 0.000 0.316 7 V C 0.155 176.062 176.094 -0.311 0.000 1.070 7 V CA -0.478 61.580 62.300 -0.402 0.000 0.976 7 V CB 1.788 33.291 31.823 -0.533 0.000 1.038 7 V HN 0.692 nan 8.190 nan 0.000 0.446 8 T N 2.432 116.839 114.554 -0.244 0.000 2.806 8 T HA 0.631 4.983 4.350 0.003 0.000 0.290 8 T C 0.843 175.431 174.700 -0.187 0.000 0.966 8 T CA 0.404 62.404 62.100 -0.168 0.000 1.060 8 T CB 1.523 70.368 68.868 -0.039 0.000 0.927 8 T HN 1.172 nan 8.240 nan 0.000 0.485 9 A N 2.846 125.594 122.820 -0.120 0.000 2.343 9 A HA 0.302 4.623 4.320 0.003 0.000 0.223 9 A C 0.682 178.301 177.584 0.057 0.000 1.214 9 A CA 0.204 52.280 52.037 0.065 0.000 0.900 9 A CB 0.404 19.426 19.000 0.036 0.000 0.942 9 A HN 0.565 nan 8.150 nan 0.000 0.507 10 Q N 0.406 120.206 119.800 0.000 0.000 2.331 10 Q HA 0.244 4.586 4.340 0.003 0.000 0.249 10 Q C -1.443 174.565 176.000 0.014 0.000 0.913 10 Q CA -0.198 55.612 55.803 0.012 0.000 0.874 10 Q CB 1.571 30.307 28.738 -0.003 0.000 1.384 10 Q HN 0.450 nan 8.270 nan 0.000 0.427 11 K N 2.412 122.828 120.400 0.027 0.000 2.397 11 K HA 0.160 4.482 4.320 0.003 0.000 0.265 11 K C -2.310 174.305 176.600 0.025 0.000 0.982 11 K CA -1.006 55.298 56.287 0.028 0.000 0.931 11 K CB 0.045 32.560 32.500 0.026 0.000 0.943 11 K HN 0.208 nan 8.250 nan 0.000 0.501 12 P HA -0.038 nan 4.420 nan 0.000 0.271 12 P C 0.207 177.515 177.300 0.014 0.000 1.220 12 P CA 0.146 63.260 63.100 0.023 0.000 0.768 12 P CB 0.980 32.693 31.700 0.022 0.000 0.848 13 T N 0.312 114.874 114.554 0.013 0.000 3.040 13 T HA 0.209 4.561 4.350 0.003 0.000 0.252 13 T C 0.882 175.587 174.700 0.009 0.000 1.064 13 T CA 0.044 62.152 62.100 0.013 0.000 1.110 13 T CB -0.258 68.618 68.868 0.014 0.000 0.921 13 T HN 0.344 nan 8.240 nan 0.000 0.480 14 A N 1.545 124.366 122.820 0.002 0.000 2.498 14 A HA 0.511 4.832 4.320 0.003 0.000 0.239 14 A C 0.159 177.738 177.584 -0.008 0.000 1.068 14 A CA -0.342 51.691 52.037 -0.007 0.000 0.766 14 A CB 0.073 19.065 19.000 -0.013 0.000 1.003 14 A HN 0.423 nan 8.150 nan 0.000 0.497 15 V N 4.580 124.487 119.914 -0.010 0.000 2.270 15 V HA 0.088 4.209 4.120 0.003 0.000 0.263 15 V C 0.655 176.738 176.094 -0.018 0.000 1.066 15 V CA -0.619 61.681 62.300 0.001 0.000 0.857 15 V CB 0.163 32.008 31.823 0.037 0.000 1.099 15 V HN 0.934 nan 8.190 nan 0.000 0.476 16 N N 3.345 122.027 118.700 -0.029 0.000 2.272 16 N HA -0.024 4.718 4.740 0.003 0.000 0.185 16 N C 0.843 176.328 175.510 -0.042 0.000 1.014 16 N CA 1.225 54.249 53.050 -0.044 0.000 0.870 16 N CB 0.332 38.784 38.487 -0.058 0.000 0.975 16 N HN 0.796 nan 8.380 nan 0.000 0.433 17 G N -1.191 107.594 108.800 -0.026 0.000 2.547 17 G HA2 0.469 4.431 3.960 0.003 0.000 0.291 17 G HA3 0.469 4.431 3.960 0.003 0.000 0.291 17 G C -1.687 173.219 174.900 0.011 0.000 1.471 17 G CA -0.470 44.617 45.100 -0.021 0.000 0.798 17 G HN 0.305 nan 8.290 nan 0.000 0.504 18 c N -0.853 117.761 118.600 0.023 0.000 2.891 18 c HA 0.886 5.458 4.570 0.003 0.000 0.342 18 c C -0.898 173.199 174.090 0.011 0.000 1.126 18 c CA -0.912 55.444 56.329 0.046 0.000 1.322 18 c CB 0.881 43.522 42.510 0.218 0.000 1.763 18 c HN 1.543 nan 8.230 nan 0.000 0.491 19 V N 2.039 121.935 119.914 -0.030 0.000 2.925 19 V HA 0.870 4.992 4.120 0.003 0.000 0.311 19 V C -0.259 175.809 176.094 -0.044 0.000 1.104 19 V CA 0.428 62.710 62.300 -0.029 0.000 0.954 19 V CB 2.350 34.147 31.823 -0.044 0.000 1.022 19 V HN 1.320 nan 8.190 nan 0.000 0.427 20 T N 3.284 117.827 114.554 -0.019 0.000 2.940 20 T HA 0.950 5.302 4.350 0.003 0.000 0.288 20 T C -0.123 174.574 174.700 -0.004 0.000 1.033 20 T CA 0.472 62.550 62.100 -0.036 0.000 1.033 20 T CB 1.248 70.095 68.868 -0.034 0.000 1.079 20 T HN 1.996 nan 8.240 nan 0.000 0.496 21 G N 1.668 110.444 108.800 -0.040 0.000 2.345 21 G HA2 0.250 4.212 3.960 0.003 0.000 0.285 21 G HA3 0.250 4.212 3.960 0.003 0.000 0.285 21 G C -1.869 172.987 174.900 -0.074 0.000 1.297 21 G CA -0.825 44.301 45.100 0.044 0.000 0.875 21 G HN 0.789 nan 8.290 nan 0.000 0.506 22 H N 0.454 119.564 119.070 0.068 0.000 2.556 22 H HA 0.484 5.042 4.556 0.003 0.000 0.240 22 H C 0.419 175.813 175.328 0.110 0.000 1.543 22 H CA -0.592 55.492 56.048 0.060 0.000 1.287 22 H CB 0.576 30.360 29.762 0.037 0.000 1.529 22 H HN 0.366 nan 8.280 nan 0.000 0.553 23 F N 0.905 120.839 119.950 -0.027 0.000 2.262 23 F HA -0.041 4.488 4.527 0.003 0.000 0.292 23 F C 1.882 177.635 175.800 -0.078 0.000 1.081 23 F CA 0.974 58.941 58.000 -0.055 0.000 1.355 23 F CB 0.080 39.009 39.000 -0.118 0.000 1.069 23 F HN 0.278 nan 8.300 nan 0.000 0.506 24 T N -0.819 113.593 114.554 -0.237 0.000 2.777 24 T HA -0.023 4.328 4.350 0.003 0.000 0.266 24 T C 0.724 175.430 174.700 0.009 0.000 1.040 24 T CA 1.377 63.286 62.100 -0.318 0.000 1.141 24 T CB -0.377 68.282 68.868 -0.349 0.000 0.868 24 T HN 0.228 nan 8.240 nan 0.000 0.444 25 S N -1.789 113.919 115.700 0.013 0.000 2.567 25 S HA 0.613 5.085 4.470 0.003 0.000 0.270 25 S C 0.756 175.415 174.600 0.098 0.000 1.152 25 S CA -0.124 58.105 58.200 0.048 0.000 0.835 25 S CB 1.015 64.242 63.200 0.045 0.000 1.115 25 S HN 0.123 nan 8.310 nan 0.000 0.459 26 A N 1.570 124.433 122.820 0.072 0.000 2.019 26 A HA 0.038 4.360 4.320 0.003 0.000 0.219 26 A C 1.092 178.759 177.584 0.139 0.000 1.164 26 A CA 1.936 54.015 52.037 0.070 0.000 0.644 26 A CB -0.677 18.326 19.000 0.005 0.000 0.805 26 A HN 0.848 nan 8.150 nan 0.000 0.449 27 E N 0.539 120.814 120.200 0.125 0.000 2.451 27 E HA 0.190 4.542 4.350 0.003 0.000 0.194 27 E C -0.852 175.825 176.600 0.128 0.000 1.027 27 E CA -0.135 56.344 56.400 0.131 0.000 0.914 27 E CB 0.313 30.051 29.700 0.063 0.000 1.054 27 E HN 0.403 nan 8.360 nan 0.000 0.461 28 D N 0.763 121.238 120.400 0.126 0.000 2.362 28 D HA 0.228 4.870 4.640 0.003 0.000 0.247 28 D C -0.937 175.240 176.300 -0.206 0.000 1.050 28 D CA -0.796 53.197 54.000 -0.013 0.000 0.839 28 D CB 2.260 43.044 40.800 -0.027 0.000 1.283 28 D HN 0.014 nan 8.370 nan 0.000 0.477 29 L N 3.245 124.329 121.223 -0.231 0.000 2.260 29 L HA 0.287 4.629 4.340 0.003 0.000 0.289 29 L C -0.314 176.416 176.870 -0.234 0.000 1.057 29 L CA -0.202 54.425 54.840 -0.356 0.000 0.811 29 L CB 0.217 42.138 42.059 -0.231 0.000 1.184 29 L HN 0.178 nan 8.230 nan 0.000 0.429 30 N N 4.273 122.830 118.700 -0.239 0.000 2.477 30 N HA 0.536 5.278 4.740 0.003 0.000 0.284 30 N C -1.453 173.981 175.510 -0.127 0.000 1.182 30 N CA -0.510 52.454 53.050 -0.144 0.000 0.949 30 N CB 2.188 40.621 38.487 -0.090 0.000 1.204 30 N HN 0.463 nan 8.380 nan 0.000 0.526 31 L N 1.769 122.928 121.223 -0.106 0.000 2.457 31 L HA 0.457 4.799 4.340 0.003 0.000 0.266 31 L C -1.479 175.330 176.870 -0.102 0.000 0.979 31 L CA -0.254 54.509 54.840 -0.129 0.000 0.857 31 L CB 0.819 42.758 42.059 -0.200 0.000 1.213 31 L HN 0.357 nan 8.230 nan 0.000 0.418 32 L N 5.919 127.069 121.223 -0.121 0.000 2.275 32 L HA 0.546 4.888 4.340 0.003 0.000 0.288 32 L C -0.477 176.329 176.870 -0.107 0.000 1.046 32 L CA -0.395 54.365 54.840 -0.134 0.000 0.805 32 L CB 1.495 43.427 42.059 -0.211 0.000 1.193 32 L HN 0.516 nan 8.230 nan 0.000 0.426 33 I N 2.752 123.275 120.570 -0.079 0.000 2.436 33 I HA 0.461 4.633 4.170 0.003 0.000 0.289 33 I C 0.013 176.098 176.117 -0.053 0.000 1.010 33 I CA -0.487 60.782 61.300 -0.051 0.000 1.098 33 I CB 2.124 40.100 38.000 -0.041 0.000 1.266 33 I HN 0.638 nan 8.210 nan 0.000 0.434 34 A N 5.753 128.543 122.820 -0.050 0.000 2.260 34 A HA 0.480 4.802 4.320 0.003 0.000 0.308 34 A C 0.333 177.890 177.584 -0.044 0.000 1.254 34 A CA -0.406 51.591 52.037 -0.066 0.000 0.874 34 A CB 1.020 19.970 19.000 -0.084 0.000 1.153 34 A HN 0.738 nan 8.150 nan 0.000 0.527 35 K N 1.185 121.557 120.400 -0.045 0.000 2.108 35 K HA 0.121 4.442 4.320 0.003 0.000 0.204 35 K C 1.221 177.797 176.600 -0.040 0.000 1.036 35 K CA 1.875 58.145 56.287 -0.030 0.000 0.965 35 K CB 0.105 32.593 32.500 -0.020 0.000 0.804 35 K HN 0.819 nan 8.250 nan 0.000 0.454 36 N N -3.068 115.601 118.700 -0.052 0.000 2.609 36 N HA -0.089 4.653 4.740 0.003 0.000 0.353 36 N C 0.547 176.011 175.510 -0.078 0.000 0.565 36 N CA 1.305 54.319 53.050 -0.059 0.000 1.543 36 N CB -0.201 38.266 38.487 -0.034 0.000 1.565 36 N HN 0.063 nan 8.380 nan 0.000 1.799 37 T N -1.146 113.375 114.554 -0.054 0.000 3.022 37 T HA 0.459 4.811 4.350 0.003 0.000 0.250 37 T C 0.385 175.015 174.700 -0.116 0.000 1.060 37 T CA -0.041 61.999 62.100 -0.100 0.000 1.013 37 T CB 0.298 69.166 68.868 -0.000 0.000 0.982 37 T HN 0.020 nan 8.240 nan 0.000 0.508 38 R N 0.972 121.425 120.500 -0.079 0.000 2.598 38 R HA 0.710 5.052 4.340 0.003 0.000 0.279 38 R C -1.223 175.023 176.300 -0.089 0.000 0.984 38 R CA -1.196 54.856 56.100 -0.080 0.000 0.999 38 R CB 1.450 31.721 30.300 -0.048 0.000 1.114 38 R HN 0.216 nan 8.270 nan 0.000 0.493 39 L N 0.885 122.051 121.223 -0.096 0.000 2.372 39 L HA 0.414 4.756 4.340 0.003 0.000 0.274 39 L C -0.741 176.066 176.870 -0.104 0.000 0.988 39 L CA -0.143 54.635 54.840 -0.102 0.000 0.833 39 L CB 1.664 43.654 42.059 -0.114 0.000 1.236 39 L HN 0.558 nan 8.230 nan 0.000 0.410 40 E N 5.299 125.439 120.200 -0.100 0.000 2.151 40 E HA 0.537 4.889 4.350 0.003 0.000 0.275 40 E C -1.079 175.398 176.600 -0.205 0.000 0.936 40 E CA -0.356 55.947 56.400 -0.161 0.000 0.777 40 E CB 1.847 31.537 29.700 -0.017 0.000 1.108 40 E HN 0.555 nan 8.360 nan 0.000 0.401 41 I N 3.991 124.348 120.570 -0.354 0.000 2.362 41 I HA 0.320 4.492 4.170 0.003 0.000 0.289 41 I C -0.843 174.987 176.117 -0.478 0.000 0.994 41 I CA -0.568 60.560 61.300 -0.287 0.000 1.158 41 I CB 0.538 38.424 38.000 -0.190 0.000 1.315 41 I HN 0.474 nan 8.210 nan 0.000 0.451 42 Y N 4.664 124.856 120.300 -0.180 0.000 2.675 42 Y HA 0.740 5.292 4.550 0.003 0.000 0.328 42 Y C -0.128 175.676 175.900 -0.161 0.000 1.092 42 Y CA -0.962 57.035 58.100 -0.171 0.000 1.190 42 Y CB 1.806 40.135 38.460 -0.220 0.000 1.350 42 Y HN 0.097 nan 8.280 nan 0.000 0.525 43 V N 1.533 121.471 119.914 0.039 0.000 2.686 43 V HA 0.330 4.452 4.120 0.003 0.000 0.306 43 V C -0.666 175.415 176.094 -0.022 0.000 1.065 43 V CA -1.113 61.170 62.300 -0.029 0.000 0.894 43 V CB 1.640 33.438 31.823 -0.041 0.000 1.004 43 V HN 0.514 nan 8.190 nan 0.000 0.424 44 V N 4.295 124.173 119.914 -0.059 0.000 2.963 44 V HA 0.352 4.473 4.120 0.003 0.000 0.306 44 V C 1.223 177.295 176.094 -0.037 0.000 1.077 44 V CA 1.230 63.494 62.300 -0.060 0.000 1.124 44 V CB 1.224 32.993 31.823 -0.090 0.000 0.987 44 V HN 1.196 nan 8.190 nan 0.000 0.487 45 T N -0.401 114.138 114.554 -0.025 0.000 3.636 45 T HA 0.583 4.935 4.350 0.003 0.000 0.279 45 T C 0.497 175.192 174.700 -0.009 0.000 0.977 45 T CA 0.995 63.088 62.100 -0.012 0.000 1.139 45 T CB 0.611 69.479 68.868 -0.000 0.000 1.147 45 T HN 1.107 nan 8.240 nan 0.000 0.442 46 A N 0.859 123.675 122.820 -0.007 0.000 2.597 46 A HA 0.425 4.746 4.320 0.003 0.000 0.117 46 A C 1.490 179.073 177.584 -0.001 0.000 1.465 46 A CA 0.756 52.791 52.037 -0.003 0.000 2.326 46 A CB -0.926 18.075 19.000 0.002 0.000 2.358 46 A HN 0.274 nan 8.150 nan 0.000 1.040 47 E N 0.276 120.478 120.200 0.004 0.000 2.150 47 E HA 0.202 4.554 4.350 0.003 0.000 0.193 47 E C 1.028 177.634 176.600 0.010 0.000 0.985 47 E CA 1.315 57.719 56.400 0.006 0.000 0.814 47 E CB -0.005 29.700 29.700 0.008 0.000 0.752 47 E HN 0.701 nan 8.360 nan 0.000 0.466 48 G N -0.396 108.412 108.800 0.014 0.000 2.894 48 G HA2 0.355 4.317 3.960 0.003 0.000 0.164 48 G HA3 0.355 4.317 3.960 0.003 0.000 0.164 48 G C -1.519 173.385 174.900 0.007 0.000 1.180 48 G CA -0.640 44.474 45.100 0.023 0.000 0.997 48 G HN 0.017 nan 8.290 nan 0.000 0.572 49 L N 0.811 122.042 121.223 0.014 0.000 2.362 49 L HA 0.626 4.968 4.340 0.003 0.000 0.275 49 L C -0.061 176.899 176.870 0.151 0.000 0.998 49 L CA -0.652 54.200 54.840 0.020 0.000 0.820 49 L CB 1.449 43.388 42.059 -0.200 0.000 1.270 49 L HN 0.687 nan 8.230 nan 0.000 0.415 50 R N 4.104 124.687 120.500 0.139 0.000 2.207 50 R HA 0.458 4.800 4.340 0.003 0.000 0.334 50 R C -2.419 173.927 176.300 0.077 0.000 1.013 50 R CA -1.439 54.724 56.100 0.106 0.000 0.858 50 R CB 1.255 31.579 30.300 0.041 0.000 1.094 50 R HN 0.301 nan 8.270 nan 0.000 0.457 51 P HA -0.069 nan 4.420 nan 0.000 0.266 51 P C 0.226 177.434 177.300 -0.153 0.000 1.215 51 P CA -0.062 62.909 63.100 -0.216 0.000 0.763 51 P CB 1.154 32.781 31.700 -0.122 0.000 0.806 52 V N 0.910 120.702 119.914 -0.204 0.000 2.911 52 V HA 0.397 4.518 4.120 0.003 0.000 0.237 52 V C 0.421 176.486 176.094 -0.049 0.000 1.156 52 V CA 0.890 63.138 62.300 -0.086 0.000 1.180 52 V CB -0.513 31.261 31.823 -0.081 0.000 0.932 52 V HN 0.302 nan 8.190 nan 0.000 0.483 53 K N 0.248 120.585 120.400 -0.104 0.000 2.546 53 K HA 0.530 4.852 4.320 0.003 0.000 0.264 53 K C -1.625 174.903 176.600 -0.120 0.000 0.937 53 K CA -0.307 55.956 56.287 -0.040 0.000 0.833 53 K CB 2.132 34.709 32.500 0.128 0.000 1.378 53 K HN 0.286 nan 8.250 nan 0.000 0.432 54 E N 3.900 124.045 120.200 -0.092 0.000 2.409 54 E HA 0.307 4.659 4.350 0.003 0.000 0.259 54 E C -1.176 175.384 176.600 -0.068 0.000 0.932 54 E CA -0.620 55.715 56.400 -0.108 0.000 0.809 54 E CB 1.161 30.785 29.700 -0.127 0.000 1.341 54 E HN 0.507 nan 8.360 nan 0.000 0.405 55 V N 0.752 120.628 119.914 -0.064 0.000 2.966 55 V HA 0.944 5.066 4.120 0.003 0.000 0.317 55 V C 0.492 176.524 176.094 -0.102 0.000 1.070 55 V CA -0.665 61.593 62.300 -0.071 0.000 1.008 55 V CB 1.775 33.564 31.823 -0.057 0.000 1.070 55 V HN 0.539 nan 8.190 nan 0.000 0.457 56 G N 2.745 111.461 108.800 -0.139 0.000 2.487 56 G HA2 0.583 4.545 3.960 0.003 0.000 0.314 56 G HA3 0.583 4.545 3.960 0.003 0.000 0.314 56 G C -0.499 174.222 174.900 -0.299 0.000 1.267 56 G CA -0.865 44.127 45.100 -0.180 0.000 0.937 56 G HN 0.553 nan 8.290 nan 0.000 0.481 57 M N 1.074 120.497 119.600 -0.294 0.000 2.227 57 M HA 0.247 4.729 4.480 0.003 0.000 0.316 57 M C -0.638 175.329 176.300 -0.554 0.000 1.144 57 M CA -0.390 54.691 55.300 -0.366 0.000 1.121 57 M CB 1.232 33.660 32.600 -0.287 0.000 1.440 57 M HN 0.495 nan 8.290 nan 0.000 0.473 58 Y N 0.668 120.648 120.300 -0.533 0.000 2.827 58 Y HA 0.508 5.060 4.550 0.003 0.000 0.373 58 Y C 0.768 175.770 175.900 -1.498 0.000 1.198 58 Y CA -0.308 57.171 58.100 -1.035 0.000 1.589 58 Y CB -0.105 38.105 38.460 -0.416 0.000 1.682 58 Y HN 0.769 nan 8.280 nan 0.000 0.506 59 G N 0.169 107.983 108.800 -1.643 0.000 2.313 59 G HA2 0.221 4.182 3.960 0.003 0.000 0.296 59 G HA3 0.221 4.182 3.960 0.003 0.000 0.296 59 G C -1.611 172.938 174.900 -0.585 0.000 1.356 59 G CA -1.246 43.141 45.100 -1.188 0.000 0.833 59 G HN -0.035 nan 8.290 nan 0.000 0.552 60 K N 1.490 121.787 120.400 -0.171 0.000 2.264 60 K HA 0.309 4.631 4.320 0.003 0.000 0.277 60 K C 0.214 176.726 176.600 -0.146 0.000 1.067 60 K CA -0.756 55.468 56.287 -0.105 0.000 0.900 60 K CB 1.635 34.107 32.500 -0.047 0.000 1.124 60 K HN 0.339 nan 8.250 nan 0.000 0.469 61 I N 3.163 123.636 120.570 -0.161 0.000 3.022 61 I HA -0.159 4.013 4.170 0.003 0.000 0.290 61 I C 1.358 177.382 176.117 -0.155 0.000 1.212 61 I CA 0.665 61.864 61.300 -0.167 0.000 1.377 61 I CB -0.842 37.066 38.000 -0.153 0.000 1.417 61 I HN 0.740 nan 8.210 nan 0.000 0.540 62 A N 6.756 129.472 122.820 -0.174 0.000 2.014 62 A HA 0.336 4.658 4.320 0.003 0.000 0.210 62 A C 0.807 178.297 177.584 -0.156 0.000 1.188 62 A CA 0.424 52.366 52.037 -0.159 0.000 0.731 62 A CB 0.519 19.408 19.000 -0.185 0.000 0.858 62 A HN 0.454 nan 8.150 nan 0.000 0.464 63 V N -0.343 119.445 119.914 -0.210 0.000 2.925 63 V HA 0.600 4.722 4.120 0.003 0.000 0.311 63 V C -0.713 175.213 176.094 -0.280 0.000 1.104 63 V CA -0.317 61.853 62.300 -0.217 0.000 0.954 63 V CB 1.802 33.481 31.823 -0.239 0.000 1.022 63 V HN 0.478 nan 8.190 nan 0.000 0.427 64 M N 3.945 123.426 119.600 -0.198 0.000 2.295 64 M HA 0.481 4.963 4.480 0.003 0.000 0.219 64 M C -1.843 174.399 176.300 -0.097 0.000 0.981 64 M CA -0.131 55.058 55.300 -0.185 0.000 1.019 64 M CB 1.181 33.682 32.600 -0.164 0.000 2.528 64 M HN 0.696 nan 8.290 nan 0.000 0.445 65 E N 3.644 123.819 120.200 -0.041 0.000 2.359 65 E HA 0.673 5.025 4.350 0.003 0.000 0.266 65 E C -1.399 175.268 176.600 0.111 0.000 0.920 65 E CA -0.705 55.717 56.400 0.037 0.000 0.788 65 E CB 3.059 32.799 29.700 0.067 0.000 1.279 65 E HN 0.693 nan 8.360 nan 0.000 0.438 66 L N 1.360 122.671 121.223 0.147 0.000 2.319 66 L HA 0.647 4.989 4.340 0.003 0.000 0.267 66 L C -0.540 176.580 176.870 0.416 0.000 1.011 66 L CA -1.020 53.978 54.840 0.264 0.000 0.818 66 L CB 1.133 43.275 42.059 0.138 0.000 1.316 66 L HN 0.541 nan 8.230 nan 0.000 0.432 67 F N -0.258 119.735 119.950 0.072 0.000 2.641 67 F HA 0.646 5.175 4.527 0.003 0.000 0.308 67 F C -0.679 175.159 175.800 0.064 0.000 1.105 67 F CA -1.225 56.807 58.000 0.052 0.000 0.964 67 F CB 1.717 40.722 39.000 0.008 0.000 1.294 67 F HN 0.280 nan 8.300 nan 0.000 0.442 68 R N 3.121 123.681 120.500 0.100 0.000 2.575 68 R HA 0.529 4.870 4.340 0.003 0.000 0.281 68 R C -3.079 173.217 176.300 -0.006 0.000 1.272 68 R CA -1.674 54.421 56.100 -0.009 0.000 1.417 68 R CB 0.334 30.654 30.300 0.032 0.000 1.121 68 R HN 0.405 nan 8.270 nan 0.000 0.583 69 P HA 0.185 nan 4.420 nan 0.000 0.287 69 P C -1.056 176.227 177.300 -0.029 0.000 1.281 69 P CA -0.514 62.574 63.100 -0.020 0.000 0.781 69 P CB 0.982 32.656 31.700 -0.044 0.000 0.903 70 K N 2.114 122.513 120.400 -0.003 0.000 2.472 70 K HA 0.309 4.630 4.320 0.003 0.000 0.280 70 K C 1.213 177.804 176.600 -0.015 0.000 1.028 70 K CA 0.975 57.258 56.287 -0.007 0.000 1.045 70 K CB -0.177 32.326 32.500 0.005 0.000 0.902 70 K HN 0.807 nan 8.250 nan 0.000 0.478 71 G N 2.392 111.179 108.800 -0.022 0.000 3.033 71 G HA2 -0.158 3.804 3.960 0.003 0.000 0.196 71 G HA3 -0.158 3.804 3.960 0.003 0.000 0.196 71 G C -0.547 174.333 174.900 -0.034 0.000 1.078 71 G CA -0.644 44.442 45.100 -0.023 0.000 0.805 71 G HN 0.509 nan 8.290 nan 0.000 0.472 72 E N 1.773 121.943 120.200 -0.049 0.000 2.249 72 E HA 0.481 4.833 4.350 0.003 0.000 0.280 72 E C 1.446 178.015 176.600 -0.053 0.000 1.016 72 E CA 0.249 56.612 56.400 -0.060 0.000 0.830 72 E CB 1.655 31.299 29.700 -0.094 0.000 1.081 72 E HN 0.425 nan 8.360 nan 0.000 0.395 73 S N 2.776 118.449 115.700 -0.045 0.000 2.382 73 S HA -0.171 4.300 4.470 0.003 0.000 0.228 73 S C 0.912 175.490 174.600 -0.037 0.000 1.027 73 S CA 1.080 59.257 58.200 -0.037 0.000 0.991 73 S CB -0.174 63.007 63.200 -0.032 0.000 0.823 73 S HN 0.568 nan 8.310 nan 0.000 0.469 74 K N 0.191 120.567 120.400 -0.039 0.000 2.208 74 K HA 0.522 4.844 4.320 0.003 0.000 0.241 74 K C -1.620 174.965 176.600 -0.025 0.000 1.087 74 K CA -0.987 55.289 56.287 -0.018 0.000 0.883 74 K CB 0.345 32.843 32.500 -0.002 0.000 1.360 74 K HN -0.156 nan 8.250 nan 0.000 0.496 75 D N 0.362 120.788 120.400 0.043 0.000 2.357 75 D HA 0.329 4.970 4.640 0.003 0.000 0.242 75 D C -0.286 176.077 176.300 0.105 0.000 1.153 75 D CA -0.071 53.969 54.000 0.067 0.000 0.918 75 D CB 0.667 41.585 40.800 0.197 0.000 1.181 75 D HN 0.316 nan 8.370 nan 0.000 0.435 76 L N 0.658 121.864 121.223 -0.027 0.000 2.341 76 L HA 0.432 4.774 4.340 0.003 0.000 0.267 76 L C -0.887 176.140 176.870 0.261 0.000 1.009 76 L CA -1.166 53.707 54.840 0.054 0.000 0.819 76 L CB 1.926 43.736 42.059 -0.415 0.000 1.323 76 L HN 0.100 nan 8.230 nan 0.000 0.425 77 L N 1.983 123.403 121.223 0.328 0.000 2.280 77 L HA 0.486 4.827 4.340 0.003 0.000 0.287 77 L C -1.076 175.981 176.870 0.312 0.000 1.023 77 L CA -0.028 54.893 54.840 0.136 0.000 0.819 77 L CB 1.060 42.930 42.059 -0.316 0.000 1.212 77 L HN 0.315 nan 8.230 nan 0.000 0.420 78 F N 6.771 126.804 119.950 0.139 0.000 2.415 78 F HA 0.642 5.171 4.527 0.003 0.000 0.348 78 F C -0.774 175.018 175.800 -0.013 0.000 1.119 78 F CA -1.162 56.874 58.000 0.060 0.000 1.069 78 F CB 0.721 39.682 39.000 -0.066 0.000 1.124 78 F HN 0.335 nan 8.300 nan 0.000 0.472 79 I N 7.560 127.794 120.570 -0.560 0.000 2.478 79 I HA 0.266 4.438 4.170 0.003 0.000 0.287 79 I C -1.659 174.063 176.117 -0.659 0.000 1.042 79 I CA -1.055 59.898 61.300 -0.578 0.000 1.067 79 I CB 2.008 39.854 38.000 -0.256 0.000 1.233 79 I HN 0.440 nan 8.210 nan 0.000 0.431 80 L N 7.255 128.081 121.223 -0.662 0.000 2.298 80 L HA 0.522 4.864 4.340 0.003 0.000 0.284 80 L C 0.183 176.913 176.870 -0.232 0.000 1.013 80 L CA 0.242 54.855 54.840 -0.378 0.000 0.824 80 L CB 1.407 43.269 42.059 -0.329 0.000 1.221 80 L HN 0.515 nan 8.230 nan 0.000 0.418 81 T N 3.265 117.732 114.554 -0.145 0.000 2.701 81 T HA 0.257 4.609 4.350 0.003 0.000 0.303 81 T C 1.351 175.938 174.700 -0.188 0.000 1.030 81 T CA 0.333 62.353 62.100 -0.133 0.000 1.010 81 T CB 0.862 69.701 68.868 -0.047 0.000 1.007 81 T HN 0.766 nan 8.240 nan 0.000 0.532 82 A N 0.232 122.955 122.820 -0.162 0.000 2.119 82 A HA 0.069 4.391 4.320 0.003 0.000 0.216 82 A C 1.670 179.059 177.584 -0.325 0.000 1.152 82 A CA 0.840 52.736 52.037 -0.235 0.000 0.708 82 A CB -0.190 18.760 19.000 -0.084 0.000 0.805 82 A HN 0.683 nan 8.150 nan 0.000 0.460 83 K N -0.580 119.753 120.400 -0.112 0.000 2.577 83 K HA 0.229 4.551 4.320 0.003 0.000 0.210 83 K C -1.093 175.650 176.600 0.239 0.000 1.048 83 K CA -0.432 55.883 56.287 0.048 0.000 1.188 83 K CB -0.173 32.340 32.500 0.023 0.000 0.910 83 K HN 0.469 nan 8.250 nan 0.000 0.483 84 Y N -0.596 119.780 120.300 0.127 0.000 3.125 84 Y HA -0.303 4.249 4.550 0.003 0.000 0.200 84 Y C -0.560 175.423 175.900 0.138 0.000 1.373 84 Y CA 0.099 58.273 58.100 0.123 0.000 1.180 84 Y CB -2.668 35.878 38.460 0.142 0.000 1.381 84 Y HN 0.266 nan 8.280 nan 0.000 0.501 85 N N 0.894 119.701 118.700 0.178 0.000 2.501 85 N HA 0.647 5.389 4.740 0.003 0.000 0.245 85 N C 0.019 175.596 175.510 0.112 0.000 0.974 85 N CA -0.015 53.133 53.050 0.162 0.000 0.941 85 N CB 0.778 39.372 38.487 0.178 0.000 1.122 85 N HN 0.439 nan 8.380 nan 0.000 0.507 86 A N 1.700 124.618 122.820 0.164 0.000 2.252 86 A HA 0.827 5.149 4.320 0.003 0.000 0.305 86 A C 0.032 177.781 177.584 0.274 0.000 1.097 86 A CA -0.462 51.727 52.037 0.253 0.000 0.849 86 A CB 0.465 19.686 19.000 0.367 0.000 1.142 86 A HN 0.891 nan 8.150 nan 0.000 0.499 87 C N -0.793 118.764 119.300 0.429 0.000 2.969 87 C HA 0.565 5.027 4.460 0.003 0.000 0.338 87 C C -1.427 173.831 174.990 0.448 0.000 1.217 87 C CA -0.946 58.280 59.018 0.348 0.000 1.146 87 C CB -0.701 27.175 27.740 0.227 0.000 1.366 87 C HN 0.880 nan 8.230 nan 0.000 0.488 88 I N 1.734 122.505 120.570 0.335 0.000 2.646 88 I HA 0.750 4.921 4.170 0.003 0.000 0.299 88 I C -0.584 175.684 176.117 0.252 0.000 1.036 88 I CA -0.802 60.710 61.300 0.352 0.000 1.074 88 I CB 1.855 40.061 38.000 0.344 0.000 1.258 88 I HN 0.663 nan 8.210 nan 0.000 0.430 89 L N 3.978 125.364 121.223 0.272 0.000 2.371 89 L HA 0.602 4.944 4.340 0.003 0.000 0.262 89 L C -0.612 176.460 176.870 0.337 0.000 1.006 89 L CA -0.632 54.368 54.840 0.267 0.000 0.818 89 L CB 2.509 44.733 42.059 0.276 0.000 1.354 89 L HN 0.564 nan 8.230 nan 0.000 0.415 90 E N 0.440 120.762 120.200 0.204 0.000 2.277 90 E HA 0.303 4.655 4.350 0.003 0.000 0.266 90 E C -1.953 174.602 176.600 -0.075 0.000 0.901 90 E CA -0.746 55.684 56.400 0.050 0.000 0.782 90 E CB 2.466 32.156 29.700 -0.016 0.000 1.228 90 E HN 0.495 nan 8.360 nan 0.000 0.424 91 Y N 3.215 123.194 120.300 -0.535 0.000 2.504 91 Y HA 0.329 4.881 4.550 0.003 0.000 0.339 91 Y C -1.016 174.704 175.900 -0.300 0.000 0.974 91 Y CA -0.454 57.319 58.100 -0.545 0.000 1.232 91 Y CB 0.431 38.280 38.460 -1.018 0.000 1.108 91 Y HN 0.244 nan 8.280 nan 0.000 0.509 92 K N 5.575 125.638 120.400 -0.562 0.000 2.358 92 K HA 0.281 4.603 4.320 0.003 0.000 0.260 92 K C -1.129 175.164 176.600 -0.512 0.000 0.956 92 K CA -0.829 55.194 56.287 -0.441 0.000 0.834 92 K CB 1.925 34.280 32.500 -0.240 0.000 1.102 92 K HN 0.614 nan 8.250 nan 0.000 0.431 93 Q N 2.114 121.651 119.800 -0.438 0.000 2.320 93 Q HA 0.248 4.590 4.340 0.003 0.000 0.268 93 Q C -1.281 174.612 176.000 -0.180 0.000 1.023 93 Q CA -0.425 55.184 55.803 -0.324 0.000 0.744 93 Q CB 1.390 29.933 28.738 -0.325 0.000 1.246 93 Q HN 0.453 nan 8.270 nan 0.000 0.462 94 S N 3.406 119.021 115.700 -0.141 0.000 2.790 94 S HA 0.559 5.031 4.470 0.003 0.000 0.202 94 S C 0.404 174.959 174.600 -0.075 0.000 1.383 94 S CA 0.192 58.334 58.200 -0.096 0.000 1.026 94 S CB 0.764 63.913 63.200 -0.085 0.000 1.253 94 S HN 1.051 nan 8.310 nan 0.000 0.489 95 G N 3.316 112.076 108.800 -0.067 0.000 2.650 95 G HA2 -0.273 3.688 3.960 0.003 0.000 0.264 95 G HA3 -0.273 3.688 3.960 0.003 0.000 0.264 95 G C 0.298 175.167 174.900 -0.052 0.000 1.263 95 G CA 0.002 45.072 45.100 -0.051 0.000 0.960 95 G HN 0.513 nan 8.290 nan 0.000 0.548 96 E N 1.440 121.612 120.200 -0.047 0.000 2.502 96 E HA 0.367 4.719 4.350 0.003 0.000 0.194 96 E C 1.170 177.738 176.600 -0.053 0.000 1.062 96 E CA 0.798 57.172 56.400 -0.044 0.000 0.867 96 E CB 0.351 30.028 29.700 -0.037 0.000 0.888 96 E HN 0.761 nan 8.360 nan 0.000 0.510 97 S N 0.252 115.911 115.700 -0.069 0.000 2.509 97 S HA 0.626 5.098 4.470 0.003 0.000 0.297 97 S C -0.144 174.381 174.600 -0.125 0.000 1.118 97 S CA -0.875 57.276 58.200 -0.083 0.000 1.074 97 S CB 1.048 64.201 63.200 -0.080 0.000 1.038 97 S HN 0.077 nan 8.310 nan 0.000 0.498 98 I N 2.806 123.296 120.570 -0.132 0.000 2.540 98 I HA 0.330 4.502 4.170 0.003 0.000 0.280 98 I C -1.427 174.583 176.117 -0.178 0.000 1.083 98 I CA -0.549 60.622 61.300 -0.214 0.000 1.080 98 I CB 1.596 39.511 38.000 -0.140 0.000 1.205 98 I HN 0.631 nan 8.210 nan 0.000 0.459 99 D N 7.184 127.452 120.400 -0.220 0.000 2.248 99 D HA 0.536 5.177 4.640 0.003 0.000 0.246 99 D C -0.171 176.054 176.300 -0.124 0.000 1.027 99 D CA -0.314 53.606 54.000 -0.133 0.000 0.853 99 D CB 3.029 43.767 40.800 -0.104 0.000 1.243 99 D HN 0.292 nan 8.370 nan 0.000 0.462 100 I N 2.531 123.090 120.570 -0.019 0.000 2.328 100 I HA 0.267 4.439 4.170 0.003 0.000 0.287 100 I C 0.404 176.542 176.117 0.035 0.000 1.012 100 I CA -0.780 60.559 61.300 0.064 0.000 1.195 100 I CB 0.721 38.818 38.000 0.160 0.000 1.350 100 I HN 0.200 nan 8.210 nan 0.000 0.464 101 I N 2.310 122.893 120.570 0.023 0.000 2.428 101 I HA 0.408 4.580 4.170 0.003 0.000 0.296 101 I C 0.147 176.290 176.117 0.044 0.000 0.985 101 I CA -0.314 60.992 61.300 0.012 0.000 1.260 101 I CB 1.534 39.523 38.000 -0.017 0.000 1.389 101 I HN 0.293 nan 8.210 nan 0.000 0.484 102 T N 5.618 120.184 114.554 0.021 0.000 2.738 102 T HA 0.229 4.581 4.350 0.003 0.000 0.294 102 T C 1.014 175.744 174.700 0.049 0.000 0.914 102 T CA -0.272 61.848 62.100 0.033 0.000 1.052 102 T CB 0.206 69.045 68.868 -0.048 0.000 0.897 102 T HN 0.501 nan 8.240 nan 0.000 0.522 103 R N 1.820 122.372 120.500 0.088 0.000 2.317 103 R HA 0.472 4.814 4.340 0.003 0.000 0.208 103 R C 0.304 176.669 176.300 0.108 0.000 0.914 103 R CA 0.017 56.166 56.100 0.081 0.000 1.060 103 R CB 0.003 30.349 30.300 0.077 0.000 1.015 103 R HN 0.763 nan 8.270 nan 0.000 0.498 104 A N 0.289 123.202 122.820 0.155 0.000 2.517 104 A HA 0.425 4.747 4.320 0.003 0.000 0.296 104 A C -1.673 176.095 177.584 0.306 0.000 0.983 104 A CA -0.823 51.332 52.037 0.197 0.000 0.634 104 A CB 0.795 19.873 19.000 0.130 0.000 1.341 104 A HN 0.459 nan 8.150 nan 0.000 0.438 105 H N -0.694 118.414 119.070 0.063 0.000 3.016 105 H HA 0.634 5.192 4.556 0.003 0.000 0.289 105 H C -0.558 174.799 175.328 0.048 0.000 1.224 105 H CA -0.048 56.044 56.048 0.072 0.000 1.485 105 H CB 0.432 30.232 29.762 0.063 0.000 1.999 105 H HN 2.315 nan 8.280 nan 0.000 0.511 106 G N 0.996 109.715 108.800 -0.135 0.000 2.588 106 G HA2 0.253 4.215 3.960 0.003 0.000 0.281 106 G HA3 0.253 4.215 3.960 0.003 0.000 0.281 106 G C -1.607 173.267 174.900 -0.042 0.000 1.223 106 G CA -0.539 44.437 45.100 -0.207 0.000 0.871 106 G HN 0.750 nan 8.290 nan 0.000 0.492 107 N N 0.274 118.960 118.700 -0.025 0.000 2.533 107 N HA 0.263 5.005 4.740 0.003 0.000 0.289 107 N C 0.267 175.825 175.510 0.081 0.000 1.103 107 N CA -0.215 52.866 53.050 0.052 0.000 0.877 107 N CB 2.092 40.577 38.487 -0.004 0.000 1.419 107 N HN 0.797 nan 8.380 nan 0.000 0.517 108 V N 1.004 121.013 119.914 0.158 0.000 3.337 108 V HA 0.248 4.370 4.120 0.003 0.000 0.343 108 V C 0.772 176.963 176.094 0.161 0.000 1.302 108 V CA -0.238 62.153 62.300 0.153 0.000 1.268 108 V CB -0.640 31.297 31.823 0.190 0.000 1.185 108 V HN 0.589 nan 8.190 nan 0.000 0.447 109 Q N 1.535 121.403 119.800 0.114 0.000 2.286 109 Q HA 0.234 4.576 4.340 0.003 0.000 0.257 109 Q C -1.028 174.945 176.000 -0.044 0.000 0.941 109 Q CA -0.330 55.456 55.803 -0.028 0.000 0.912 109 Q CB 1.111 29.834 28.738 -0.025 0.000 1.192 109 Q HN 0.588 nan 8.270 nan 0.000 0.410 110 D N 2.992 123.307 120.400 -0.141 0.000 2.193 110 D HA 0.141 4.783 4.640 0.003 0.000 0.249 110 D C 0.508 176.627 176.300 -0.301 0.000 1.034 110 D CA -0.431 53.409 54.000 -0.267 0.000 0.902 110 D CB 1.460 41.991 40.800 -0.448 0.000 1.182 110 D HN 0.431 nan 8.370 nan 0.000 0.436 111 R N 1.379 121.766 120.500 -0.189 0.000 2.115 111 R HA -0.021 4.321 4.340 0.003 0.000 0.226 111 R C 1.470 177.670 176.300 -0.166 0.000 1.100 111 R CA 0.926 56.948 56.100 -0.132 0.000 0.980 111 R CB -0.333 29.924 30.300 -0.071 0.000 0.875 111 R HN 0.573 nan 8.270 nan 0.000 0.445 112 I N -2.310 118.121 120.570 -0.231 0.000 6.460 112 I HA 0.341 4.513 4.170 0.003 0.000 0.171 112 I C 0.977 176.887 176.117 -0.346 0.000 0.892 112 I CA 0.588 61.763 61.300 -0.209 0.000 1.533 112 I CB -1.767 36.136 38.000 -0.162 0.000 1.307 112 I HN 0.270 nan 8.210 nan 0.000 0.472 113 G N 1.100 109.689 108.800 -0.352 0.000 2.967 113 G HA2 -0.268 3.694 3.960 0.003 0.000 0.684 113 G HA3 -0.268 3.694 3.960 0.003 0.000 0.684 113 G C -0.258 174.701 174.900 0.097 0.000 1.596 113 G CA 0.103 45.004 45.100 -0.332 0.000 1.102 113 G HN 1.000 nan 8.290 nan 0.000 0.596 114 R N 2.279 122.945 120.500 0.277 0.000 2.388 114 R HA 0.479 4.820 4.340 0.003 0.000 0.314 114 R C -2.542 173.901 176.300 0.239 0.000 0.959 114 R CA -2.190 54.042 56.100 0.220 0.000 0.851 114 R CB 1.517 31.879 30.300 0.104 0.000 1.168 114 R HN 0.284 nan 8.270 nan 0.000 0.472 115 P HA -0.058 nan 4.420 nan 0.000 0.243 115 P C -0.675 176.630 177.300 0.008 0.000 1.134 115 P CA 0.653 63.776 63.100 0.039 0.000 1.109 115 P CB 0.219 31.949 31.700 0.050 0.000 1.140 116 S N 1.682 117.384 115.700 0.002 0.000 2.537 116 S HA -0.105 4.367 4.470 0.003 0.000 0.280 116 S C 0.621 175.201 174.600 -0.034 0.000 1.335 116 S CA -0.079 58.113 58.200 -0.014 0.000 1.025 116 S CB 0.332 63.538 63.200 0.009 0.000 0.836 116 S HN 0.489 nan 8.310 nan 0.000 0.523 117 E N -0.214 119.948 120.200 -0.063 0.000 2.322 117 E HA 0.254 4.606 4.350 0.003 0.000 0.257 117 E C 0.136 176.733 176.600 -0.004 0.000 1.155 117 E CA 0.024 56.397 56.400 -0.045 0.000 0.936 117 E CB 0.409 30.067 29.700 -0.071 0.000 1.130 117 E HN 0.702 nan 8.360 nan 0.000 0.465 118 T N -0.031 114.529 114.554 0.009 0.000 6.412 118 T HA -0.207 4.145 4.350 0.003 0.000 0.279 118 T C 0.569 175.272 174.700 0.004 0.000 2.177 118 T CA 0.950 63.061 62.100 0.018 0.000 3.599 118 T CB -2.119 66.775 68.868 0.044 0.000 1.259 118 T HN 1.335 nan 8.240 nan 0.000 1.146 119 G N 1.261 110.057 108.800 -0.006 0.000 2.697 119 G HA2 -0.162 3.799 3.960 0.003 0.000 0.240 119 G HA3 -0.162 3.799 3.960 0.003 0.000 0.240 119 G C -0.366 174.527 174.900 -0.012 0.000 1.346 119 G CA -0.381 44.710 45.100 -0.016 0.000 0.887 119 G HN 0.776 nan 8.290 nan 0.000 0.569 120 I N 1.130 121.685 120.570 -0.026 0.000 2.505 120 I HA 0.185 4.357 4.170 0.003 0.000 0.287 120 I C 0.855 176.976 176.117 0.006 0.000 1.104 120 I CA -0.073 61.219 61.300 -0.014 0.000 1.387 120 I CB 0.012 37.977 38.000 -0.058 0.000 1.404 120 I HN 0.271 nan 8.210 nan 0.000 0.528 121 I N 5.517 126.108 120.570 0.034 0.000 2.392 121 I HA 0.460 4.632 4.170 0.003 0.000 0.295 121 I C 0.716 176.887 176.117 0.090 0.000 0.985 121 I CA -0.320 61.006 61.300 0.044 0.000 1.221 121 I CB 1.680 39.696 38.000 0.027 0.000 1.366 121 I HN 0.562 nan 8.210 nan 0.000 0.467 122 G N 7.328 116.186 108.800 0.098 0.000 2.730 122 G HA2 0.713 4.675 3.960 0.003 0.000 0.291 122 G HA3 0.713 4.675 3.960 0.003 0.000 0.291 122 G C -0.795 174.205 174.900 0.167 0.000 1.456 122 G CA -0.332 44.867 45.100 0.165 0.000 0.996 122 G HN 0.567 nan 8.290 nan 0.000 0.528 123 I N -0.696 120.003 120.570 0.216 0.000 3.042 123 I HA 0.784 4.955 4.170 0.003 0.000 0.310 123 I C -1.075 175.036 176.117 -0.011 0.000 1.117 123 I CA -1.722 59.686 61.300 0.179 0.000 1.003 123 I CB 2.722 40.918 38.000 0.327 0.000 1.228 123 I HN 0.223 nan 8.210 nan 0.000 0.443 124 I N 1.684 122.121 120.570 -0.222 0.000 2.619 124 I HA 0.264 4.436 4.170 0.003 0.000 0.292 124 I C -1.098 174.570 176.117 -0.748 0.000 1.100 124 I CA -0.499 60.456 61.300 -0.575 0.000 1.043 124 I CB 2.170 39.910 38.000 -0.433 0.000 1.239 124 I HN 0.645 nan 8.210 nan 0.000 0.420 125 D N 7.303 127.023 120.400 -1.133 0.000 2.424 125 D HA 0.147 4.789 4.640 0.003 0.000 0.244 125 D C -1.830 174.280 176.300 -0.317 0.000 1.134 125 D CA -1.489 52.078 54.000 -0.721 0.000 0.881 125 D CB 1.474 41.938 40.800 -0.560 0.000 1.191 125 D HN 0.167 nan 8.370 nan 0.000 0.445 126 P HA -0.104 nan 4.420 nan 0.000 0.219 126 P C 0.267 177.563 177.300 -0.007 0.000 1.146 126 P CA 1.058 64.085 63.100 -0.122 0.000 0.808 126 P CB 0.125 31.723 31.700 -0.170 0.000 0.779 127 E N -1.686 118.507 120.200 -0.012 0.000 2.516 127 E HA -0.030 4.322 4.350 0.003 0.000 0.199 127 E C 0.210 176.812 176.600 0.003 0.000 1.069 127 E CA -0.002 56.410 56.400 0.020 0.000 0.876 127 E CB -0.756 28.962 29.700 0.031 0.000 0.843 127 E HN 0.140 nan 8.360 nan 0.000 0.530 128 C N 1.137 120.419 119.300 -0.030 0.000 4.056 128 C HA -0.214 4.247 4.460 0.003 0.000 0.298 128 C C 1.590 176.573 174.990 -0.012 0.000 1.456 128 C CA 0.522 59.541 59.018 0.002 0.000 2.037 128 C CB -2.187 25.635 27.740 0.137 0.000 1.295 128 C HN 0.493 nan 8.230 nan 0.000 0.733 129 R N -0.718 119.743 120.500 -0.066 0.000 2.210 129 R HA 0.192 4.534 4.340 0.003 0.000 0.203 129 R C 0.484 176.723 176.300 -0.102 0.000 1.010 129 R CA 1.322 57.391 56.100 -0.052 0.000 1.008 129 R CB 0.055 30.339 30.300 -0.026 0.000 0.923 129 R HN 0.746 nan 8.270 nan 0.000 0.469 130 M N -1.776 117.708 119.600 -0.194 0.000 2.853 130 M HA 0.370 4.852 4.480 0.003 0.000 0.273 130 M C -1.396 174.658 176.300 -0.409 0.000 1.128 130 M CA -0.750 54.394 55.300 -0.260 0.000 0.814 130 M CB 1.114 33.596 32.600 -0.197 0.000 1.667 130 M HN -0.254 nan 8.290 nan 0.000 0.519 131 I N 0.602 120.926 120.570 -0.410 0.000 2.577 131 I HA 0.890 5.062 4.170 0.003 0.000 0.305 131 I C 0.440 176.466 176.117 -0.151 0.000 0.986 131 I CA -0.953 60.098 61.300 -0.415 0.000 1.189 131 I CB 1.953 39.608 38.000 -0.575 0.000 1.355 131 I HN 0.949 nan 8.210 nan 0.000 0.476 132 G N 4.532 113.416 108.800 0.139 0.000 2.513 132 G HA2 0.690 4.651 3.960 0.003 0.000 0.317 132 G HA3 0.690 4.651 3.960 0.003 0.000 0.317 132 G C -1.434 173.815 174.900 0.582 0.000 1.277 132 G CA -0.303 45.157 45.100 0.601 0.000 0.955 132 G HN 0.265 nan 8.290 nan 0.000 0.484 133 L N 2.427 124.022 121.223 0.620 0.000 2.427 133 L HA 0.434 4.775 4.340 0.003 0.000 0.264 133 L C 0.184 177.288 176.870 0.389 0.000 0.989 133 L CA -0.816 54.265 54.840 0.403 0.000 0.865 133 L CB 1.655 43.892 42.059 0.296 0.000 1.209 133 L HN 0.434 nan 8.230 nan 0.000 0.430 134 R N 3.834 124.454 120.500 0.199 0.000 2.429 134 R HA 0.282 4.624 4.340 0.003 0.000 0.302 134 R C 0.270 176.645 176.300 0.125 0.000 1.268 134 R CA 0.161 56.329 56.100 0.113 0.000 1.090 134 R CB -0.063 30.212 30.300 -0.041 0.000 1.102 134 R HN 0.709 nan 8.270 nan 0.000 0.522 135 L N 2.995 124.323 121.223 0.175 0.000 2.194 135 L HA 0.134 4.476 4.340 0.003 0.000 0.197 135 L C 0.302 177.110 176.870 -0.104 0.000 1.106 135 L CA 0.747 55.614 54.840 0.044 0.000 0.785 135 L CB -0.455 41.650 42.059 0.076 0.000 0.960 135 L HN 0.342 nan 8.230 nan 0.000 0.465 136 Y N -0.538 119.832 120.300 0.117 0.000 2.565 136 Y HA 0.229 4.781 4.550 0.003 0.000 0.325 136 Y C 0.297 176.244 175.900 0.078 0.000 1.221 136 Y CA -1.131 57.016 58.100 0.078 0.000 1.316 136 Y CB 0.331 38.817 38.460 0.042 0.000 1.404 136 Y HN -0.016 nan 8.280 nan 0.000 0.527 137 D N 0.159 120.693 120.400 0.224 0.000 2.350 137 D HA 0.217 4.859 4.640 0.003 0.000 0.249 137 D C 0.718 177.100 176.300 0.136 0.000 1.119 137 D CA 1.213 55.295 54.000 0.136 0.000 0.886 137 D CB 1.089 41.935 40.800 0.076 0.000 1.195 137 D HN 0.868 nan 8.370 nan 0.000 0.437 138 G N 2.532 111.407 108.800 0.126 0.000 2.249 138 G HA2 -0.248 3.713 3.960 0.003 0.000 0.273 138 G HA3 -0.248 3.713 3.960 0.003 0.000 0.273 138 G C 0.115 175.122 174.900 0.177 0.000 1.036 138 G CA -0.016 45.161 45.100 0.128 0.000 0.824 138 G HN 0.465 nan 8.290 nan 0.000 0.504 139 L N -0.561 120.801 121.223 0.233 0.000 2.617 139 L HA 0.304 4.645 4.340 0.003 0.000 0.259 139 L C -0.513 176.594 176.870 0.395 0.000 0.995 139 L CA -0.965 54.045 54.840 0.284 0.000 0.899 139 L CB 1.110 43.302 42.059 0.222 0.000 1.181 139 L HN 0.115 nan 8.230 nan 0.000 0.437 140 F N 4.696 124.805 119.950 0.265 0.000 2.515 140 F HA 0.280 4.809 4.527 0.003 0.000 0.353 140 F C 0.744 176.681 175.800 0.229 0.000 1.213 140 F CA -0.951 57.208 58.000 0.264 0.000 1.194 140 F CB 0.348 39.571 39.000 0.372 0.000 1.488 140 F HN 0.381 nan 8.300 nan 0.000 0.619 141 K N 3.717 124.346 120.400 0.381 0.000 2.469 141 K HA 0.354 4.676 4.320 0.003 0.000 0.274 141 K C -1.290 175.188 176.600 -0.203 0.000 0.983 141 K CA -0.022 56.325 56.287 0.099 0.000 0.974 141 K CB 0.661 33.248 32.500 0.146 0.000 0.913 141 K HN 0.410 nan 8.250 nan 0.000 0.493 142 V N 5.607 125.198 119.914 -0.538 0.000 2.789 142 V HA 0.436 4.558 4.120 0.003 0.000 0.311 142 V C -0.483 175.135 176.094 -0.794 0.000 1.073 142 V CA -0.845 60.994 62.300 -0.768 0.000 0.921 142 V CB 1.835 33.046 31.823 -1.019 0.000 1.009 142 V HN 0.673 nan 8.190 nan 0.000 0.426 143 I N 5.150 125.412 120.570 -0.514 0.000 2.433 143 I HA 0.444 4.616 4.170 0.003 0.000 0.292 143 I C -2.666 173.247 176.117 -0.341 0.000 1.001 143 I CA -2.210 58.845 61.300 -0.408 0.000 1.119 143 I CB 2.653 40.458 38.000 -0.326 0.000 1.289 143 I HN 0.404 nan 8.210 nan 0.000 0.438 144 P HA 0.145 nan 4.420 nan 0.000 0.282 144 P C -0.154 177.069 177.300 -0.129 0.000 1.274 144 P CA -0.419 62.586 63.100 -0.160 0.000 0.770 144 P CB 0.778 32.420 31.700 -0.096 0.000 0.867 145 L N 3.753 124.911 121.223 -0.108 0.000 2.939 145 L HA 0.154 4.496 4.340 0.003 0.000 0.239 145 L C -0.065 176.797 176.870 -0.013 0.000 1.325 145 L CA 0.366 55.171 54.840 -0.059 0.000 1.170 145 L CB -1.437 40.597 42.059 -0.041 0.000 1.538 145 L HN 0.245 nan 8.230 nan 0.000 0.452 146 D N 0.569 120.955 120.400 -0.023 0.000 2.308 146 D HA 0.108 4.750 4.640 0.003 0.000 0.251 146 D C 0.849 177.150 176.300 0.001 0.000 1.127 146 D CA -0.386 53.609 54.000 -0.009 0.000 0.876 146 D CB 0.900 41.692 40.800 -0.013 0.000 1.176 146 D HN 0.030 nan 8.370 nan 0.000 0.446 147 R N 2.077 122.580 120.500 0.005 0.000 2.487 147 R HA -0.063 4.279 4.340 0.003 0.000 0.211 147 R C -0.150 176.154 176.300 0.007 0.000 1.354 147 R CA 0.351 56.455 56.100 0.007 0.000 1.276 147 R CB -0.852 29.450 30.300 0.002 0.000 0.935 147 R HN 0.474 nan 8.270 nan 0.000 0.483 148 D N -3.344 117.060 120.400 0.005 0.000 2.682 148 D HA -0.045 4.597 4.640 0.003 0.000 0.291 148 D C -0.033 176.269 176.300 0.003 0.000 1.585 148 D CA -0.422 53.581 54.000 0.006 0.000 0.845 148 D CB -0.768 40.033 40.800 0.002 0.000 1.323 148 D HN -0.163 nan 8.370 nan 0.000 0.438 149 N N 1.596 120.296 118.700 -0.000 0.000 3.250 149 N HA 0.090 4.832 4.740 0.003 0.000 0.307 149 N C 1.077 176.588 175.510 0.002 0.000 1.355 149 N CA -0.000 53.043 53.050 -0.012 0.000 1.192 149 N CB 0.554 39.022 38.487 -0.032 0.000 1.478 149 N HN 0.146 nan 8.380 nan 0.000 0.543 150 K N 0.132 120.542 120.400 0.018 0.000 2.147 150 K HA -0.033 4.289 4.320 0.003 0.000 0.205 150 K C 0.129 176.745 176.600 0.027 0.000 1.049 150 K CA 1.130 57.447 56.287 0.049 0.000 0.936 150 K CB 0.259 32.796 32.500 0.060 0.000 0.722 150 K HN 0.411 nan 8.250 nan 0.000 0.446 151 E N -0.458 119.726 120.200 -0.025 0.000 2.280 151 E HA 0.180 4.532 4.350 0.003 0.000 0.261 151 E C -0.065 176.497 176.600 -0.064 0.000 1.088 151 E CA -0.372 55.970 56.400 -0.096 0.000 0.915 151 E CB 1.085 30.744 29.700 -0.068 0.000 1.141 151 E HN 0.068 nan 8.360 nan 0.000 0.433 152 L N 0.920 122.092 121.223 -0.085 0.000 2.959 152 L HA 0.129 4.471 4.340 0.003 0.000 0.259 152 L C -0.357 176.470 176.870 -0.072 0.000 1.185 152 L CA -0.229 54.572 54.840 -0.064 0.000 0.998 152 L CB 0.400 42.432 42.059 -0.045 0.000 1.337 152 L HN 0.222 nan 8.230 nan 0.000 0.555 153 K N 1.779 122.141 120.400 -0.065 0.000 2.572 153 K HA 0.051 4.372 4.320 0.003 0.000 0.273 153 K C 0.058 176.613 176.600 -0.076 0.000 0.990 153 K CA 0.564 56.818 56.287 -0.055 0.000 1.097 153 K CB 0.266 32.744 32.500 -0.037 0.000 0.819 153 K HN 0.203 nan 8.250 nan 0.000 0.482 154 A N 2.640 125.413 122.820 -0.078 0.000 2.556 154 A HA 0.701 5.022 4.320 0.003 0.000 0.294 154 A C -0.712 176.824 177.584 -0.080 0.000 1.091 154 A CA -0.949 50.991 52.037 -0.162 0.000 0.704 154 A CB 0.839 19.709 19.000 -0.217 0.000 1.300 154 A HN 0.499 nan 8.150 nan 0.000 0.406 155 F N 0.072 119.981 119.950 -0.068 0.000 2.403 155 F HA 0.768 5.297 4.527 0.003 0.000 0.326 155 F C -0.088 175.677 175.800 -0.059 0.000 1.099 155 F CA -1.702 56.258 58.000 -0.067 0.000 1.036 155 F CB 0.750 39.697 39.000 -0.088 0.000 1.336 155 F HN 0.538 nan 8.300 nan 0.000 0.497 156 N N 0.606 119.579 118.700 0.455 0.000 2.430 156 N HA 0.450 5.192 4.740 0.003 0.000 0.290 156 N C -1.535 174.138 175.510 0.272 0.000 1.063 156 N CA -0.620 52.611 53.050 0.303 0.000 0.883 156 N CB 1.201 39.782 38.487 0.157 0.000 1.465 156 N HN 0.388 nan 8.380 nan 0.000 0.493 157 I N 1.767 122.510 120.570 0.289 0.000 2.783 157 I HA 0.410 4.582 4.170 0.003 0.000 0.312 157 I C 0.903 177.197 176.117 0.295 0.000 0.988 157 I CA -0.553 60.875 61.300 0.213 0.000 1.182 157 I CB 1.019 39.116 38.000 0.162 0.000 1.368 157 I HN 0.438 nan 8.210 nan 0.000 0.511 158 R N 2.800 123.457 120.500 0.262 0.000 2.532 158 R HA 0.668 5.009 4.340 0.003 0.000 0.272 158 R C -0.922 175.536 176.300 0.262 0.000 1.032 158 R CA -0.837 55.395 56.100 0.220 0.000 1.089 158 R CB 1.316 31.691 30.300 0.124 0.000 1.098 158 R HN 0.465 nan 8.270 nan 0.000 0.526 159 L N 1.365 122.696 121.223 0.181 0.000 2.438 159 L HA 0.217 4.559 4.340 0.003 0.000 0.270 159 L C 0.330 177.243 176.870 0.071 0.000 0.972 159 L CA -0.350 54.575 54.840 0.143 0.000 0.831 159 L CB 2.294 44.448 42.059 0.159 0.000 1.273 159 L HN 0.534 nan 8.230 nan 0.000 0.405 160 E N 1.200 121.427 120.200 0.045 0.000 2.476 160 E HA 0.030 4.382 4.350 0.003 0.000 0.191 160 E C -0.768 175.758 176.600 -0.124 0.000 1.064 160 E CA 0.308 56.697 56.400 -0.018 0.000 0.866 160 E CB 0.240 29.937 29.700 -0.004 0.000 0.952 160 E HN 0.325 nan 8.360 nan 0.000 0.492 161 E N -0.245 119.849 120.200 -0.176 0.000 2.346 161 E HA 0.203 4.554 4.350 0.003 0.000 0.239 161 E C 0.553 177.064 176.600 -0.149 0.000 0.943 161 E CA -0.089 56.084 56.400 -0.379 0.000 0.751 161 E CB 0.682 29.837 29.700 -0.907 0.000 1.241 161 E HN 0.042 nan 8.360 nan 0.000 0.423 162 L N 0.351 121.536 121.223 -0.063 0.000 1.955 162 L HA -0.109 4.233 4.340 0.003 0.000 0.213 162 L C 1.142 178.052 176.870 0.067 0.000 1.072 162 L CA 1.167 56.016 54.840 0.015 0.000 0.755 162 L CB -0.401 41.669 42.059 0.018 0.000 0.888 162 L HN 0.608 nan 8.230 nan 0.000 0.432 163 H N 0.743 119.803 119.070 -0.017 0.000 3.232 163 H HA 0.282 4.840 4.556 0.003 0.000 0.254 163 H C -0.873 174.465 175.328 0.018 0.000 1.213 163 H CA -0.655 55.398 56.048 0.008 0.000 1.503 163 H CB 0.206 29.977 29.762 0.014 0.000 1.563 163 H HN -0.116 nan 8.280 nan 0.000 0.490 164 V N 6.428 126.482 119.914 0.234 0.000 2.769 164 V HA 0.090 4.212 4.120 0.003 0.000 0.312 164 V C 0.453 176.628 176.094 0.136 0.000 1.058 164 V CA -0.672 61.707 62.300 0.131 0.000 0.952 164 V CB 1.808 33.713 31.823 0.137 0.000 1.019 164 V HN 0.699 nan 8.190 nan 0.000 0.445 165 I N 0.306 120.902 120.570 0.045 0.000 3.393 165 I HA 0.343 4.515 4.170 0.003 0.000 0.250 165 I C 0.334 176.470 176.117 0.032 0.000 1.122 165 I CA 0.891 62.210 61.300 0.032 0.000 1.484 165 I CB -0.080 37.899 38.000 -0.036 0.000 1.468 165 I HN 0.614 nan 8.210 nan 0.000 0.461 166 D N 0.159 120.573 120.400 0.024 0.000 2.601 166 D HA 0.630 5.272 4.640 0.003 0.000 0.230 166 D C -1.124 175.217 176.300 0.067 0.000 1.106 166 D CA -0.223 53.802 54.000 0.041 0.000 0.873 166 D CB 3.035 43.858 40.800 0.037 0.000 1.515 166 D HN -0.197 nan 8.370 nan 0.000 0.468 167 V N 2.236 122.177 119.914 0.045 0.000 2.971 167 V HA 0.623 4.744 4.120 0.003 0.000 0.309 167 V C -0.750 175.360 176.094 0.026 0.000 1.130 167 V CA -0.869 61.430 62.300 -0.002 0.000 0.964 167 V CB 2.425 34.150 31.823 -0.163 0.000 1.029 167 V HN 0.482 nan 8.190 nan 0.000 0.427 168 K N 2.844 123.256 120.400 0.021 0.000 2.575 168 K HA 0.448 4.769 4.320 0.003 0.000 0.255 168 K C -1.457 175.216 176.600 0.122 0.000 0.953 168 K CA -0.589 55.781 56.287 0.138 0.000 0.840 168 K CB 2.185 34.785 32.500 0.166 0.000 1.303 168 K HN 0.419 nan 8.250 nan 0.000 0.438 169 F N 1.441 121.397 119.950 0.011 0.000 2.535 169 F HA 0.175 4.704 4.527 0.003 0.000 0.332 169 F C 1.007 176.799 175.800 -0.013 0.000 1.208 169 F CA 0.043 58.044 58.000 0.003 0.000 1.330 169 F CB 0.277 39.261 39.000 -0.025 0.000 1.167 169 F HN 0.244 nan 8.300 nan 0.000 0.597 170 L N 1.006 122.346 121.223 0.195 0.000 2.334 170 L HA 0.389 4.731 4.340 0.003 0.000 0.273 170 L C -0.586 176.409 176.870 0.208 0.000 1.013 170 L CA -0.893 54.077 54.840 0.217 0.000 0.816 170 L CB 1.263 43.462 42.059 0.233 0.000 1.278 170 L HN 0.415 nan 8.230 nan 0.000 0.431 171 Y N 0.557 120.984 120.300 0.212 0.000 2.220 171 Y HA 0.241 4.793 4.550 0.003 0.000 0.347 171 Y C 1.374 177.377 175.900 0.172 0.000 1.311 171 Y CA 0.282 58.492 58.100 0.183 0.000 1.593 171 Y CB 0.132 38.697 38.460 0.175 0.000 1.419 171 Y HN 0.696 nan 8.280 nan 0.000 0.614 172 G N 0.154 109.159 108.800 0.340 0.000 2.072 172 G HA2 -0.172 3.790 3.960 0.003 0.000 0.242 172 G HA3 -0.172 3.790 3.960 0.003 0.000 0.242 172 G C -0.969 174.050 174.900 0.198 0.000 0.694 172 G CA 0.267 45.505 45.100 0.229 0.000 1.084 172 G HN 0.628 nan 8.290 nan 0.000 0.350 173 C N 1.768 121.170 119.300 0.170 0.000 2.752 173 C HA 0.321 4.782 4.460 0.003 0.000 0.360 173 C C 1.409 176.470 174.990 0.118 0.000 1.081 173 C CA -0.815 58.293 59.018 0.149 0.000 1.272 173 C CB 1.703 29.540 27.740 0.162 0.000 1.754 173 C HN 0.839 nan 8.230 nan 0.000 0.483 174 Q N 1.506 121.365 119.800 0.100 0.000 2.156 174 Q HA -0.166 4.175 4.340 0.003 0.000 0.211 174 Q C 0.904 176.948 176.000 0.074 0.000 0.995 174 Q CA 1.906 57.756 55.803 0.078 0.000 0.877 174 Q CB 0.041 28.820 28.738 0.068 0.000 0.920 174 Q HN 0.870 nan 8.270 nan 0.000 0.416 175 A N 0.813 123.681 122.820 0.080 0.000 2.350 175 A HA 0.498 4.820 4.320 0.003 0.000 0.324 175 A C -2.563 175.081 177.584 0.100 0.000 1.118 175 A CA -1.928 50.154 52.037 0.075 0.000 0.783 175 A CB 0.913 19.948 19.000 0.058 0.000 1.236 175 A HN -0.143 nan 8.150 nan 0.000 0.457 176 P HA 0.082 nan 4.420 nan 0.000 0.257 176 P C -0.070 177.312 177.300 0.136 0.000 1.189 176 P CA 0.787 64.001 63.100 0.189 0.000 0.780 176 P CB 0.211 32.059 31.700 0.246 0.000 0.772 177 T N 1.652 116.278 114.554 0.120 0.000 2.767 177 T HA 0.592 4.944 4.350 0.003 0.000 0.284 177 T C -0.122 174.522 174.700 -0.093 0.000 0.973 177 T CA -0.722 61.393 62.100 0.025 0.000 0.996 177 T CB 0.296 69.183 68.868 0.031 0.000 0.927 177 T HN -0.044 nan 8.240 nan 0.000 0.456 178 I N 3.480 123.936 120.570 -0.191 0.000 2.354 178 I HA 0.350 4.522 4.170 0.003 0.000 0.286 178 I C 0.258 176.140 176.117 -0.391 0.000 1.007 178 I CA -0.671 60.398 61.300 -0.384 0.000 1.167 178 I CB 0.986 38.754 38.000 -0.387 0.000 1.320 178 I HN 0.917 nan 8.210 nan 0.000 0.458 179 C N 8.628 127.767 119.300 -0.268 0.000 2.358 179 C HA 0.878 5.340 4.460 0.003 0.000 0.342 179 C C -0.271 174.739 174.990 0.032 0.000 1.234 179 C CA -0.485 58.449 59.018 -0.140 0.000 1.969 179 C CB -0.529 27.164 27.740 -0.078 0.000 2.346 179 C HN 0.758 nan 8.230 nan 0.000 0.525 180 F N 2.833 122.645 119.950 -0.229 0.000 2.773 180 F HA 0.733 5.262 4.527 0.003 0.000 0.314 180 F C -1.688 174.006 175.800 -0.177 0.000 1.160 180 F CA -1.237 56.652 58.000 -0.185 0.000 0.920 180 F CB 1.193 40.066 39.000 -0.212 0.000 1.323 180 F HN 0.314 nan 8.300 nan 0.000 0.457 181 V N 2.170 121.968 119.914 -0.193 0.000 2.495 181 V HA 0.478 4.600 4.120 0.003 0.000 0.298 181 V C -1.256 174.621 176.094 -0.363 0.000 1.031 181 V CA -0.672 61.411 62.300 -0.362 0.000 0.871 181 V CB 1.583 33.280 31.823 -0.210 0.000 0.988 181 V HN 0.753 nan 8.190 nan 0.000 0.432 182 Y N 2.109 122.137 120.300 -0.452 0.000 2.545 182 Y HA 0.807 5.359 4.550 0.003 0.000 0.348 182 Y C -0.562 175.167 175.900 -0.284 0.000 1.002 182 Y CA -1.455 56.427 58.100 -0.364 0.000 1.039 182 Y CB 1.583 39.766 38.460 -0.463 0.000 1.271 182 Y HN 0.606 nan 8.280 nan 0.000 0.467 183 Q N 1.949 121.729 119.800 -0.033 0.000 2.306 183 Q HA 0.605 4.946 4.340 0.003 0.000 0.265 183 Q C -1.794 174.218 176.000 0.019 0.000 1.022 183 Q CA -0.549 55.163 55.803 -0.152 0.000 0.853 183 Q CB 2.190 30.648 28.738 -0.467 0.000 1.327 183 Q HN 0.967 nan 8.270 nan 0.000 0.449 184 D N 1.124 121.529 120.400 0.008 0.000 2.752 184 D HA 0.419 5.061 4.640 0.003 0.000 0.313 184 D C -2.297 174.005 176.300 0.003 0.000 1.225 184 D CA -1.233 52.802 54.000 0.057 0.000 0.976 184 D CB 1.086 41.975 40.800 0.147 0.000 1.443 184 D HN 0.210 nan 8.370 nan 0.000 0.515 185 P HA -0.107 nan 4.420 nan 0.000 0.215 185 P C 0.609 177.898 177.300 -0.018 0.000 1.157 185 P CA 1.385 64.489 63.100 0.006 0.000 0.868 185 P CB 0.020 31.733 31.700 0.021 0.000 0.788 186 Q N -0.526 119.271 119.800 -0.005 0.000 2.547 186 Q HA 0.301 4.642 4.340 0.003 0.000 0.217 186 Q C 1.026 176.941 176.000 -0.141 0.000 0.978 186 Q CA 0.737 56.523 55.803 -0.028 0.000 0.962 186 Q CB -0.795 27.974 28.738 0.052 0.000 0.990 186 Q HN 0.234 nan 8.270 nan 0.000 0.538 187 G N 0.238 108.937 108.800 -0.169 0.000 2.466 187 G HA2 -0.182 3.780 3.960 0.003 0.000 0.316 187 G HA3 -0.182 3.780 3.960 0.003 0.000 0.316 187 G C -1.271 173.409 174.900 -0.367 0.000 1.270 187 G CA -1.169 43.780 45.100 -0.251 0.000 0.982 187 G HN 0.150 nan 8.290 nan 0.000 0.506 188 R N 0.937 121.209 120.500 -0.380 0.000 2.233 188 R HA 0.384 4.726 4.340 0.003 0.000 0.334 188 R C -0.227 175.753 176.300 -0.534 0.000 1.037 188 R CA -0.683 55.167 56.100 -0.416 0.000 0.920 188 R CB 0.464 30.585 30.300 -0.298 0.000 1.137 188 R HN 0.531 nan 8.270 nan 0.000 0.492 189 H N 1.021 119.722 119.070 -0.615 0.000 2.505 189 H HA 0.187 4.744 4.556 0.003 0.000 0.351 189 H C -0.354 174.401 175.328 -0.954 0.000 1.151 189 H CA -0.354 55.255 56.048 -0.731 0.000 1.339 189 H CB 2.230 31.519 29.762 -0.789 0.000 1.483 189 H HN 0.194 nan 8.280 nan 0.000 0.558 190 V N 4.145 123.780 119.914 -0.465 0.000 2.327 190 V HA 0.254 4.376 4.120 0.003 0.000 0.272 190 V C -0.255 175.663 176.094 -0.294 0.000 1.019 190 V CA -0.558 61.485 62.300 -0.429 0.000 0.814 190 V CB 0.142 31.776 31.823 -0.313 0.000 1.040 190 V HN 0.855 nan 8.190 nan 0.000 0.440 191 K N 3.932 124.162 120.400 -0.283 0.000 2.450 191 K HA 0.892 5.214 4.320 0.003 0.000 0.248 191 K C -0.087 176.469 176.600 -0.074 0.000 1.056 191 K CA -0.282 55.925 56.287 -0.134 0.000 0.974 191 K CB 1.860 34.350 32.500 -0.017 0.000 1.334 191 K HN 0.533 nan 8.250 nan 0.000 0.516 192 T N -3.241 111.185 114.554 -0.213 0.000 2.858 192 T HA 0.495 4.847 4.350 0.003 0.000 0.285 192 T C -0.957 173.685 174.700 -0.096 0.000 1.052 192 T CA -0.795 61.123 62.100 -0.302 0.000 1.009 192 T CB 0.794 69.308 68.868 -0.590 0.000 1.241 192 T HN 0.614 nan 8.240 nan 0.000 0.542 193 Y N -0.933 119.239 120.300 -0.212 0.000 2.521 193 Y HA 0.333 4.885 4.550 0.003 0.000 0.328 193 Y C -0.587 175.321 175.900 0.013 0.000 1.151 193 Y CA -1.207 56.836 58.100 -0.096 0.000 1.054 193 Y CB 2.333 40.672 38.460 -0.202 0.000 1.338 193 Y HN 0.680 nan 8.280 nan 0.000 0.453 194 E N 2.665 122.990 120.200 0.208 0.000 2.204 194 E HA 0.501 4.853 4.350 0.003 0.000 0.276 194 E C -1.161 175.508 176.600 0.115 0.000 0.974 194 E CA -0.842 55.630 56.400 0.120 0.000 0.815 194 E CB 2.887 32.625 29.700 0.064 0.000 1.119 194 E HN 0.381 nan 8.360 nan 0.000 0.393 195 V N -0.710 119.228 119.914 0.039 0.000 2.735 195 V HA 0.762 4.884 4.120 0.003 0.000 0.310 195 V C -0.553 175.501 176.094 -0.067 0.000 1.061 195 V CA -0.707 61.536 62.300 -0.095 0.000 0.913 195 V CB 1.725 33.464 31.823 -0.140 0.000 1.005 195 V HN 0.688 nan 8.190 nan 0.000 0.428 196 S N 3.790 119.420 115.700 -0.116 0.000 2.557 196 S HA 0.650 5.122 4.470 0.003 0.000 0.291 196 S C 0.213 174.769 174.600 -0.074 0.000 1.116 196 S CA -0.819 57.338 58.200 -0.071 0.000 0.992 196 S CB 1.677 64.833 63.200 -0.073 0.000 1.028 196 S HN 0.780 nan 8.310 nan 0.000 0.484 197 L N 0.906 122.120 121.223 -0.014 0.000 2.240 197 L HA 0.158 4.500 4.340 0.003 0.000 0.211 197 L C 2.733 179.589 176.870 -0.024 0.000 1.106 197 L CA 0.620 55.486 54.840 0.044 0.000 0.793 197 L CB -0.342 41.751 42.059 0.056 0.000 0.927 197 L HN 0.611 nan 8.230 nan 0.000 0.446 198 R N 0.467 120.936 120.500 -0.051 0.000 2.055 198 R HA -0.054 4.287 4.340 0.003 0.000 0.226 198 R C 2.097 178.329 176.300 -0.113 0.000 1.135 198 R CA 1.270 57.331 56.100 -0.066 0.000 0.959 198 R CB -0.179 30.093 30.300 -0.047 0.000 0.854 198 R HN 0.225 nan 8.270 nan 0.000 0.431 199 E N 0.748 120.871 120.200 -0.127 0.000 2.418 199 E HA -0.078 4.274 4.350 0.003 0.000 0.197 199 E C -0.348 176.099 176.600 -0.254 0.000 1.026 199 E CA 0.262 56.568 56.400 -0.156 0.000 0.862 199 E CB 0.136 29.759 29.700 -0.129 0.000 0.799 199 E HN 0.199 nan 8.360 nan 0.000 0.518 200 K N 1.126 121.317 120.400 -0.350 0.000 3.311 200 K HA -0.232 4.089 4.320 0.003 0.000 0.270 200 K C -0.400 175.817 176.600 -0.639 0.000 0.927 200 K CA 0.744 56.614 56.287 -0.695 0.000 0.706 200 K CB -0.861 31.176 32.500 -0.773 0.000 1.418 200 K HN 0.241 nan 8.250 nan 0.000 0.459 201 E N -1.347 118.566 120.200 -0.478 0.000 2.429 201 E HA 0.317 4.669 4.350 0.003 0.000 0.277 201 E C -1.050 175.297 176.600 -0.422 0.000 1.130 201 E CA -0.932 55.230 56.400 -0.396 0.000 0.875 201 E CB 0.891 30.462 29.700 -0.216 0.000 1.443 201 E HN 0.002 nan 8.360 nan 0.000 0.444 202 F N 1.377 121.196 119.950 -0.218 0.000 2.385 202 F HA 0.346 4.874 4.527 0.003 0.000 0.336 202 F C 1.428 177.061 175.800 -0.278 0.000 1.100 202 F CA -0.323 57.498 58.000 -0.297 0.000 1.116 202 F CB 0.672 39.299 39.000 -0.623 0.000 1.166 202 F HN 0.281 nan 8.300 nan 0.000 0.511 203 N N 1.152 119.835 118.700 -0.028 0.000 2.429 203 N HA 0.121 4.862 4.740 0.003 0.000 0.220 203 N C -0.463 175.016 175.510 -0.052 0.000 1.024 203 N CA 0.468 53.493 53.050 -0.042 0.000 1.105 203 N CB 0.061 38.537 38.487 -0.018 0.000 1.376 203 N HN 0.289 nan 8.380 nan 0.000 0.565 204 K N 0.348 120.748 120.400 -0.000 0.000 2.487 204 K HA 0.280 4.602 4.320 0.003 0.000 0.307 204 K C -0.791 175.854 176.600 0.076 0.000 1.160 204 K CA -0.101 56.211 56.287 0.041 0.000 1.087 204 K CB 0.370 32.890 32.500 0.032 0.000 1.390 204 K HN 0.258 nan 8.250 nan 0.000 0.453 205 G N 4.116 112.984 108.800 0.113 0.000 2.568 205 G HA2 0.095 4.057 3.960 0.003 0.000 0.231 205 G HA3 0.095 4.057 3.960 0.003 0.000 0.231 205 G C -1.562 173.345 174.900 0.011 0.000 1.261 205 G CA -0.824 44.284 45.100 0.012 0.000 0.855 205 G HN 0.527 nan 8.290 nan 0.000 0.576 206 P HA 0.036 nan 4.420 nan 0.000 0.222 206 P C -0.040 177.434 177.300 0.289 0.000 1.147 206 P CA 1.347 64.545 63.100 0.162 0.000 0.790 206 P CB 0.107 31.959 31.700 0.254 0.000 0.780 207 W N -2.083 119.255 121.300 0.063 0.000 2.894 207 W HA 0.697 5.359 4.660 0.003 0.000 0.424 207 W C -1.704 174.836 176.519 0.035 0.000 1.072 207 W CA -0.741 56.632 57.345 0.046 0.000 1.194 207 W CB 0.642 30.124 29.460 0.036 0.000 1.471 207 W HN -0.436 nan 8.180 nan 0.000 0.608 208 K N -0.086 120.589 120.400 0.459 0.000 2.809 208 K HA 0.388 4.709 4.320 0.003 0.000 0.293 208 K C -2.053 174.742 176.600 0.325 0.000 1.061 208 K CA -0.673 55.756 56.287 0.236 0.000 0.837 208 K CB 1.544 34.091 32.500 0.078 0.000 1.524 208 K HN 0.518 nan 8.250 nan 0.000 0.370 209 Q N 1.917 121.810 119.800 0.154 0.000 3.402 209 Q HA 0.124 4.466 4.340 0.003 0.000 0.196 209 Q C -0.146 175.930 176.000 0.126 0.000 0.825 209 Q CA -0.055 55.842 55.803 0.158 0.000 0.814 209 Q CB 0.840 29.681 28.738 0.171 0.000 1.454 209 Q HN 0.689 nan 8.270 nan 0.000 0.460 210 E N 1.388 121.670 120.200 0.135 0.000 2.110 210 E HA -0.243 4.109 4.350 0.003 0.000 0.225 210 E C -0.220 176.651 176.600 0.453 0.000 1.063 210 E CA 1.342 57.913 56.400 0.284 0.000 0.906 210 E CB -0.279 29.519 29.700 0.163 0.000 0.795 210 E HN 0.480 nan 8.360 nan 0.000 0.479 211 N N 1.275 120.080 118.700 0.174 0.000 2.457 211 N HA 0.249 4.990 4.740 0.003 0.000 0.250 211 N C -0.446 175.082 175.510 0.030 0.000 0.982 211 N CA -0.035 53.031 53.050 0.026 0.000 0.941 211 N CB 1.991 40.497 38.487 0.031 0.000 1.120 211 N HN 0.119 nan 8.380 nan 0.000 0.505 212 V N -1.044 118.841 119.914 -0.049 0.000 3.102 212 V HA 0.443 4.565 4.120 0.003 0.000 0.312 212 V C 0.384 176.445 176.094 -0.054 0.000 1.135 212 V CA -1.132 61.160 62.300 -0.013 0.000 1.022 212 V CB 2.025 33.830 31.823 -0.029 0.000 1.056 212 V HN 0.410 nan 8.190 nan 0.000 0.436 213 E N 0.977 121.163 120.200 -0.024 0.000 3.691 213 E HA -0.229 4.122 4.350 0.003 0.000 0.274 213 E C 1.573 178.130 176.600 -0.071 0.000 0.807 213 E CA 0.858 57.235 56.400 -0.038 0.000 0.979 213 E CB 0.743 30.425 29.700 -0.030 0.000 0.904 213 E HN 1.171 nan 8.360 nan 0.000 0.568 214 A N 5.689 128.471 122.820 -0.063 0.000 1.971 214 A HA -0.225 4.097 4.320 0.003 0.000 0.222 214 A C 1.140 178.679 177.584 -0.075 0.000 1.182 214 A CA 1.661 53.655 52.037 -0.071 0.000 0.649 214 A CB 0.081 19.052 19.000 -0.049 0.000 0.818 214 A HN 0.537 nan 8.150 nan 0.000 0.458 215 E N -0.844 119.318 120.200 -0.063 0.000 3.167 215 E HA 0.424 4.776 4.350 0.003 0.000 0.210 215 E C -0.240 176.322 176.600 -0.064 0.000 1.004 215 E CA 0.190 56.554 56.400 -0.060 0.000 1.256 215 E CB 0.066 29.742 29.700 -0.041 0.000 1.193 215 E HN 0.502 nan 8.360 nan 0.000 0.448 216 A N 1.256 124.029 122.820 -0.079 0.000 2.524 216 A HA 0.179 4.501 4.320 0.003 0.000 0.250 216 A C 1.268 178.811 177.584 -0.068 0.000 1.078 216 A CA 0.481 52.474 52.037 -0.075 0.000 0.761 216 A CB 0.175 19.118 19.000 -0.095 0.000 1.012 216 A HN 0.253 nan 8.150 nan 0.000 0.500 217 S N 1.660 117.330 115.700 -0.049 0.000 2.593 217 S HA 0.388 4.859 4.470 0.003 0.000 0.235 217 S C 0.314 174.908 174.600 -0.011 0.000 1.059 217 S CA -0.132 58.048 58.200 -0.032 0.000 0.953 217 S CB 0.062 63.244 63.200 -0.029 0.000 0.897 217 S HN 0.638 nan 8.310 nan 0.000 0.507 218 M N 2.014 121.608 119.600 -0.010 0.000 2.326 218 M HA 0.454 4.936 4.480 0.003 0.000 0.292 218 M C -1.743 174.562 176.300 0.008 0.000 1.081 218 M CA -0.508 54.804 55.300 0.021 0.000 0.919 218 M CB 2.796 35.425 32.600 0.048 0.000 1.634 218 M HN -0.166 nan 8.290 nan 0.000 0.451 219 V N 4.803 124.739 119.914 0.037 0.000 2.288 219 V HA 0.353 4.475 4.120 0.003 0.000 0.266 219 V C -0.022 176.103 176.094 0.053 0.000 1.048 219 V CA -0.219 62.107 62.300 0.043 0.000 0.842 219 V CB 0.261 32.121 31.823 0.062 0.000 1.064 219 V HN 0.703 nan 8.190 nan 0.000 0.472 220 I N 4.670 125.222 120.570 -0.030 0.000 2.281 220 I HA 0.407 4.579 4.170 0.003 0.000 0.293 220 I C 0.910 177.040 176.117 0.021 0.000 1.085 220 I CA -0.064 61.167 61.300 -0.115 0.000 1.257 220 I CB 1.025 38.770 38.000 -0.425 0.000 1.430 220 I HN 0.613 nan 8.210 nan 0.000 0.489 221 A N 7.131 130.060 122.820 0.182 0.000 2.362 221 A HA 0.501 4.823 4.320 0.003 0.000 0.276 221 A C -0.093 177.717 177.584 0.376 0.000 1.153 221 A CA -0.288 51.935 52.037 0.311 0.000 0.813 221 A CB 0.380 19.603 19.000 0.371 0.000 1.081 221 A HN 0.477 nan 8.150 nan 0.000 0.507 222 V N 5.604 125.672 119.914 0.257 0.000 2.539 222 V HA 0.289 4.411 4.120 0.003 0.000 0.292 222 V C -1.998 174.069 176.094 -0.045 0.000 1.045 222 V CA -1.387 60.966 62.300 0.089 0.000 0.945 222 V CB 1.432 33.237 31.823 -0.030 0.000 0.993 222 V HN 0.773 nan 8.190 nan 0.000 0.464 223 P HA 0.162 nan 4.420 nan 0.000 0.274 223 P C 0.889 178.125 177.300 -0.107 0.000 1.256 223 P CA -0.360 62.293 63.100 -0.744 0.000 0.795 223 P CB 0.495 31.743 31.700 -0.753 0.000 1.038 224 E N 0.710 120.896 120.200 -0.024 0.000 2.332 224 E HA -0.258 4.094 4.350 0.003 0.000 0.243 224 E C -0.533 176.120 176.600 0.088 0.000 1.088 224 E CA 2.401 58.853 56.400 0.088 0.000 1.048 224 E CB -2.943 26.805 29.700 0.079 0.000 0.911 224 E HN 0.519 nan 8.360 nan 0.000 0.487 225 P HA -0.168 nan 4.420 nan 0.000 0.215 225 P C 1.432 178.667 177.300 -0.108 0.000 1.163 225 P CA 1.663 64.750 63.100 -0.022 0.000 0.894 225 P CB -0.173 31.548 31.700 0.034 0.000 0.791 226 F N -2.296 117.665 119.950 0.018 0.000 2.399 226 F HA 0.399 4.928 4.527 0.003 0.000 0.282 226 F C 1.678 177.546 175.800 0.114 0.000 1.027 226 F CA 0.975 59.003 58.000 0.047 0.000 1.333 226 F CB -0.900 38.091 39.000 -0.016 0.000 1.132 226 F HN -0.014 nan 8.300 nan 0.000 0.590 227 G N -0.252 108.752 108.800 0.340 0.000 2.795 227 G HA2 0.398 4.360 3.960 0.003 0.000 0.664 227 G HA3 0.398 4.360 3.960 0.003 0.000 0.664 227 G C 0.030 175.180 174.900 0.416 0.000 1.381 227 G CA -0.436 44.854 45.100 0.316 0.000 0.853 227 G HN 1.417 nan 8.290 nan 0.000 0.545 228 G N -1.723 107.344 108.800 0.445 0.000 2.707 228 G HA2 0.538 4.500 3.960 0.003 0.000 0.686 228 G HA3 0.538 4.500 3.960 0.003 0.000 0.686 228 G C 0.027 175.249 174.900 0.537 0.000 1.315 228 G CA 0.758 46.192 45.100 0.557 0.000 0.832 228 G HN 2.820 nan 8.290 nan 0.000 0.573 229 A N 0.092 123.239 122.820 0.544 0.000 2.355 229 A HA 0.840 5.162 4.320 0.003 0.000 0.317 229 A C 0.118 177.924 177.584 0.369 0.000 1.094 229 A CA -0.612 51.654 52.037 0.382 0.000 0.764 229 A CB 1.017 20.224 19.000 0.346 0.000 1.230 229 A HN 1.137 nan 8.150 nan 0.000 0.448 230 I N 2.563 123.217 120.570 0.140 0.000 2.488 230 I HA 0.331 4.502 4.170 0.003 0.000 0.299 230 I C -0.610 175.526 176.117 0.031 0.000 0.984 230 I CA -0.638 60.696 61.300 0.057 0.000 1.250 230 I CB 1.431 39.314 38.000 -0.195 0.000 1.389 230 I HN 0.395 nan 8.210 nan 0.000 0.488 231 I N 6.675 127.269 120.570 0.040 0.000 2.390 231 I HA 0.373 4.545 4.170 0.003 0.000 0.283 231 I C 0.079 176.174 176.117 -0.037 0.000 1.016 231 I CA -0.357 60.950 61.300 0.011 0.000 1.151 231 I CB 1.016 39.047 38.000 0.052 0.000 1.293 231 I HN 0.384 nan 8.210 nan 0.000 0.458 232 I N 5.216 125.751 120.570 -0.059 0.000 2.441 232 I HA 0.415 4.587 4.170 0.003 0.000 0.287 232 I C 1.038 177.119 176.117 -0.059 0.000 1.049 232 I CA 0.172 61.429 61.300 -0.072 0.000 1.381 232 I CB 1.536 39.489 38.000 -0.079 0.000 1.409 232 I HN 0.665 nan 8.210 nan 0.000 0.523 233 G N 3.362 112.124 108.800 -0.063 0.000 3.122 233 G HA2 0.212 4.174 3.960 0.003 0.000 0.180 233 G HA3 0.212 4.174 3.960 0.003 0.000 0.180 233 G C 0.094 174.957 174.900 -0.062 0.000 1.279 233 G CA -0.160 44.906 45.100 -0.056 0.000 0.987 233 G HN 0.566 nan 8.290 nan 0.000 0.589 234 Q N -0.957 118.813 119.800 -0.051 0.000 2.396 234 Q HA 0.125 4.467 4.340 0.003 0.000 0.209 234 Q C 1.393 177.364 176.000 -0.050 0.000 0.906 234 Q CA 1.101 56.874 55.803 -0.050 0.000 0.927 234 Q CB 0.285 29.004 28.738 -0.031 0.000 1.069 234 Q HN 0.783 nan 8.270 nan 0.000 0.523 235 E N -2.356 117.820 120.200 -0.040 0.000 2.673 235 E HA 0.193 4.544 4.350 0.003 0.000 0.215 235 E C -0.276 176.308 176.600 -0.027 0.000 0.935 235 E CA -0.206 56.176 56.400 -0.030 0.000 1.341 235 E CB 0.851 30.548 29.700 -0.006 0.000 1.277 235 E HN -0.080 nan 8.360 nan 0.000 0.667 236 S N 0.330 116.011 115.700 -0.032 0.000 2.536 236 S HA 0.622 5.094 4.470 0.003 0.000 0.271 236 S C -1.598 172.981 174.600 -0.036 0.000 1.134 236 S CA -0.645 57.540 58.200 -0.025 0.000 0.897 236 S CB 1.179 64.375 63.200 -0.007 0.000 1.094 236 S HN 0.198 nan 8.310 nan 0.000 0.473 237 I N 3.020 123.567 120.570 -0.038 0.000 2.562 237 I HA 0.585 4.757 4.170 0.003 0.000 0.301 237 I C 0.094 176.181 176.117 -0.049 0.000 1.003 237 I CA -0.037 61.231 61.300 -0.052 0.000 1.127 237 I CB 2.232 40.190 38.000 -0.071 0.000 1.304 237 I HN 0.735 nan 8.210 nan 0.000 0.446 238 T N 2.015 116.528 114.554 -0.069 0.000 2.971 238 T HA 0.522 4.874 4.350 0.003 0.000 0.304 238 T C -1.234 173.359 174.700 -0.177 0.000 1.038 238 T CA -0.711 61.288 62.100 -0.168 0.000 1.007 238 T CB 1.046 69.766 68.868 -0.247 0.000 1.055 238 T HN 0.379 nan 8.240 nan 0.000 0.451 239 Y N 3.521 123.571 120.300 -0.416 0.000 2.352 239 Y HA 0.579 5.131 4.550 0.003 0.000 0.339 239 Y C -0.717 174.872 175.900 -0.517 0.000 0.992 239 Y CA -1.365 56.544 58.100 -0.319 0.000 1.100 239 Y CB 1.188 39.530 38.460 -0.197 0.000 1.192 239 Y HN 0.822 nan 8.280 nan 0.000 0.458 240 H N 5.141 123.889 119.070 -0.536 0.000 2.572 240 H HA 0.306 4.864 4.556 0.003 0.000 0.359 240 H C -0.797 173.946 175.328 -0.974 0.000 1.134 240 H CA -0.849 54.712 56.048 -0.812 0.000 1.187 240 H CB 2.109 31.563 29.762 -0.514 0.000 1.597 240 H HN 0.836 nan 8.280 nan 0.000 0.524 241 N N 1.110 119.221 118.700 -0.983 0.000 2.547 241 N HA 0.177 4.919 4.740 0.003 0.000 0.285 241 N C 0.801 175.850 175.510 -0.767 0.000 1.600 241 N CA 0.501 53.157 53.050 -0.657 0.000 0.872 241 N CB 0.435 38.723 38.487 -0.331 0.000 1.412 241 N HN 0.984 nan 8.380 nan 0.000 0.489 242 G N 1.249 109.092 108.800 -1.595 0.000 4.365 242 G HA2 -0.278 3.683 3.960 0.003 0.000 0.214 242 G HA3 -0.278 3.683 3.960 0.003 0.000 0.214 242 G C -0.069 174.503 174.900 -0.546 0.000 1.450 242 G CA 0.442 44.961 45.100 -0.969 0.000 0.937 242 G HN 0.467 nan 8.290 nan 0.000 0.625 243 D N 1.012 121.208 120.400 -0.340 0.000 2.891 243 D HA 0.565 5.207 4.640 0.003 0.000 0.312 243 D C -0.031 176.149 176.300 -0.201 0.000 1.354 243 D CA 0.038 53.920 54.000 -0.197 0.000 0.838 243 D CB 1.115 41.861 40.800 -0.090 0.000 1.117 243 D HN 0.359 nan 8.370 nan 0.000 0.473 244 K N 0.859 121.068 120.400 -0.319 0.000 2.468 244 K HA 0.485 4.807 4.320 0.003 0.000 0.252 244 K C -2.119 174.283 176.600 -0.330 0.000 0.932 244 K CA -0.906 55.198 56.287 -0.305 0.000 0.794 244 K CB 1.443 33.688 32.500 -0.424 0.000 1.241 244 K HN 0.092 nan 8.250 nan 0.000 0.428 245 Y N 5.592 125.688 120.300 -0.341 0.000 2.298 245 Y HA 0.423 4.975 4.550 0.003 0.000 0.322 245 Y C -1.613 174.147 175.900 -0.233 0.000 1.138 245 Y CA -0.822 57.067 58.100 -0.353 0.000 1.127 245 Y CB 0.862 39.171 38.460 -0.252 0.000 1.178 245 Y HN 0.458 nan 8.280 nan 0.000 0.428 246 L N 4.453 125.746 121.223 0.118 0.000 2.211 246 L HA 1.044 5.386 4.340 0.003 0.000 0.259 246 L C -0.785 176.162 176.870 0.128 0.000 1.031 246 L CA -1.420 53.494 54.840 0.123 0.000 0.877 246 L CB 2.113 44.215 42.059 0.072 0.000 1.457 246 L HN 0.668 nan 8.230 nan 0.000 0.466 247 A N 1.221 124.087 122.820 0.076 0.000 2.580 247 A HA 0.677 4.998 4.320 0.003 0.000 0.301 247 A C -1.513 176.087 177.584 0.027 0.000 1.054 247 A CA -0.414 51.657 52.037 0.056 0.000 0.751 247 A CB 1.123 20.197 19.000 0.123 0.000 1.275 247 A HN 0.668 nan 8.150 nan 0.000 0.403 248 I N -1.576 119.000 120.570 0.009 0.000 2.827 248 I HA 0.897 5.069 4.170 0.003 0.000 0.298 248 I C -0.199 175.917 176.117 -0.001 0.000 1.235 248 I CA -0.934 60.368 61.300 0.004 0.000 1.021 248 I CB 2.519 40.517 38.000 -0.002 0.000 1.259 248 I HN 1.213 nan 8.210 nan 0.000 0.427 249 A N 4.347 127.170 122.820 0.004 0.000 3.258 249 A HA 0.694 5.016 4.320 0.003 0.000 0.318 249 A C -2.674 174.917 177.584 0.012 0.000 0.990 249 A CA -1.251 50.788 52.037 0.004 0.000 0.885 249 A CB -0.444 18.560 19.000 0.007 0.000 1.090 249 A HN 0.582 nan 8.150 nan 0.000 0.479 250 P HA 0.208 nan 4.420 nan 0.000 0.266 250 P C -2.047 175.280 177.300 0.044 0.000 1.215 250 P CA -0.822 62.299 63.100 0.035 0.000 0.763 250 P CB 0.734 32.467 31.700 0.054 0.000 0.806 251 P HA -0.145 nan 4.420 nan 0.000 0.224 251 P C 0.970 178.311 177.300 0.068 0.000 1.142 251 P CA 1.014 64.141 63.100 0.045 0.000 0.778 251 P CB -0.289 31.434 31.700 0.038 0.000 0.764 252 I N -1.855 118.780 120.570 0.107 0.000 2.361 252 I HA -0.198 3.973 4.170 0.003 0.000 0.251 252 I C 1.932 178.188 176.117 0.233 0.000 1.133 252 I CA 1.112 62.533 61.300 0.202 0.000 1.413 252 I CB -0.647 37.536 38.000 0.305 0.000 1.073 252 I HN -0.066 nan 8.210 nan 0.000 0.424 253 I N 0.762 121.383 120.570 0.084 0.000 2.333 253 I HA -0.179 3.993 4.170 0.003 0.000 0.246 253 I C 2.507 178.607 176.117 -0.029 0.000 1.106 253 I CA 1.077 62.330 61.300 -0.078 0.000 1.411 253 I CB -1.189 36.733 38.000 -0.130 0.000 1.082 253 I HN 0.269 nan 8.210 nan 0.000 0.420 254 K N 1.190 121.596 120.400 0.009 0.000 2.090 254 K HA -0.291 4.031 4.320 0.003 0.000 0.218 254 K C 1.939 178.549 176.600 0.017 0.000 1.055 254 K CA 1.912 58.210 56.287 0.019 0.000 0.941 254 K CB -0.332 32.189 32.500 0.034 0.000 0.722 254 K HN 0.355 nan 8.250 nan 0.000 0.458 255 Q N 0.028 119.846 119.800 0.030 0.000 2.028 255 Q HA -0.137 4.205 4.340 0.003 0.000 0.213 255 Q C 1.500 177.512 176.000 0.021 0.000 1.017 255 Q CA 1.520 57.341 55.803 0.030 0.000 0.875 255 Q CB -0.411 28.366 28.738 0.063 0.000 0.962 255 Q HN 0.321 nan 8.270 nan 0.000 0.413 256 S N -2.072 113.634 115.700 0.010 0.000 2.851 256 S HA 0.401 4.872 4.470 0.003 0.000 0.313 256 S C -0.949 173.619 174.600 -0.052 0.000 1.163 256 S CA -0.667 57.529 58.200 -0.006 0.000 0.850 256 S CB 1.748 64.956 63.200 0.014 0.000 1.245 256 S HN 0.154 nan 8.310 nan 0.000 0.558 257 T N 2.405 116.928 114.554 -0.051 0.000 2.909 257 T HA 0.505 4.857 4.350 0.003 0.000 0.286 257 T C -0.352 174.286 174.700 -0.103 0.000 1.002 257 T CA -0.421 61.636 62.100 -0.073 0.000 1.074 257 T CB 0.402 69.242 68.868 -0.047 0.000 0.984 257 T HN 0.388 nan 8.240 nan 0.000 0.495 258 I N 3.451 123.947 120.570 -0.123 0.000 2.396 258 I HA 0.222 4.394 4.170 0.003 0.000 0.292 258 I C 1.199 177.277 176.117 -0.064 0.000 0.999 258 I CA -0.365 60.860 61.300 -0.125 0.000 1.310 258 I CB 1.314 39.223 38.000 -0.151 0.000 1.404 258 I HN 0.558 nan 8.210 nan 0.000 0.496 259 V N 2.090 121.979 119.914 -0.042 0.000 3.382 259 V HA 0.319 4.441 4.120 0.003 0.000 0.296 259 V C 0.111 176.200 176.094 -0.009 0.000 1.529 259 V CA -0.285 61.998 62.300 -0.028 0.000 1.048 259 V CB -0.178 31.616 31.823 -0.047 0.000 0.878 259 V HN 0.852 nan 8.190 nan 0.000 0.442 260 C N -0.049 119.261 119.300 0.015 0.000 3.306 260 C HA 0.953 5.414 4.460 0.003 0.000 0.335 260 C C -0.759 174.295 174.990 0.106 0.000 1.382 260 C CA 0.054 59.085 59.018 0.022 0.000 1.254 260 C CB 1.007 28.733 27.740 -0.024 0.000 1.555 260 C HN 1.042 nan 8.230 nan 0.000 0.463 261 H N 0.286 119.388 119.070 0.053 0.000 2.990 261 H HA 0.863 5.421 4.556 0.003 0.000 0.336 261 H C -1.341 174.050 175.328 0.104 0.000 1.306 261 H CA -0.282 55.824 56.048 0.096 0.000 1.118 261 H CB 1.246 31.089 29.762 0.135 0.000 1.856 261 H HN 1.033 nan 8.280 nan 0.000 0.538 262 N N 0.080 118.993 118.700 0.356 0.000 2.666 262 N HA 0.172 4.914 4.740 0.003 0.000 0.260 262 N C -1.804 173.724 175.510 0.031 0.000 1.077 262 N CA -0.702 52.460 53.050 0.187 0.000 1.026 262 N CB 1.993 40.526 38.487 0.077 0.000 1.653 262 N HN 0.853 nan 8.380 nan 0.000 0.533 263 R N 2.750 123.116 120.500 -0.224 0.000 2.389 263 R HA 0.334 4.676 4.340 0.003 0.000 0.295 263 R C -0.031 176.049 176.300 -0.367 0.000 1.075 263 R CA -0.237 55.347 56.100 -0.860 0.000 1.005 263 R CB 0.585 30.364 30.300 -0.869 0.000 0.987 263 R HN 0.434 nan 8.270 nan 0.000 0.452 264 V N 2.505 122.183 119.914 -0.394 0.000 2.992 264 V HA 0.041 4.163 4.120 0.003 0.000 0.250 264 V C 0.308 176.260 176.094 -0.236 0.000 1.090 264 V CA 0.960 63.062 62.300 -0.329 0.000 1.101 264 V CB -0.219 31.298 31.823 -0.510 0.000 0.743 264 V HN 0.763 nan 8.190 nan 0.000 0.468 265 D N 0.372 120.641 120.400 -0.219 0.000 2.185 265 D HA 0.299 4.941 4.640 0.003 0.000 0.247 265 D C -2.085 174.175 176.300 -0.066 0.000 1.027 265 D CA -1.593 52.345 54.000 -0.103 0.000 0.861 265 D CB 2.166 42.919 40.800 -0.078 0.000 1.202 265 D HN -0.082 nan 8.370 nan 0.000 0.453 266 P HA -0.080 nan 4.420 nan 0.000 0.234 266 P C -0.478 176.823 177.300 0.002 0.000 1.162 266 P CA 1.032 64.145 63.100 0.021 0.000 0.759 266 P CB 0.086 31.817 31.700 0.051 0.000 0.813 267 N N -2.526 116.178 118.700 0.007 0.000 2.371 267 N HA 0.149 4.891 4.740 0.003 0.000 0.280 267 N C -0.263 175.260 175.510 0.022 0.000 1.084 267 N CA -0.760 52.324 53.050 0.058 0.000 0.892 267 N CB 0.544 39.137 38.487 0.176 0.000 1.653 267 N HN -0.207 nan 8.380 nan 0.000 0.480 268 G N 0.742 109.505 108.800 -0.061 0.000 2.118 268 G HA2 0.210 4.172 3.960 0.003 0.000 0.268 268 G HA3 0.210 4.172 3.960 0.003 0.000 0.268 268 G C -0.027 174.470 174.900 -0.671 0.000 1.006 268 G CA 0.405 45.333 45.100 -0.287 0.000 1.066 268 G HN 0.638 nan 8.290 nan 0.000 0.388 269 S N 2.163 117.702 115.700 -0.268 0.000 4.948 269 S HA 0.277 4.749 4.470 0.003 0.000 0.154 269 S C 0.851 175.401 174.600 -0.083 0.000 1.026 269 S CA -0.216 57.878 58.200 -0.176 0.000 1.308 269 S CB 0.433 63.630 63.200 -0.004 0.000 1.915 269 S HN 0.603 nan 8.310 nan 0.000 0.680 270 R N -0.160 120.313 120.500 -0.045 0.000 2.664 270 R HA 0.670 5.012 4.340 0.003 0.000 0.286 270 R C -1.705 174.591 176.300 -0.006 0.000 0.967 270 R CA -0.357 55.733 56.100 -0.017 0.000 0.933 270 R CB 1.432 31.682 30.300 -0.083 0.000 1.146 270 R HN 0.303 nan 8.270 nan 0.000 0.468 271 Y N 0.621 120.858 120.300 -0.106 0.000 2.665 271 Y HA 0.541 5.093 4.550 0.003 0.000 0.336 271 Y C -0.516 175.373 175.900 -0.019 0.000 1.085 271 Y CA -0.874 57.191 58.100 -0.059 0.000 1.096 271 Y CB 1.839 40.252 38.460 -0.078 0.000 1.301 271 Y HN 0.239 nan 8.280 nan 0.000 0.493 272 L N 2.674 124.009 121.223 0.188 0.000 2.410 272 L HA 0.584 4.926 4.340 0.003 0.000 0.270 272 L C -1.446 175.538 176.870 0.190 0.000 0.983 272 L CA -0.590 54.339 54.840 0.147 0.000 0.822 272 L CB 1.819 43.939 42.059 0.102 0.000 1.285 272 L HN 0.351 nan 8.230 nan 0.000 0.409 273 L N 2.083 123.405 121.223 0.165 0.000 2.362 273 L HA 0.718 5.060 4.340 0.003 0.000 0.271 273 L C 0.281 177.219 176.870 0.114 0.000 1.002 273 L CA -0.728 54.187 54.840 0.125 0.000 0.818 273 L CB 2.034 44.120 42.059 0.045 0.000 1.298 273 L HN 0.630 nan 8.230 nan 0.000 0.420 274 G N 0.181 109.016 108.800 0.060 0.000 2.343 274 G HA2 0.400 4.362 3.960 0.003 0.000 0.319 274 G HA3 0.400 4.362 3.960 0.003 0.000 0.319 274 G C -1.250 173.651 174.900 0.001 0.000 1.126 274 G CA -0.210 44.916 45.100 0.043 0.000 0.889 274 G HN 0.635 nan 8.290 nan 0.000 0.457 275 D N 1.654 122.080 120.400 0.044 0.000 2.264 275 D HA 0.161 4.803 4.640 0.003 0.000 0.249 275 D C 1.390 177.681 176.300 -0.014 0.000 1.070 275 D CA -0.615 53.391 54.000 0.010 0.000 0.912 275 D CB 1.182 42.070 40.800 0.147 0.000 1.193 275 D HN 0.251 nan 8.370 nan 0.000 0.427 276 M N 2.045 121.622 119.600 -0.038 0.000 2.722 276 M HA 0.036 4.518 4.480 0.003 0.000 0.238 276 M C 0.375 176.635 176.300 -0.068 0.000 1.098 276 M CA 1.107 56.368 55.300 -0.064 0.000 1.062 276 M CB 0.108 32.673 32.600 -0.058 0.000 1.573 276 M HN 0.520 nan 8.290 nan 0.000 0.531 277 E N -1.188 119.003 120.200 -0.015 0.000 2.945 277 E HA 0.258 4.610 4.350 0.003 0.000 0.196 277 E C 0.630 177.249 176.600 0.032 0.000 0.965 277 E CA 0.495 56.904 56.400 0.014 0.000 1.270 277 E CB 0.513 30.250 29.700 0.063 0.000 1.045 277 E HN 0.554 nan 8.360 nan 0.000 0.474 278 G N 1.109 109.921 108.800 0.019 0.000 2.604 278 G HA2 -0.272 3.690 3.960 0.003 0.000 0.205 278 G HA3 -0.272 3.690 3.960 0.003 0.000 0.205 278 G C 0.279 175.215 174.900 0.059 0.000 1.186 278 G CA -0.223 44.895 45.100 0.029 0.000 0.753 278 G HN 0.221 nan 8.290 nan 0.000 0.526 279 R N 0.115 120.679 120.500 0.106 0.000 2.715 279 R HA 0.270 4.611 4.340 0.003 0.000 0.266 279 R C -0.366 176.051 176.300 0.196 0.000 0.981 279 R CA 0.803 56.996 56.100 0.155 0.000 1.105 279 R CB 0.201 30.734 30.300 0.389 0.000 0.953 279 R HN 0.546 nan 8.270 nan 0.000 0.432 280 L N 2.756 124.046 121.223 0.110 0.000 2.439 280 L HA 0.456 4.798 4.340 0.003 0.000 0.270 280 L C -1.567 175.353 176.870 0.084 0.000 0.972 280 L CA -0.248 54.680 54.840 0.148 0.000 0.836 280 L CB 1.336 43.422 42.059 0.045 0.000 1.255 280 L HN 0.351 nan 8.230 nan 0.000 0.404 281 F N 4.704 124.642 119.950 -0.019 0.000 2.523 281 F HA 0.771 5.300 4.527 0.003 0.000 0.329 281 F C 0.023 175.806 175.800 -0.028 0.000 1.061 281 F CA -0.787 57.193 58.000 -0.033 0.000 0.967 281 F CB 1.969 40.952 39.000 -0.029 0.000 1.218 281 F HN 0.456 nan 8.300 nan 0.000 0.480 282 M N 3.878 123.552 119.600 0.123 0.000 2.106 282 M HA 0.465 4.947 4.480 0.003 0.000 0.288 282 M C -2.216 174.115 176.300 0.051 0.000 0.941 282 M CA -0.402 54.929 55.300 0.053 0.000 0.934 282 M CB 1.322 33.900 32.600 -0.037 0.000 1.551 282 M HN 0.537 nan 8.290 nan 0.000 0.437 283 L N 5.693 126.956 121.223 0.066 0.000 2.272 283 L HA 0.737 5.079 4.340 0.003 0.000 0.289 283 L C -1.958 174.910 176.870 -0.004 0.000 1.032 283 L CA -0.635 54.216 54.840 0.019 0.000 0.810 283 L CB 0.750 42.798 42.059 -0.019 0.000 1.205 283 L HN 0.809 nan 8.230 nan 0.000 0.422 284 L N 5.764 126.967 121.223 -0.034 0.000 2.346 284 L HA 0.468 4.810 4.340 0.003 0.000 0.274 284 L C -0.802 176.016 176.870 -0.086 0.000 1.007 284 L CA -0.454 54.356 54.840 -0.051 0.000 0.818 284 L CB 1.890 43.930 42.059 -0.033 0.000 1.284 284 L HN 0.522 nan 8.230 nan 0.000 0.424 285 L N 0.090 121.231 121.223 -0.135 0.000 2.435 285 L HA 0.515 4.856 4.340 0.003 0.000 0.253 285 L C -0.200 176.633 176.870 -0.061 0.000 1.087 285 L CA -0.753 53.995 54.840 -0.153 0.000 0.950 285 L CB 0.351 42.213 42.059 -0.328 0.000 1.304 285 L HN 0.304 nan 8.230 nan 0.000 0.453 286 E N 3.145 123.346 120.200 0.003 0.000 2.757 286 E HA -0.073 4.279 4.350 0.003 0.000 0.238 286 E C 0.231 176.909 176.600 0.130 0.000 1.057 286 E CA 0.394 56.829 56.400 0.059 0.000 0.952 286 E CB 0.191 29.915 29.700 0.040 0.000 0.934 286 E HN 0.731 nan 8.360 nan 0.000 0.518 287 K N 2.460 122.999 120.400 0.233 0.000 2.185 287 K HA 0.142 4.464 4.320 0.003 0.000 0.245 287 K C 0.319 176.989 176.600 0.118 0.000 1.035 287 K CA -0.151 56.312 56.287 0.293 0.000 0.847 287 K CB 0.749 33.405 32.500 0.259 0.000 1.056 287 K HN 0.421 nan 8.250 nan 0.000 0.518 288 E N 0.583 120.815 120.200 0.054 0.000 2.539 288 E HA 0.016 4.368 4.350 0.003 0.000 0.332 288 E C -1.731 174.862 176.600 -0.013 0.000 0.910 288 E CA -0.349 56.065 56.400 0.023 0.000 0.785 288 E CB 1.226 30.950 29.700 0.039 0.000 1.406 288 E HN 0.606 nan 8.360 nan 0.000 0.391 289 E N 3.487 123.673 120.200 -0.023 0.000 2.360 289 E HA 0.040 4.392 4.350 0.003 0.000 0.269 289 E C 0.592 177.183 176.600 -0.016 0.000 1.022 289 E CA 0.345 56.726 56.400 -0.032 0.000 0.887 289 E CB 0.956 30.638 29.700 -0.030 0.000 0.990 289 E HN 0.503 nan 8.360 nan 0.000 0.426 290 Q N 3.122 122.913 119.800 -0.016 0.000 1.406 290 Q HA -0.030 4.312 4.340 0.003 0.000 0.606 290 Q C 0.678 176.675 176.000 -0.006 0.000 0.922 290 Q CA 0.806 56.604 55.803 -0.008 0.000 0.902 290 Q CB -0.087 28.646 28.738 -0.007 0.000 0.946 290 Q HN 0.608 nan 8.270 nan 0.000 0.350 291 M N -1.962 117.634 119.600 -0.006 0.000 2.054 291 M HA 0.133 4.614 4.480 0.003 0.000 0.386 291 M C -0.332 175.965 176.300 -0.005 0.000 0.824 291 M CA 0.399 55.696 55.300 -0.004 0.000 1.140 291 M CB 1.337 33.936 32.600 -0.002 0.000 2.218 291 M HN 0.412 nan 8.290 nan 0.000 0.752 292 D N -1.521 118.875 120.400 -0.006 0.000 2.564 292 D HA 0.042 4.683 4.640 0.003 0.000 0.648 292 D C 1.149 177.445 176.300 -0.006 0.000 0.720 292 D CA 0.840 54.837 54.000 -0.006 0.000 1.174 292 D CB 0.108 40.906 40.800 -0.003 0.000 1.485 292 D HN 0.294 nan 8.370 nan 0.000 0.334 293 G N 0.389 109.185 108.800 -0.007 0.000 2.605 293 G HA2 0.204 4.166 3.960 0.003 0.000 0.215 293 G HA3 0.204 4.166 3.960 0.003 0.000 0.215 293 G C 0.823 175.716 174.900 -0.011 0.000 1.279 293 G CA 2.419 47.516 45.100 -0.006 0.000 0.831 293 G HN 0.377 nan 8.290 nan 0.000 0.560 294 T N -3.437 111.106 114.554 -0.019 0.000 2.646 294 T HA 0.441 4.793 4.350 0.003 0.000 0.297 294 T C -0.828 173.840 174.700 -0.052 0.000 1.363 294 T CA -0.003 62.077 62.100 -0.033 0.000 1.056 294 T CB 0.927 69.779 68.868 -0.026 0.000 1.779 294 T HN 0.917 nan 8.240 nan 0.000 0.459 295 V N -0.332 119.531 119.914 -0.086 0.000 2.427 295 V HA 0.814 4.935 4.120 0.003 0.000 0.286 295 V C -0.174 175.859 176.094 -0.102 0.000 1.034 295 V CA -0.223 61.995 62.300 -0.136 0.000 0.893 295 V CB 0.724 32.380 31.823 -0.278 0.000 0.982 295 V HN 1.180 nan 8.190 nan 0.000 0.452 296 T N 5.595 120.116 114.554 -0.055 0.000 2.848 296 T HA 0.498 4.850 4.350 0.003 0.000 0.285 296 T C -0.699 174.050 174.700 0.082 0.000 0.995 296 T CA -0.552 61.563 62.100 0.024 0.000 0.970 296 T CB 1.298 70.182 68.868 0.026 0.000 0.976 296 T HN 0.974 nan 8.240 nan 0.000 0.441 297 L N 5.519 126.866 121.223 0.208 0.000 2.410 297 L HA 0.386 4.728 4.340 0.003 0.000 0.273 297 L C 1.010 177.987 176.870 0.178 0.000 1.152 297 L CA -0.262 54.752 54.840 0.290 0.000 0.855 297 L CB 0.489 42.789 42.059 0.402 0.000 1.129 297 L HN 0.622 nan 8.230 nan 0.000 0.463 298 K N 2.952 123.433 120.400 0.135 0.000 2.558 298 K HA 0.091 4.412 4.320 0.003 0.000 0.191 298 K C -0.452 176.190 176.600 0.070 0.000 1.085 298 K CA 0.410 56.748 56.287 0.085 0.000 1.163 298 K CB 0.001 32.540 32.500 0.064 0.000 1.559 298 K HN 0.819 nan 8.250 nan 0.000 0.466 299 D N 0.378 120.806 120.400 0.048 0.000 2.248 299 D HA 0.360 5.002 4.640 0.003 0.000 0.246 299 D C -0.689 175.616 176.300 0.009 0.000 1.027 299 D CA -0.622 53.396 54.000 0.029 0.000 0.853 299 D CB 0.923 41.735 40.800 0.020 0.000 1.243 299 D HN 0.256 nan 8.370 nan 0.000 0.462 300 L N 1.036 122.256 121.223 -0.006 0.000 2.330 300 L HA 0.842 5.184 4.340 0.003 0.000 0.271 300 L C -0.836 176.019 176.870 -0.026 0.000 1.013 300 L CA -1.036 53.781 54.840 -0.038 0.000 0.816 300 L CB 1.840 43.857 42.059 -0.070 0.000 1.287 300 L HN 0.592 nan 8.230 nan 0.000 0.435 301 R N 1.118 121.600 120.500 -0.030 0.000 2.663 301 R HA 0.748 5.090 4.340 0.003 0.000 0.267 301 R C -2.096 174.199 176.300 -0.008 0.000 1.038 301 R CA -0.985 55.106 56.100 -0.015 0.000 0.886 301 R CB 1.859 32.154 30.300 -0.009 0.000 1.249 301 R HN 0.436 nan 8.270 nan 0.000 0.463 302 V N 1.452 121.376 119.914 0.017 0.000 2.417 302 V HA 0.410 4.532 4.120 0.003 0.000 0.291 302 V C -0.412 175.716 176.094 0.057 0.000 1.024 302 V CA -0.571 61.767 62.300 0.064 0.000 0.861 302 V CB 1.440 33.334 31.823 0.120 0.000 0.985 302 V HN 0.747 nan 8.190 nan 0.000 0.436 303 E N 3.616 123.821 120.200 0.007 0.000 2.218 303 E HA 0.403 4.755 4.350 0.003 0.000 0.263 303 E C -1.030 175.425 176.600 -0.242 0.000 0.879 303 E CA -1.028 55.306 56.400 -0.110 0.000 0.762 303 E CB 2.720 32.328 29.700 -0.152 0.000 1.166 303 E HN 0.551 nan 8.360 nan 0.000 0.415 304 L N 3.998 124.986 121.223 -0.391 0.000 2.499 304 L HA 0.007 4.349 4.340 0.003 0.000 0.273 304 L C 0.036 176.610 176.870 -0.494 0.000 1.195 304 L CA 0.754 55.199 54.840 -0.658 0.000 0.882 304 L CB 0.245 41.915 42.059 -0.647 0.000 1.133 304 L HN 0.750 nan 8.230 nan 0.000 0.483 305 L N 4.462 125.435 121.223 -0.417 0.000 2.200 305 L HA 0.460 4.802 4.340 0.003 0.000 0.200 305 L C 1.287 178.089 176.870 -0.114 0.000 1.072 305 L CA 0.617 55.303 54.840 -0.256 0.000 0.787 305 L CB -0.555 41.432 42.059 -0.120 0.000 0.957 305 L HN 0.937 nan 8.230 nan 0.000 0.459 306 G N -0.740 107.973 108.800 -0.146 0.000 2.564 306 G HA2 0.089 4.051 3.960 0.003 0.000 0.139 306 G HA3 0.089 4.051 3.960 0.003 0.000 0.139 306 G C -1.681 173.182 174.900 -0.061 0.000 1.147 306 G CA -0.557 44.498 45.100 -0.074 0.000 1.031 306 G HN -0.036 nan 8.290 nan 0.000 0.482 307 E N 0.036 120.225 120.200 -0.017 0.000 2.248 307 E HA 0.694 5.046 4.350 0.003 0.000 0.267 307 E C 0.397 177.001 176.600 0.006 0.000 0.877 307 E CA 0.065 56.466 56.400 0.001 0.000 0.759 307 E CB 2.108 31.814 29.700 0.010 0.000 1.182 307 E HN 0.844 nan 8.360 nan 0.000 0.418 308 T N -0.440 114.117 114.554 0.006 0.000 2.602 308 T HA 0.550 4.902 4.350 0.003 0.000 0.235 308 T C 0.250 174.939 174.700 -0.018 0.000 0.882 308 T CA -0.565 61.529 62.100 -0.009 0.000 1.123 308 T CB 0.855 69.713 68.868 -0.016 0.000 1.662 308 T HN 0.225 nan 8.240 nan 0.000 0.536 309 S N -0.807 114.867 115.700 -0.043 0.000 2.738 309 S HA 0.593 5.064 4.470 0.003 0.000 0.284 309 S C 0.175 174.739 174.600 -0.060 0.000 1.146 309 S CA -0.948 57.219 58.200 -0.055 0.000 0.997 309 S CB 0.049 63.202 63.200 -0.078 0.000 1.081 309 S HN 0.541 nan 8.310 nan 0.000 0.553 310 I N 2.717 123.243 120.570 -0.074 0.000 2.455 310 I HA 0.111 4.283 4.170 0.003 0.000 0.303 310 I C 0.654 176.711 176.117 -0.100 0.000 1.180 310 I CA -0.295 60.951 61.300 -0.090 0.000 1.469 310 I CB -0.343 37.578 38.000 -0.132 0.000 1.480 310 I HN 0.521 nan 8.210 nan 0.000 0.669 311 A N 5.931 128.700 122.820 -0.085 0.000 2.507 311 A HA -0.003 4.319 4.320 0.003 0.000 0.281 311 A C 1.343 178.873 177.584 -0.091 0.000 1.154 311 A CA 0.116 52.096 52.037 -0.096 0.000 0.828 311 A CB -0.014 18.945 19.000 -0.068 0.000 1.069 311 A HN 0.691 nan 8.150 nan 0.000 0.522 312 E N 1.389 121.527 120.200 -0.104 0.000 2.022 312 E HA -0.040 4.312 4.350 0.003 0.000 0.190 312 E C 0.733 177.286 176.600 -0.078 0.000 0.973 312 E CA 0.744 57.091 56.400 -0.088 0.000 0.816 312 E CB -0.036 29.613 29.700 -0.086 0.000 0.781 312 E HN 0.724 nan 8.360 nan 0.000 0.456 313 c N 0.866 119.414 118.600 -0.086 0.000 2.382 313 c HA 0.603 5.175 4.570 0.003 0.000 0.363 313 c C -0.577 173.463 174.090 -0.083 0.000 1.213 313 c CA -0.606 55.684 56.329 -0.064 0.000 2.363 313 c CB 0.115 42.614 42.510 -0.019 0.000 2.397 313 c HN 0.305 nan 8.230 nan 0.000 0.573 314 L N 3.339 124.537 121.223 -0.042 0.000 2.505 314 L HA 0.611 4.953 4.340 0.003 0.000 0.266 314 L C -0.366 176.529 176.870 0.042 0.000 0.954 314 L CA 0.387 55.216 54.840 -0.019 0.000 0.852 314 L CB 1.999 44.057 42.059 -0.003 0.000 1.282 314 L HN 0.831 nan 8.230 nan 0.000 0.403 315 T N 3.349 117.964 114.554 0.101 0.000 3.172 315 T HA 0.338 4.690 4.350 0.003 0.000 0.320 315 T C -1.564 173.237 174.700 0.168 0.000 1.085 315 T CA -0.318 61.863 62.100 0.136 0.000 1.052 315 T CB 0.431 69.383 68.868 0.140 0.000 1.107 315 T HN 0.360 nan 8.240 nan 0.000 0.458 316 Y N 5.208 125.535 120.300 0.046 0.000 2.304 316 Y HA 0.605 5.157 4.550 0.003 0.000 0.327 316 Y C -0.127 175.793 175.900 0.034 0.000 1.209 316 Y CA -0.249 57.874 58.100 0.038 0.000 1.299 316 Y CB 0.494 38.961 38.460 0.010 0.000 1.249 316 Y HN 0.672 nan 8.280 nan 0.000 0.519 317 L N 1.769 122.437 121.223 -0.926 0.000 3.405 317 L HA 0.456 4.798 4.340 0.003 0.000 0.176 317 L C -0.664 175.619 176.870 -0.979 0.000 1.340 317 L CA -0.323 54.092 54.840 -0.709 0.000 0.975 317 L CB 0.076 41.935 42.059 -0.334 0.000 1.509 317 L HN 0.402 nan 8.230 nan 0.000 0.646 318 D N -1.121 118.886 120.400 -0.656 0.000 2.661 318 D HA 0.292 4.934 4.640 0.003 0.000 0.228 318 D C -0.798 175.455 176.300 -0.079 0.000 1.210 318 D CA -0.386 53.428 54.000 -0.311 0.000 0.826 318 D CB 1.557 42.272 40.800 -0.143 0.000 1.542 318 D HN 0.249 nan 8.370 nan 0.000 0.447 319 N N 0.799 119.555 118.700 0.093 0.000 2.753 319 N HA -0.198 4.544 4.740 0.003 0.000 0.251 319 N C 0.577 176.200 175.510 0.189 0.000 1.097 319 N CA 1.195 54.318 53.050 0.121 0.000 0.786 319 N CB -0.901 37.618 38.487 0.053 0.000 1.137 319 N HN 0.856 nan 8.380 nan 0.000 0.566 320 G N -0.993 108.057 108.800 0.417 0.000 2.212 320 G HA2 -0.254 3.707 3.960 0.003 0.000 0.255 320 G HA3 -0.254 3.707 3.960 0.003 0.000 0.255 320 G C -0.200 174.874 174.900 0.289 0.000 1.062 320 G CA 0.174 45.539 45.100 0.441 0.000 0.815 320 G HN 0.404 nan 8.290 nan 0.000 0.497 321 V N 0.893 120.921 119.914 0.190 0.000 2.293 321 V HA 0.480 4.602 4.120 0.003 0.000 0.275 321 V C 0.642 176.785 176.094 0.082 0.000 1.021 321 V CA -0.766 61.586 62.300 0.086 0.000 0.815 321 V CB 1.583 33.413 31.823 0.012 0.000 1.025 321 V HN 0.304 nan 8.190 nan 0.000 0.448 322 V N 5.514 125.522 119.914 0.156 0.000 2.567 322 V HA 0.406 4.528 4.120 0.003 0.000 0.289 322 V C -0.231 175.959 176.094 0.161 0.000 1.049 322 V CA -0.544 61.857 62.300 0.168 0.000 0.969 322 V CB 1.549 33.471 31.823 0.164 0.000 0.995 322 V HN 0.673 nan 8.190 nan 0.000 0.471 323 F N 5.193 125.154 119.950 0.019 0.000 2.408 323 F HA 0.662 5.191 4.527 0.003 0.000 0.344 323 F C -0.262 175.551 175.800 0.020 0.000 1.112 323 F CA -0.740 57.268 58.000 0.014 0.000 1.096 323 F CB 1.407 40.388 39.000 -0.030 0.000 1.129 323 F HN 0.215 nan 8.300 nan 0.000 0.486 324 V N 5.978 125.393 119.914 -0.831 0.000 2.349 324 V HA 0.432 4.554 4.120 0.003 0.000 0.284 324 V C 0.363 175.906 176.094 -0.919 0.000 1.014 324 V CA -0.741 61.173 62.300 -0.643 0.000 0.826 324 V CB 1.103 32.759 31.823 -0.279 0.000 1.009 324 V HN 1.016 nan 8.190 nan 0.000 0.431 325 G N 2.736 111.068 108.800 -0.779 0.000 2.391 325 G HA2 0.384 4.346 3.960 0.003 0.000 0.305 325 G HA3 0.384 4.346 3.960 0.003 0.000 0.305 325 G C 0.079 174.842 174.900 -0.229 0.000 1.072 325 G CA -0.002 44.820 45.100 -0.463 0.000 1.016 325 G HN 0.609 nan 8.290 nan 0.000 0.418 326 S N 1.244 116.840 115.700 -0.173 0.000 2.616 326 S HA 0.400 4.872 4.470 0.003 0.000 0.277 326 S C 1.315 175.866 174.600 -0.082 0.000 1.234 326 S CA -0.739 57.391 58.200 -0.117 0.000 1.028 326 S CB 1.431 64.573 63.200 -0.096 0.000 0.988 326 S HN 0.713 nan 8.310 nan 0.000 0.522 327 R N 1.584 122.036 120.500 -0.081 0.000 2.369 327 R HA 0.224 4.566 4.340 0.003 0.000 0.210 327 R C -0.104 176.161 176.300 -0.060 0.000 0.881 327 R CA 0.351 56.412 56.100 -0.064 0.000 1.031 327 R CB -0.055 30.202 30.300 -0.071 0.000 1.184 327 R HN 0.567 nan 8.270 nan 0.000 0.581 328 L N -1.002 120.177 121.223 -0.075 0.000 3.267 328 L HA 0.617 4.959 4.340 0.003 0.000 0.289 328 L C 0.086 176.919 176.870 -0.060 0.000 1.260 328 L CA -0.407 54.395 54.840 -0.064 0.000 1.034 328 L CB 0.951 42.958 42.059 -0.087 0.000 1.413 328 L HN 0.103 nan 8.230 nan 0.000 0.594 329 G N -1.725 107.038 108.800 -0.062 0.000 2.600 329 G HA2 0.472 4.434 3.960 0.003 0.000 0.293 329 G HA3 0.472 4.434 3.960 0.003 0.000 0.293 329 G C -1.856 173.015 174.900 -0.048 0.000 1.408 329 G CA -0.624 44.438 45.100 -0.063 0.000 0.782 329 G HN -0.109 nan 8.290 nan 0.000 0.482 330 D N 0.680 121.052 120.400 -0.046 0.000 2.389 330 D HA 0.501 5.143 4.640 0.003 0.000 0.247 330 D C 0.776 177.079 176.300 0.005 0.000 1.128 330 D CA 0.394 54.389 54.000 -0.007 0.000 0.884 330 D CB 1.389 42.174 40.800 -0.024 0.000 1.194 330 D HN 0.224 nan 8.370 nan 0.000 0.441 331 S N 1.224 116.972 115.700 0.080 0.000 2.634 331 S HA 0.466 4.938 4.470 0.003 0.000 0.261 331 S C 0.066 174.758 174.600 0.154 0.000 1.271 331 S CA -0.639 57.582 58.200 0.036 0.000 0.985 331 S CB 0.707 63.951 63.200 0.072 0.000 0.968 331 S HN 0.544 nan 8.310 nan 0.000 0.568 332 Q N -0.549 119.278 119.800 0.044 0.000 2.756 332 Q HA 0.552 4.894 4.340 0.003 0.000 0.295 332 Q C -2.192 173.916 176.000 0.181 0.000 0.903 332 Q CA -0.972 54.905 55.803 0.123 0.000 0.768 332 Q CB 0.537 29.248 28.738 -0.045 0.000 1.472 332 Q HN 0.357 nan 8.270 nan 0.000 0.416 333 L N 1.457 122.772 121.223 0.153 0.000 2.282 333 L HA 0.667 5.008 4.340 0.003 0.000 0.288 333 L C -1.025 175.878 176.870 0.056 0.000 1.033 333 L CA -0.441 54.501 54.840 0.171 0.000 0.807 333 L CB 1.833 43.977 42.059 0.142 0.000 1.209 333 L HN 0.638 nan 8.230 nan 0.000 0.423 334 V N 2.925 122.880 119.914 0.068 0.000 2.864 334 V HA 0.609 4.731 4.120 0.003 0.000 0.314 334 V C -0.521 175.608 176.094 0.059 0.000 1.073 334 V CA -1.111 61.216 62.300 0.044 0.000 0.956 334 V CB 2.173 34.020 31.823 0.040 0.000 1.023 334 V HN 0.602 nan 8.190 nan 0.000 0.435 335 K N 2.208 122.636 120.400 0.047 0.000 2.206 335 K HA 0.599 4.921 4.320 0.003 0.000 0.264 335 K C -1.224 175.416 176.600 0.066 0.000 0.967 335 K CA -0.267 56.052 56.287 0.054 0.000 0.844 335 K CB 1.273 33.791 32.500 0.030 0.000 1.099 335 K HN 0.647 nan 8.250 nan 0.000 0.441 336 L N 4.979 126.256 121.223 0.090 0.000 2.353 336 L HA 0.324 4.666 4.340 0.003 0.000 0.269 336 L C -0.414 176.504 176.870 0.080 0.000 1.085 336 L CA -0.709 54.192 54.840 0.101 0.000 0.938 336 L CB 0.361 42.492 42.059 0.119 0.000 1.312 336 L HN 0.684 nan 8.230 nan 0.000 0.429 337 N N 1.079 119.805 118.700 0.042 0.000 2.407 337 N HA -0.015 4.727 4.740 0.003 0.000 0.250 337 N C 0.990 176.471 175.510 -0.049 0.000 1.236 337 N CA -0.025 53.005 53.050 -0.033 0.000 0.879 337 N CB 1.610 40.032 38.487 -0.110 0.000 1.088 337 N HN 0.347 nan 8.380 nan 0.000 0.450 338 V N -1.800 118.074 119.914 -0.067 0.000 3.471 338 V HA 0.199 4.321 4.120 0.003 0.000 0.258 338 V C 0.056 176.038 176.094 -0.186 0.000 1.192 338 V CA 0.697 62.971 62.300 -0.043 0.000 1.116 338 V CB 0.067 31.891 31.823 0.002 0.000 0.792 338 V HN 0.402 nan 8.190 nan 0.000 0.459 339 D N 2.375 122.638 120.400 -0.228 0.000 2.505 339 D HA 0.216 4.857 4.640 0.003 0.000 0.242 339 D C 0.176 176.265 176.300 -0.351 0.000 1.136 339 D CA 0.250 54.104 54.000 -0.242 0.000 0.954 339 D CB 1.452 42.174 40.800 -0.130 0.000 1.002 339 D HN 0.291 nan 8.370 nan 0.000 0.512 340 S N 3.001 118.335 115.700 -0.610 0.000 3.074 340 S HA -0.120 4.352 4.470 0.003 0.000 0.359 340 S C 0.864 175.320 174.600 -0.240 0.000 1.207 340 S CA -0.284 57.574 58.200 -0.569 0.000 1.061 340 S CB -0.081 62.834 63.200 -0.474 0.000 0.769 340 S HN 0.487 nan 8.310 nan 0.000 0.512 341 N N 3.939 122.538 118.700 -0.169 0.000 2.332 341 N HA 0.059 4.801 4.740 0.003 0.000 0.282 341 N C 0.040 175.514 175.510 -0.059 0.000 1.288 341 N CA -0.438 52.557 53.050 -0.092 0.000 0.949 341 N CB -0.066 38.382 38.487 -0.066 0.000 1.108 341 N HN 0.860 nan 8.380 nan 0.000 0.542 342 E N -1.487 118.690 120.200 -0.039 0.000 2.467 342 E HA -0.129 4.223 4.350 0.003 0.000 0.264 342 E C -0.499 176.091 176.600 -0.017 0.000 1.020 342 E CA 0.067 56.452 56.400 -0.025 0.000 0.945 342 E CB -0.124 29.564 29.700 -0.020 0.000 0.942 342 E HN 0.595 nan 8.360 nan 0.000 0.449 343 Q N 1.009 120.803 119.800 -0.010 0.000 2.481 343 Q HA -0.227 4.114 4.340 0.003 0.000 0.258 343 Q C 0.637 176.644 176.000 0.011 0.000 0.961 343 Q CA 0.497 56.299 55.803 -0.002 0.000 1.121 343 Q CB -2.363 26.372 28.738 -0.005 0.000 1.503 343 Q HN 1.191 nan 8.270 nan 0.000 0.544 344 G N 0.845 109.653 108.800 0.012 0.000 2.412 344 G HA2 -0.326 3.636 3.960 0.003 0.000 0.297 344 G HA3 -0.326 3.636 3.960 0.003 0.000 0.297 344 G C -0.142 174.824 174.900 0.110 0.000 0.965 344 G CA 0.766 45.897 45.100 0.052 0.000 1.134 344 G HN 0.511 nan 8.290 nan 0.000 0.511 345 S N -0.322 115.416 115.700 0.064 0.000 2.461 345 S HA 0.567 5.038 4.470 0.003 0.000 0.322 345 S C 1.269 175.938 174.600 0.114 0.000 1.063 345 S CA -0.694 57.564 58.200 0.097 0.000 1.120 345 S CB 0.411 63.632 63.200 0.035 0.000 0.968 345 S HN 0.297 nan 8.310 nan 0.000 0.467 346 Y N 3.340 123.616 120.300 -0.041 0.000 2.352 346 Y HA 0.062 4.614 4.550 0.003 0.000 0.292 346 Y C 1.234 177.121 175.900 -0.021 0.000 1.136 346 Y CA 0.302 58.384 58.100 -0.030 0.000 1.227 346 Y CB -0.273 38.165 38.460 -0.037 0.000 0.991 346 Y HN 0.405 nan 8.280 nan 0.000 0.545 347 V N 1.889 121.882 119.914 0.132 0.000 2.686 347 V HA 0.309 4.431 4.120 0.003 0.000 0.295 347 V C -0.109 176.007 176.094 0.037 0.000 1.055 347 V CA -0.694 61.647 62.300 0.068 0.000 1.050 347 V CB 0.973 32.820 31.823 0.040 0.000 0.984 347 V HN 0.005 nan 8.190 nan 0.000 0.482 348 V N 1.934 121.864 119.914 0.026 0.000 2.577 348 V HA 0.784 4.906 4.120 0.003 0.000 0.294 348 V C 0.036 176.131 176.094 0.003 0.000 1.052 348 V CA -0.983 61.322 62.300 0.009 0.000 0.891 348 V CB 1.115 32.938 31.823 0.001 0.000 1.017 348 V HN 1.131 nan 8.190 nan 0.000 0.436 349 A N 5.275 128.092 122.820 -0.006 0.000 2.563 349 A HA 0.339 4.661 4.320 0.003 0.000 0.256 349 A C 0.831 178.398 177.584 -0.028 0.000 1.056 349 A CA 0.994 53.019 52.037 -0.020 0.000 0.775 349 A CB 0.169 19.154 19.000 -0.026 0.000 0.973 349 A HN 1.227 nan 8.150 nan 0.000 0.516 350 M N 1.640 121.220 119.600 -0.033 0.000 2.384 350 M HA 0.206 4.688 4.480 0.003 0.000 0.258 350 M C 0.762 177.012 176.300 -0.084 0.000 1.130 350 M CA 1.314 56.591 55.300 -0.039 0.000 1.187 350 M CB 0.216 32.806 32.600 -0.016 0.000 1.307 350 M HN 0.856 nan 8.290 nan 0.000 0.468 351 E N -0.488 119.631 120.200 -0.136 0.000 2.401 351 E HA 0.291 4.643 4.350 0.003 0.000 0.280 351 E C -1.680 174.660 176.600 -0.434 0.000 1.039 351 E CA -0.513 55.726 56.400 -0.268 0.000 0.814 351 E CB 1.835 31.355 29.700 -0.300 0.000 1.275 351 E HN 0.263 nan 8.360 nan 0.000 0.448 352 T N -0.636 113.576 114.554 -0.570 0.000 2.903 352 T HA 0.740 5.092 4.350 0.003 0.000 0.299 352 T C -1.108 173.172 174.700 -0.700 0.000 1.093 352 T CA -0.713 61.043 62.100 -0.573 0.000 1.002 352 T CB 0.648 69.379 68.868 -0.229 0.000 1.127 352 T HN 0.253 nan 8.240 nan 0.000 0.488 353 F N -0.011 119.933 119.950 -0.011 0.000 2.540 353 F HA 0.569 5.098 4.527 0.003 0.000 0.317 353 F C 0.830 176.616 175.800 -0.024 0.000 1.104 353 F CA -1.190 56.803 58.000 -0.012 0.000 0.913 353 F CB 1.173 40.175 39.000 0.002 0.000 1.170 353 F HN 0.580 nan 8.300 nan 0.000 0.450 354 T N 2.444 117.080 114.554 0.137 0.000 2.923 354 T HA -0.030 4.322 4.350 0.003 0.000 0.309 354 T C -0.081 174.650 174.700 0.052 0.000 1.059 354 T CA 0.427 62.556 62.100 0.048 0.000 1.133 354 T CB -0.132 68.741 68.868 0.007 0.000 1.053 354 T HN 0.597 nan 8.240 nan 0.000 0.530 355 N N 2.924 121.630 118.700 0.010 0.000 2.594 355 N HA 0.137 4.879 4.740 0.003 0.000 0.280 355 N C 0.531 176.028 175.510 -0.021 0.000 1.156 355 N CA -0.424 52.628 53.050 0.003 0.000 0.831 355 N CB 0.707 39.195 38.487 0.003 0.000 1.379 355 N HN 0.471 nan 8.380 nan 0.000 0.536 356 L N 0.868 122.079 121.223 -0.020 0.000 2.141 356 L HA 0.107 4.449 4.340 0.003 0.000 0.209 356 L C 1.475 178.333 176.870 -0.020 0.000 1.094 356 L CA 0.917 55.739 54.840 -0.029 0.000 0.763 356 L CB -0.254 41.791 42.059 -0.024 0.000 0.908 356 L HN 0.464 nan 8.230 nan 0.000 0.437 357 G N 0.066 108.861 108.800 -0.009 0.000 2.476 357 G HA2 0.347 4.308 3.960 0.003 0.000 0.286 357 G HA3 0.347 4.308 3.960 0.003 0.000 0.286 357 G C -2.548 172.346 174.900 -0.009 0.000 1.177 357 G CA -0.861 44.239 45.100 -0.001 0.000 0.870 357 G HN -0.076 nan 8.290 nan 0.000 0.528 358 P HA 0.214 nan 4.420 nan 0.000 0.286 358 P C -0.309 177.003 177.300 0.021 0.000 1.269 358 P CA -0.421 62.691 63.100 0.019 0.000 0.787 358 P CB 1.590 33.304 31.700 0.023 0.000 0.920 359 I N 4.762 125.350 120.570 0.031 0.000 2.436 359 I HA -0.021 4.151 4.170 0.003 0.000 0.289 359 I C 1.668 177.808 176.117 0.037 0.000 1.083 359 I CA -0.022 61.292 61.300 0.023 0.000 1.372 359 I CB 0.429 38.448 38.000 0.031 0.000 1.408 359 I HN 0.193 nan 8.210 nan 0.000 0.516 360 V N 4.914 124.844 119.914 0.027 0.000 3.125 360 V HA 0.110 4.232 4.120 0.003 0.000 0.249 360 V C 0.413 176.529 176.094 0.037 0.000 1.113 360 V CA 0.852 63.176 62.300 0.040 0.000 1.106 360 V CB -0.022 31.821 31.823 0.033 0.000 0.768 360 V HN 0.846 nan 8.190 nan 0.000 0.468 361 D N -0.962 119.452 120.400 0.023 0.000 2.694 361 D HA 0.571 5.213 4.640 0.003 0.000 0.260 361 D C -1.090 175.218 176.300 0.013 0.000 1.250 361 D CA -0.464 53.553 54.000 0.028 0.000 0.763 361 D CB 1.586 42.409 40.800 0.039 0.000 1.311 361 D HN 0.127 nan 8.370 nan 0.000 0.420 362 M N -0.278 119.336 119.600 0.022 0.000 2.605 362 M HA 0.560 5.042 4.480 0.003 0.000 0.281 362 M C -1.547 174.771 176.300 0.029 0.000 1.166 362 M CA -0.961 54.341 55.300 0.004 0.000 0.875 362 M CB 1.457 34.058 32.600 0.002 0.000 1.732 362 M HN 0.593 nan 8.290 nan 0.000 0.504 363 C N 0.086 119.394 119.300 0.014 0.000 2.626 363 C HA 0.930 5.392 4.460 0.003 0.000 0.310 363 C C -0.193 174.822 174.990 0.043 0.000 1.191 363 C CA -0.868 58.187 59.018 0.062 0.000 1.517 363 C CB 1.385 29.202 27.740 0.128 0.000 2.102 363 C HN 0.777 nan 8.230 nan 0.000 0.479 364 V N 2.622 122.571 119.914 0.059 0.000 2.465 364 V HA 0.698 4.820 4.120 0.003 0.000 0.279 364 V C 0.152 176.259 176.094 0.022 0.000 1.045 364 V CA 0.155 62.477 62.300 0.035 0.000 0.938 364 V CB 1.201 33.053 31.823 0.048 0.000 0.986 364 V HN 0.940 nan 8.190 nan 0.000 0.467 365 V N 3.857 123.756 119.914 -0.025 0.000 3.087 365 V HA 0.593 4.715 4.120 0.003 0.000 0.306 365 V C -1.526 174.505 176.094 -0.106 0.000 1.187 365 V CA -0.519 61.714 62.300 -0.111 0.000 0.999 365 V CB 2.644 34.308 31.823 -0.266 0.000 1.049 365 V HN 0.910 nan 8.190 nan 0.000 0.431 366 D N 4.185 124.510 120.400 -0.124 0.000 2.607 366 D HA 0.323 4.965 4.640 0.003 0.000 0.318 366 D C 1.329 177.563 176.300 -0.109 0.000 1.212 366 D CA -0.262 53.686 54.000 -0.087 0.000 0.861 366 D CB 0.347 41.120 40.800 -0.046 0.000 1.064 366 D HN 0.489 nan 8.370 nan 0.000 0.500 367 L N 0.385 121.520 121.223 -0.147 0.000 2.054 367 L HA -0.270 4.072 4.340 0.003 0.000 0.220 367 L C 1.567 178.369 176.870 -0.112 0.000 1.081 367 L CA 1.501 56.264 54.840 -0.128 0.000 0.780 367 L CB -0.360 41.642 42.059 -0.094 0.000 0.893 367 L HN 0.227 nan 8.230 nan 0.000 0.438 368 E N -0.400 119.711 120.200 -0.148 0.000 2.418 368 E HA -0.056 4.296 4.350 0.003 0.000 0.197 368 E C 0.564 177.089 176.600 -0.125 0.000 1.026 368 E CA 0.035 56.306 56.400 -0.216 0.000 0.862 368 E CB 0.034 29.530 29.700 -0.341 0.000 0.799 368 E HN 0.222 nan 8.360 nan 0.000 0.518 369 R N -0.561 119.896 120.500 -0.073 0.000 3.953 369 R HA -0.265 4.077 4.340 0.003 0.000 0.340 369 R C 0.728 177.024 176.300 -0.006 0.000 1.195 369 R CA 1.126 57.208 56.100 -0.030 0.000 0.929 369 R CB -2.392 27.896 30.300 -0.021 0.000 1.402 369 R HN 0.514 nan 8.270 nan 0.000 0.540 370 Q N 0.317 120.110 119.800 -0.012 0.000 2.444 370 Q HA 0.161 4.503 4.340 0.003 0.000 0.206 370 Q C 0.962 176.965 176.000 0.004 0.000 0.948 370 Q CA 0.846 56.658 55.803 0.015 0.000 0.946 370 Q CB 0.504 29.264 28.738 0.037 0.000 1.027 370 Q HN 0.413 nan 8.270 nan 0.000 0.513 371 G N 0.917 109.717 108.800 -0.001 0.000 2.212 371 G HA2 -0.249 3.713 3.960 0.003 0.000 0.255 371 G HA3 -0.249 3.713 3.960 0.003 0.000 0.255 371 G C -0.426 174.472 174.900 -0.002 0.000 1.062 371 G CA 0.104 45.204 45.100 0.001 0.000 0.815 371 G HN 0.392 nan 8.290 nan 0.000 0.497 372 Q N -0.142 119.653 119.800 -0.008 0.000 2.650 372 Q HA 0.470 4.811 4.340 0.003 0.000 0.239 372 Q C 0.573 176.566 176.000 -0.013 0.000 0.893 372 Q CA -0.025 55.773 55.803 -0.008 0.000 0.755 372 Q CB 1.187 29.919 28.738 -0.009 0.000 1.349 372 Q HN 0.656 nan 8.270 nan 0.000 0.461 373 G N 1.994 110.790 108.800 -0.007 0.000 2.544 373 G HA2 0.257 4.219 3.960 0.003 0.000 0.242 373 G HA3 0.257 4.219 3.960 0.003 0.000 0.242 373 G C -0.160 174.733 174.900 -0.011 0.000 1.247 373 G CA 0.080 45.173 45.100 -0.011 0.000 0.840 373 G HN 0.484 nan 8.290 nan 0.000 0.578 374 Q N -0.479 119.311 119.800 -0.017 0.000 2.495 374 Q HA 0.672 5.013 4.340 0.003 0.000 0.283 374 Q C -0.909 175.079 176.000 -0.020 0.000 1.097 374 Q CA -0.925 54.868 55.803 -0.015 0.000 0.836 374 Q CB 2.417 31.149 28.738 -0.011 0.000 1.426 374 Q HN 0.348 nan 8.270 nan 0.000 0.459 375 L N 1.421 122.625 121.223 -0.031 0.000 2.343 375 L HA 0.530 4.871 4.340 0.003 0.000 0.278 375 L C -1.205 175.617 176.870 -0.080 0.000 0.996 375 L CA -0.996 53.818 54.840 -0.044 0.000 0.831 375 L CB 1.882 43.918 42.059 -0.039 0.000 1.232 375 L HN 0.368 nan 8.230 nan 0.000 0.413 376 V N 1.682 121.526 119.914 -0.117 0.000 2.398 376 V HA 0.580 4.702 4.120 0.003 0.000 0.286 376 V C 0.297 176.299 176.094 -0.154 0.000 1.026 376 V CA -0.472 61.710 62.300 -0.196 0.000 0.868 376 V CB 1.659 33.225 31.823 -0.430 0.000 0.982 376 V HN 0.845 nan 8.190 nan 0.000 0.443 377 T N 0.805 115.281 114.554 -0.130 0.000 2.876 377 T HA 0.425 4.777 4.350 0.003 0.000 0.289 377 T C -0.505 174.146 174.700 -0.082 0.000 1.014 377 T CA -0.607 61.442 62.100 -0.085 0.000 0.986 377 T CB 1.293 70.126 68.868 -0.059 0.000 1.021 377 T HN 0.579 nan 8.240 nan 0.000 0.458 378 C N 3.640 122.907 119.300 -0.055 0.000 2.442 378 C HA 0.680 5.142 4.460 0.003 0.000 0.362 378 C C 0.842 175.809 174.990 -0.038 0.000 1.242 378 C CA -0.287 58.703 59.018 -0.047 0.000 1.741 378 C CB -1.346 26.378 27.740 -0.027 0.000 2.378 378 C HN 0.951 nan 8.230 nan 0.000 0.549 379 S N 1.665 117.335 115.700 -0.050 0.000 2.648 379 S HA 0.913 5.385 4.470 0.003 0.000 0.305 379 S C 0.333 174.910 174.600 -0.038 0.000 1.094 379 S CA 0.429 58.604 58.200 -0.042 0.000 0.983 379 S CB 1.665 64.830 63.200 -0.058 0.000 1.101 379 S HN 1.492 nan 8.310 nan 0.000 0.514 380 G N 0.453 109.238 108.800 -0.026 0.000 2.796 380 G HA2 0.178 4.139 3.960 0.003 0.000 0.226 380 G HA3 0.178 4.139 3.960 0.003 0.000 0.226 380 G C 0.317 175.228 174.900 0.018 0.000 1.381 380 G CA 0.080 45.168 45.100 -0.020 0.000 0.867 380 G HN 1.222 nan 8.290 nan 0.000 0.552 381 A N -1.877 120.980 122.820 0.061 0.000 2.018 381 A HA 0.770 5.092 4.320 0.003 0.000 0.201 381 A C 1.463 179.263 177.584 0.359 0.000 1.892 381 A CA 1.642 53.807 52.037 0.213 0.000 0.962 381 A CB 0.041 19.184 19.000 0.239 0.000 1.195 381 A HN 0.875 nan 8.150 nan 0.000 0.615 382 F N 0.090 120.005 119.950 -0.058 0.000 2.480 382 F HA 0.338 4.867 4.527 0.003 0.000 0.212 382 F C 2.121 177.895 175.800 -0.044 0.000 1.113 382 F CA 0.532 58.502 58.000 -0.049 0.000 0.970 382 F CB -0.726 38.253 39.000 -0.034 0.000 1.177 382 F HN 0.118 nan 8.300 nan 0.000 0.663 383 K N 0.696 121.235 120.400 0.232 0.000 2.057 383 K HA -0.121 4.201 4.320 0.003 0.000 0.206 383 K C 0.967 177.571 176.600 0.008 0.000 1.050 383 K CA 1.403 57.762 56.287 0.121 0.000 0.935 383 K CB -0.240 32.335 32.500 0.125 0.000 0.715 383 K HN 0.277 nan 8.250 nan 0.000 0.439 384 E N 1.289 121.485 120.200 -0.007 0.000 2.461 384 E HA 0.000 4.352 4.350 0.003 0.000 0.196 384 E C 0.519 177.050 176.600 -0.113 0.000 1.129 384 E CA 0.187 56.534 56.400 -0.089 0.000 0.902 384 E CB -0.571 29.090 29.700 -0.064 0.000 0.963 384 E HN 0.349 nan 8.360 nan 0.000 0.503 385 G N 1.625 110.366 108.800 -0.097 0.000 2.474 385 G HA2 0.187 4.149 3.960 0.003 0.000 0.233 385 G HA3 0.187 4.149 3.960 0.003 0.000 0.233 385 G C 0.142 174.947 174.900 -0.158 0.000 1.278 385 G CA 0.498 45.540 45.100 -0.097 0.000 0.861 385 G HN 0.254 nan 8.290 nan 0.000 0.567 386 S N 0.386 116.017 115.700 -0.116 0.000 2.645 386 S HA 0.556 5.028 4.470 0.003 0.000 0.268 386 S C -1.260 173.281 174.600 -0.099 0.000 1.110 386 S CA -1.104 57.020 58.200 -0.126 0.000 0.823 386 S CB 0.918 64.028 63.200 -0.151 0.000 1.091 386 S HN 0.684 nan 8.310 nan 0.000 0.466 387 L N 0.814 121.971 121.223 -0.110 0.000 2.341 387 L HA 0.752 5.094 4.340 0.003 0.000 0.267 387 L C -0.429 176.343 176.870 -0.164 0.000 1.009 387 L CA -0.947 53.822 54.840 -0.117 0.000 0.819 387 L CB 1.981 43.985 42.059 -0.091 0.000 1.323 387 L HN 0.689 nan 8.230 nan 0.000 0.425 388 R N 2.529 122.930 120.500 -0.165 0.000 2.744 388 R HA 0.663 5.005 4.340 0.003 0.000 0.279 388 R C -1.090 175.094 176.300 -0.193 0.000 0.977 388 R CA -0.711 55.281 56.100 -0.180 0.000 0.906 388 R CB 2.692 32.913 30.300 -0.132 0.000 1.197 388 R HN 0.543 nan 8.270 nan 0.000 0.463 389 I N 3.929 124.372 120.570 -0.211 0.000 2.420 389 I HA 0.341 4.513 4.170 0.003 0.000 0.282 389 I C -0.037 176.002 176.117 -0.130 0.000 1.019 389 I CA -0.856 60.339 61.300 -0.175 0.000 1.130 389 I CB 1.411 39.277 38.000 -0.223 0.000 1.262 389 I HN 0.239 nan 8.210 nan 0.000 0.454 390 I N 5.536 126.052 120.570 -0.090 0.000 2.315 390 I HA 0.493 4.665 4.170 0.003 0.000 0.291 390 I C -0.029 176.068 176.117 -0.033 0.000 1.006 390 I CA -0.290 60.972 61.300 -0.062 0.000 1.265 390 I CB 0.834 38.804 38.000 -0.049 0.000 1.387 390 I HN 0.705 nan 8.210 nan 0.000 0.475 391 R N 4.076 124.571 120.500 -0.008 0.000 2.673 391 R HA 0.380 4.721 4.340 0.003 0.000 0.281 391 R C -0.658 175.662 176.300 0.034 0.000 0.991 391 R CA -0.721 55.387 56.100 0.014 0.000 0.896 391 R CB 1.767 32.084 30.300 0.027 0.000 1.201 391 R HN 0.523 nan 8.270 nan 0.000 0.457 392 N N 0.896 119.607 118.700 0.018 0.000 2.442 392 N HA 0.252 4.994 4.740 0.003 0.000 0.265 392 N C -0.748 174.772 175.510 0.018 0.000 1.138 392 N CA 0.526 53.584 53.050 0.014 0.000 0.956 392 N CB 1.691 40.178 38.487 -0.001 0.000 1.067 392 N HN 0.740 nan 8.380 nan 0.000 0.474 393 G N 1.751 110.563 108.800 0.020 0.000 2.630 393 G HA2 0.589 4.551 3.960 0.003 0.000 0.296 393 G HA3 0.589 4.551 3.960 0.003 0.000 0.296 393 G C -0.543 174.346 174.900 -0.018 0.000 1.285 393 G CA -0.436 44.662 45.100 -0.003 0.000 0.958 393 G HN 0.363 nan 8.290 nan 0.000 0.479 394 I N 0.383 120.935 120.570 -0.030 0.000 2.566 394 I HA 0.588 4.760 4.170 0.003 0.000 0.303 394 I C 1.041 177.118 176.117 -0.066 0.000 0.983 394 I CA -0.254 61.028 61.300 -0.030 0.000 1.235 394 I CB 1.240 39.244 38.000 0.006 0.000 1.386 394 I HN 0.625 nan 8.210 nan 0.000 0.494 395 G N 4.687 113.432 108.800 -0.091 0.000 3.175 395 G HA2 0.760 4.722 3.960 0.003 0.000 0.255 395 G HA3 0.760 4.722 3.960 0.003 0.000 0.255 395 G C -0.996 173.804 174.900 -0.167 0.000 1.352 395 G CA -0.302 44.725 45.100 -0.122 0.000 1.037 395 G HN 0.484 nan 8.290 nan 0.000 0.556 396 I N -1.811 118.643 120.570 -0.193 0.000 2.571 396 I HA 0.422 4.593 4.170 0.003 0.000 0.289 396 I C -1.419 174.577 176.117 -0.202 0.000 1.115 396 I CA -1.524 59.645 61.300 -0.219 0.000 1.045 396 I CB 0.916 38.833 38.000 -0.138 0.000 1.238 396 I HN 0.392 nan 8.210 nan 0.000 0.424 397 H N 4.543 123.589 119.070 -0.041 0.000 2.767 397 H HA 0.253 4.811 4.556 0.003 0.000 0.316 397 H C -0.273 175.039 175.328 -0.026 0.000 1.059 397 H CA 0.194 56.252 56.048 0.017 0.000 1.461 397 H CB 1.474 31.297 29.762 0.102 0.000 1.475 397 H HN 0.652 nan 8.280 nan 0.000 0.531 398 E N 3.772 124.055 120.200 0.138 0.000 2.042 398 E HA 0.059 4.410 4.350 0.003 0.000 0.260 398 E C 0.368 177.051 176.600 0.137 0.000 0.975 398 E CA -0.328 56.101 56.400 0.049 0.000 0.799 398 E CB 0.030 29.741 29.700 0.018 0.000 1.131 398 E HN 0.714 nan 8.360 nan 0.000 0.423 399 H N 2.000 121.033 119.070 -0.061 0.000 2.353 399 H HA -0.036 4.522 4.556 0.003 0.000 0.300 399 H C 0.578 175.858 175.328 -0.079 0.000 1.090 399 H CA 0.693 56.700 56.048 -0.068 0.000 1.327 399 H CB 0.378 30.066 29.762 -0.122 0.000 1.383 399 H HN 0.400 nan 8.280 nan 0.000 0.508 400 A N 0.070 122.875 122.820 -0.025 0.000 2.594 400 A HA 0.533 4.855 4.320 0.003 0.000 0.291 400 A C -1.086 176.466 177.584 -0.053 0.000 1.105 400 A CA -0.496 51.519 52.037 -0.037 0.000 0.694 400 A CB 2.213 21.172 19.000 -0.069 0.000 1.291 400 A HN 0.096 nan 8.150 nan 0.000 0.410 401 S N 0.823 116.513 115.700 -0.018 0.000 2.668 401 S HA 0.619 5.090 4.470 0.003 0.000 0.277 401 S C -0.934 173.667 174.600 0.002 0.000 1.170 401 S CA -0.606 57.584 58.200 -0.016 0.000 0.994 401 S CB 0.238 63.434 63.200 -0.006 0.000 1.051 401 S HN 0.647 nan 8.310 nan 0.000 0.484 402 I N 2.867 123.440 120.570 0.004 0.000 2.947 402 I HA 0.490 4.661 4.170 0.003 0.000 0.314 402 I C 0.169 176.300 176.117 0.024 0.000 1.028 402 I CA -0.932 60.380 61.300 0.021 0.000 1.077 402 I CB 1.495 39.515 38.000 0.033 0.000 1.274 402 I HN 0.673 nan 8.210 nan 0.000 0.485 403 D N 2.354 122.770 120.400 0.027 0.000 2.970 403 D HA 0.274 4.916 4.640 0.003 0.000 0.282 403 D C -0.798 175.523 176.300 0.034 0.000 1.291 403 D CA -0.132 53.883 54.000 0.025 0.000 0.967 403 D CB 0.105 40.913 40.800 0.014 0.000 1.017 403 D HN 0.070 nan 8.370 nan 0.000 0.512 404 L N 3.171 124.434 121.223 0.067 0.000 2.261 404 L HA 0.360 4.701 4.340 0.003 0.000 0.289 404 L C -2.110 174.842 176.870 0.136 0.000 1.059 404 L CA -1.818 53.093 54.840 0.119 0.000 0.816 404 L CB 1.198 43.403 42.059 0.243 0.000 1.191 404 L HN 0.200 nan 8.230 nan 0.000 0.431 405 P HA 0.317 nan 4.420 nan 0.000 0.213 405 P C 0.534 177.923 177.300 0.149 0.000 1.861 405 P CA 0.031 63.186 63.100 0.091 0.000 1.076 405 P CB 0.741 32.461 31.700 0.033 0.000 1.867 406 G N 1.586 110.551 108.800 0.275 0.000 4.106 406 G HA2 -0.074 3.888 3.960 0.003 0.000 0.220 406 G HA3 -0.074 3.888 3.960 0.003 0.000 0.220 406 G C 0.030 175.162 174.900 0.387 0.000 0.853 406 G CA -0.499 44.816 45.100 0.357 0.000 0.920 406 G HN 0.287 nan 8.290 nan 0.000 0.715 407 I N 1.809 122.512 120.570 0.222 0.000 2.906 407 I HA 0.023 4.195 4.170 0.003 0.000 0.301 407 I C 0.796 176.775 176.117 -0.230 0.000 1.221 407 I CA 0.630 61.767 61.300 -0.271 0.000 1.435 407 I CB 0.706 38.590 38.000 -0.194 0.000 1.345 407 I HN -0.112 nan 8.210 nan 0.000 0.558 408 K N 5.115 125.214 120.400 -0.503 0.000 2.537 408 K HA 0.435 4.757 4.320 0.003 0.000 0.206 408 K C 0.069 175.837 176.600 -1.387 0.000 1.041 408 K CA -0.145 55.723 56.287 -0.699 0.000 1.090 408 K CB 1.001 33.376 32.500 -0.208 0.000 0.833 408 K HN 0.886 nan 8.250 nan 0.000 0.493 409 G N 1.058 109.008 108.800 -1.416 0.000 2.301 409 G HA2 0.292 4.254 3.960 0.003 0.000 0.290 409 G HA3 0.292 4.254 3.960 0.003 0.000 0.290 409 G C -1.987 172.052 174.900 -1.435 0.000 1.669 409 G CA -1.168 43.122 45.100 -1.350 0.000 0.945 409 G HN 0.056 nan 8.290 nan 0.000 0.710 410 L N -1.704 118.570 121.223 -1.581 0.000 2.445 410 L HA 0.952 5.294 4.340 0.003 0.000 0.262 410 L C -0.769 175.324 176.870 -1.295 0.000 0.974 410 L CA -1.227 52.846 54.840 -1.277 0.000 0.822 410 L CB 1.772 43.471 42.059 -0.600 0.000 1.339 410 L HN 0.674 nan 8.230 nan 0.000 0.409 411 W N 1.174 122.341 121.300 -0.221 0.000 2.936 411 W HA 0.574 5.236 4.660 0.003 0.000 0.338 411 W C -2.674 173.703 176.519 -0.235 0.000 1.121 411 W CA -1.365 55.825 57.345 -0.258 0.000 1.209 411 W CB 2.516 31.732 29.460 -0.407 0.000 1.420 411 W HN 0.272 nan 8.180 nan 0.000 0.516 412 P HA 0.402 nan 4.420 nan 0.000 0.301 412 P C -0.469 176.659 177.300 -0.286 0.000 1.348 412 P CA -0.058 62.942 63.100 -0.167 0.000 0.826 412 P CB 2.069 33.577 31.700 -0.319 0.000 0.945 413 L N 3.581 124.709 121.223 -0.158 0.000 2.805 413 L HA 0.600 4.942 4.340 0.003 0.000 0.242 413 L C 0.762 177.597 176.870 -0.059 0.000 1.180 413 L CA -1.055 53.711 54.840 -0.122 0.000 1.001 413 L CB 0.743 42.761 42.059 -0.069 0.000 1.864 413 L HN 0.298 nan 8.230 nan 0.000 0.551 414 R N -0.919 119.584 120.500 0.005 0.000 3.101 414 R HA 0.105 4.447 4.340 0.003 0.000 0.242 414 R C 0.410 176.748 176.300 0.063 0.000 1.831 414 R CA 0.035 56.169 56.100 0.057 0.000 1.321 414 R CB 1.009 31.342 30.300 0.055 0.000 1.512 414 R HN 0.593 nan 8.270 nan 0.000 0.568 415 S N 1.487 117.227 115.700 0.067 0.000 2.393 415 S HA -0.254 4.218 4.470 0.003 0.000 0.234 415 S C 0.452 175.089 174.600 0.061 0.000 1.064 415 S CA 2.332 60.572 58.200 0.067 0.000 1.088 415 S CB -0.122 63.113 63.200 0.060 0.000 0.939 415 S HN 0.751 nan 8.310 nan 0.000 0.448 416 D N -1.955 118.479 120.400 0.057 0.000 2.738 416 D HA 0.468 5.109 4.640 0.003 0.000 0.237 416 D C -2.399 173.932 176.300 0.052 0.000 1.123 416 D CA -2.057 51.973 54.000 0.050 0.000 0.856 416 D CB 1.252 42.077 40.800 0.042 0.000 1.552 416 D HN -0.133 nan 8.370 nan 0.000 0.480 417 P HA -0.088 nan 4.420 nan 0.000 0.221 417 P C 0.233 177.561 177.300 0.046 0.000 1.145 417 P CA 0.844 63.973 63.100 0.049 0.000 0.795 417 P CB 0.168 31.895 31.700 0.045 0.000 0.775 418 N N 0.145 118.869 118.700 0.041 0.000 2.030 418 N HA -0.110 4.632 4.740 0.003 0.000 0.194 418 N C 0.589 176.124 175.510 0.041 0.000 1.074 418 N CA 0.958 54.030 53.050 0.036 0.000 0.860 418 N CB -1.199 37.306 38.487 0.031 0.000 1.055 418 N HN 0.155 nan 8.380 nan 0.000 0.429 419 R N 1.350 121.876 120.500 0.043 0.000 2.697 419 R HA 0.012 4.354 4.340 0.003 0.000 0.265 419 R C 0.368 176.706 176.300 0.064 0.000 1.009 419 R CA 0.360 56.489 56.100 0.047 0.000 1.099 419 R CB -0.063 30.264 30.300 0.045 0.000 0.965 419 R HN 0.515 nan 8.270 nan 0.000 0.428 420 E N 0.096 120.335 120.200 0.065 0.000 2.476 420 E HA 0.039 4.391 4.350 0.003 0.000 0.196 420 E C -0.497 176.174 176.600 0.118 0.000 1.029 420 E CA -0.162 56.290 56.400 0.087 0.000 0.896 420 E CB 0.539 30.280 29.700 0.068 0.000 1.012 420 E HN 0.755 nan 8.360 nan 0.000 0.475 421 T N -1.919 112.696 114.554 0.103 0.000 2.888 421 T HA 0.369 4.721 4.350 0.003 0.000 0.284 421 T C 0.019 174.850 174.700 0.218 0.000 1.017 421 T CA -0.847 61.306 62.100 0.089 0.000 1.022 421 T CB 0.637 69.501 68.868 -0.008 0.000 1.013 421 T HN 0.159 nan 8.240 nan 0.000 0.465 422 Y N 1.034 121.354 120.300 0.033 0.000 2.394 422 Y HA 0.229 4.781 4.550 0.003 0.000 0.351 422 Y C 1.528 177.444 175.900 0.028 0.000 1.272 422 Y CA -0.497 57.623 58.100 0.032 0.000 1.508 422 Y CB 0.477 38.957 38.460 0.034 0.000 1.369 422 Y HN 0.885 nan 8.280 nan 0.000 0.639 423 D N -2.294 118.229 120.400 0.205 0.000 2.489 423 D HA 0.069 4.710 4.640 0.003 0.000 0.343 423 D C -0.560 175.799 176.300 0.098 0.000 1.295 423 D CA 0.082 54.150 54.000 0.114 0.000 0.908 423 D CB 0.213 41.059 40.800 0.076 0.000 1.382 423 D HN 0.458 nan 8.370 nan 0.000 0.468 424 T N 0.781 115.402 114.554 0.111 0.000 2.901 424 T HA 0.633 4.984 4.350 0.003 0.000 0.293 424 T C -1.374 173.361 174.700 0.058 0.000 1.084 424 T CA -0.680 61.457 62.100 0.061 0.000 1.008 424 T CB 2.703 71.582 68.868 0.019 0.000 1.170 424 T HN 0.082 nan 8.240 nan 0.000 0.509 425 L N 1.846 123.083 121.223 0.024 0.000 2.596 425 L HA 0.565 4.907 4.340 0.003 0.000 0.265 425 L C -1.472 175.390 176.870 -0.013 0.000 0.962 425 L CA -0.490 54.355 54.840 0.009 0.000 0.891 425 L CB 1.598 43.670 42.059 0.021 0.000 1.248 425 L HN 0.549 nan 8.230 nan 0.000 0.410 426 V N 5.518 125.434 119.914 0.003 0.000 2.407 426 V HA 0.471 4.593 4.120 0.003 0.000 0.278 426 V C -0.320 175.798 176.094 0.039 0.000 1.037 426 V CA -0.490 61.826 62.300 0.026 0.000 0.900 426 V CB 1.386 33.209 31.823 0.001 0.000 0.983 426 V HN 0.498 nan 8.190 nan 0.000 0.459 427 L N 4.284 125.473 121.223 -0.057 0.000 2.298 427 L HA 0.470 4.812 4.340 0.003 0.000 0.284 427 L C 0.320 176.958 176.870 -0.388 0.000 1.013 427 L CA 0.573 55.232 54.840 -0.302 0.000 0.824 427 L CB 1.688 43.556 42.059 -0.317 0.000 1.221 427 L HN 0.721 nan 8.230 nan 0.000 0.418 428 S N 3.173 118.645 115.700 -0.380 0.000 2.554 428 S HA 0.758 5.229 4.470 0.003 0.000 0.278 428 S C -0.481 173.766 174.600 -0.589 0.000 1.242 428 S CA -0.173 57.894 58.200 -0.222 0.000 1.051 428 S CB 0.305 63.580 63.200 0.125 0.000 0.986 428 S HN 0.290 nan 8.310 nan 0.000 0.502 429 F N 2.163 122.140 119.950 0.045 0.000 2.740 429 F HA 0.468 4.996 4.527 0.003 0.000 0.357 429 F C 1.299 177.135 175.800 0.060 0.000 1.141 429 F CA -1.128 56.891 58.000 0.032 0.000 1.044 429 F CB 0.251 39.268 39.000 0.029 0.000 1.430 429 F HN 0.333 nan 8.300 nan 0.000 0.518 430 V N 1.002 121.073 119.914 0.261 0.000 2.305 430 V HA -0.230 3.891 4.120 0.003 0.000 0.207 430 V C 1.592 177.787 176.094 0.169 0.000 0.919 430 V CA 1.933 64.341 62.300 0.180 0.000 1.017 430 V CB -1.190 30.721 31.823 0.146 0.000 0.667 430 V HN 0.924 nan 8.190 nan 0.000 0.500 431 G N 1.844 110.728 108.800 0.139 0.000 3.284 431 G HA2 0.413 4.375 3.960 0.003 0.000 0.251 431 G HA3 0.413 4.375 3.960 0.003 0.000 0.251 431 G C 0.019 174.989 174.900 0.117 0.000 0.913 431 G CA 0.511 45.682 45.100 0.118 0.000 1.947 431 G HN 0.844 nan 8.290 nan 0.000 0.635 432 Q N -1.705 118.183 119.800 0.146 0.000 3.083 432 Q HA 0.363 4.705 4.340 0.003 0.000 0.310 432 Q C -1.523 174.578 176.000 0.168 0.000 0.880 432 Q CA -0.980 54.908 55.803 0.142 0.000 0.809 432 Q CB 0.121 28.944 28.738 0.142 0.000 1.596 432 Q HN 0.060 nan 8.270 nan 0.000 0.487 433 T N 0.004 114.645 114.554 0.146 0.000 2.864 433 T HA 0.846 5.198 4.350 0.003 0.000 0.289 433 T C -1.162 173.630 174.700 0.153 0.000 1.082 433 T CA -0.903 61.272 62.100 0.126 0.000 1.009 433 T CB 1.726 70.626 68.868 0.052 0.000 1.234 433 T HN 0.529 nan 8.240 nan 0.000 0.526 434 R N 0.579 121.151 120.500 0.121 0.000 2.572 434 R HA 0.503 4.844 4.340 0.003 0.000 0.273 434 R C -1.722 174.613 176.300 0.057 0.000 1.168 434 R CA -0.476 55.701 56.100 0.129 0.000 1.021 434 R CB 1.796 32.256 30.300 0.265 0.000 1.249 434 R HN 0.398 nan 8.270 nan 0.000 0.423 435 V N 5.043 124.971 119.914 0.024 0.000 2.509 435 V HA 0.495 4.616 4.120 0.003 0.000 0.284 435 V C 0.001 176.109 176.094 0.022 0.000 1.047 435 V CA -0.528 61.763 62.300 -0.016 0.000 0.952 435 V CB 1.436 33.234 31.823 -0.042 0.000 0.988 435 V HN 0.525 nan 8.190 nan 0.000 0.469 436 L N 5.097 126.332 121.223 0.020 0.000 2.385 436 L HA 0.633 4.975 4.340 0.003 0.000 0.273 436 L C -0.413 176.480 176.870 0.039 0.000 0.990 436 L CA -0.387 54.477 54.840 0.040 0.000 0.821 436 L CB 1.966 44.055 42.059 0.051 0.000 1.279 436 L HN 0.627 nan 8.230 nan 0.000 0.412 437 M N 4.453 124.079 119.600 0.044 0.000 2.268 437 M HA 0.479 4.961 4.480 0.003 0.000 0.344 437 M C -1.356 174.973 176.300 0.049 0.000 1.106 437 M CA -0.606 54.721 55.300 0.044 0.000 1.010 437 M CB 1.328 33.950 32.600 0.037 0.000 1.649 437 M HN 0.507 nan 8.290 nan 0.000 0.443 438 L N 4.839 126.094 121.223 0.054 0.000 2.302 438 L HA 0.286 4.628 4.340 0.003 0.000 0.285 438 L C -0.118 176.753 176.870 0.003 0.000 1.090 438 L CA -0.476 54.391 54.840 0.045 0.000 0.866 438 L CB -0.318 41.780 42.059 0.064 0.000 1.244 438 L HN 0.697 nan 8.230 nan 0.000 0.435 439 N N 2.696 121.394 118.700 -0.004 0.000 2.739 439 N HA 0.243 4.985 4.740 0.003 0.000 0.266 439 N C 1.019 176.494 175.510 -0.057 0.000 1.168 439 N CA 1.144 54.182 53.050 -0.019 0.000 1.055 439 N CB 0.464 38.947 38.487 -0.007 0.000 1.393 439 N HN 0.796 nan 8.380 nan 0.000 0.514 440 G N 2.401 111.151 108.800 -0.085 0.000 5.431 440 G HA2 -0.361 3.601 3.960 0.003 0.000 0.322 440 G HA3 -0.361 3.601 3.960 0.003 0.000 0.322 440 G C 0.502 175.235 174.900 -0.279 0.000 1.370 440 G CA 0.604 45.618 45.100 -0.143 0.000 0.963 440 G HN 0.551 nan 8.290 nan 0.000 0.797 441 E N 0.859 120.914 120.200 -0.242 0.000 2.846 441 E HA 0.358 4.710 4.350 0.003 0.000 0.211 441 E C 0.124 176.674 176.600 -0.085 0.000 0.975 441 E CA 0.208 56.397 56.400 -0.352 0.000 1.211 441 E CB 0.593 30.133 29.700 -0.267 0.000 1.052 441 E HN 0.422 nan 8.360 nan 0.000 0.487 442 E N -0.622 119.557 120.200 -0.036 0.000 2.281 442 E HA 0.458 4.809 4.350 0.003 0.000 0.257 442 E C -1.401 175.236 176.600 0.061 0.000 0.971 442 E CA -0.878 55.541 56.400 0.031 0.000 0.839 442 E CB 2.140 31.848 29.700 0.013 0.000 1.238 442 E HN -0.071 nan 8.360 nan 0.000 0.412 443 V N 2.923 122.876 119.914 0.066 0.000 2.398 443 V HA 0.297 4.419 4.120 0.003 0.000 0.282 443 V C -1.146 174.978 176.094 0.050 0.000 1.014 443 V CA -0.551 61.790 62.300 0.068 0.000 0.838 443 V CB 1.020 32.892 31.823 0.082 0.000 1.018 443 V HN 0.664 nan 8.190 nan 0.000 0.432 444 E N 2.894 123.120 120.200 0.044 0.000 2.238 444 E HA 0.576 4.928 4.350 0.003 0.000 0.267 444 E C -0.674 175.950 176.600 0.040 0.000 0.887 444 E CA -0.912 55.510 56.400 0.037 0.000 0.769 444 E CB 2.692 32.409 29.700 0.028 0.000 1.187 444 E HN 0.530 nan 8.360 nan 0.000 0.416 445 E N 2.707 122.931 120.200 0.039 0.000 2.070 445 E HA 0.103 4.455 4.350 0.003 0.000 0.282 445 E C -0.535 176.089 176.600 0.038 0.000 1.104 445 E CA -0.025 56.401 56.400 0.043 0.000 0.876 445 E CB 0.655 30.382 29.700 0.045 0.000 1.055 445 E HN 0.543 nan 8.360 nan 0.000 0.401 446 T N 3.031 117.608 114.554 0.039 0.000 3.367 446 T HA 0.300 4.652 4.350 0.003 0.000 0.330 446 T C -0.202 174.524 174.700 0.044 0.000 1.269 446 T CA -0.602 61.521 62.100 0.039 0.000 0.912 446 T CB 0.327 69.219 68.868 0.040 0.000 2.087 446 T HN 0.457 nan 8.240 nan 0.000 0.562 447 E N -0.926 119.305 120.200 0.051 0.000 2.388 447 E HA 0.594 4.946 4.350 0.003 0.000 0.280 447 E C -2.351 174.303 176.600 0.091 0.000 1.019 447 E CA -0.561 55.878 56.400 0.065 0.000 0.806 447 E CB 1.217 30.951 29.700 0.056 0.000 1.246 447 E HN 0.278 nan 8.360 nan 0.000 0.443 448 L N 4.226 125.535 121.223 0.144 0.000 2.439 448 L HA 0.384 4.726 4.340 0.003 0.000 0.270 448 L C 0.713 177.707 176.870 0.206 0.000 0.972 448 L CA -0.532 54.443 54.840 0.225 0.000 0.836 448 L CB 1.491 43.799 42.059 0.416 0.000 1.255 448 L HN 0.886 nan 8.230 nan 0.000 0.404 449 M N 3.168 122.826 119.600 0.098 0.000 3.023 449 M HA -0.169 4.313 4.480 0.003 0.000 0.274 449 M C 1.957 178.230 176.300 -0.046 0.000 1.053 449 M CA 2.573 57.886 55.300 0.022 0.000 1.063 449 M CB -1.155 31.442 32.600 -0.005 0.000 1.223 449 M HN 0.768 nan 8.290 nan 0.000 0.530 450 G N -0.970 107.720 108.800 -0.183 0.000 2.550 450 G HA2 -0.217 3.744 3.960 0.003 0.000 0.222 450 G HA3 -0.217 3.744 3.960 0.003 0.000 0.222 450 G C 0.488 175.131 174.900 -0.428 0.000 1.113 450 G CA 0.874 45.746 45.100 -0.379 0.000 0.748 450 G HN 0.399 nan 8.290 nan 0.000 0.585 451 F N -0.818 119.118 119.950 -0.022 0.000 2.375 451 F HA 0.534 5.063 4.527 0.003 0.000 0.313 451 F C 0.607 176.393 175.800 -0.023 0.000 1.176 451 F CA -1.065 56.916 58.000 -0.031 0.000 1.142 451 F CB 1.039 40.017 39.000 -0.037 0.000 1.275 451 F HN -0.115 nan 8.300 nan 0.000 0.544 452 V N -0.456 119.580 119.914 0.203 0.000 3.019 452 V HA 0.468 4.589 4.120 0.003 0.000 0.317 452 V C -0.682 175.469 176.094 0.095 0.000 1.094 452 V CA -0.719 61.641 62.300 0.100 0.000 1.000 452 V CB 1.832 33.687 31.823 0.052 0.000 1.060 452 V HN 0.826 nan 8.190 nan 0.000 0.443 453 D N -1.657 118.785 120.400 0.069 0.000 2.497 453 D HA 0.035 4.677 4.640 0.003 0.000 0.256 453 D C 0.382 176.722 176.300 0.066 0.000 1.273 453 D CA 0.118 54.160 54.000 0.070 0.000 0.812 453 D CB -0.105 40.739 40.800 0.073 0.000 1.190 453 D HN 0.543 nan 8.370 nan 0.000 0.524 454 D N -0.149 120.281 120.400 0.051 0.000 2.328 454 D HA 0.074 4.715 4.640 0.003 0.000 0.221 454 D C 0.424 176.749 176.300 0.042 0.000 1.072 454 D CA 0.147 54.173 54.000 0.045 0.000 0.850 454 D CB 0.227 41.046 40.800 0.032 0.000 0.922 454 D HN 0.099 nan 8.370 nan 0.000 0.516 455 Q N 0.033 119.857 119.800 0.041 0.000 2.552 455 Q HA 0.302 4.644 4.340 0.003 0.000 0.289 455 Q C -0.961 175.069 176.000 0.050 0.000 1.097 455 Q CA -0.648 55.171 55.803 0.027 0.000 0.812 455 Q CB 2.056 30.785 28.738 -0.016 0.000 1.460 455 Q HN 0.136 nan 8.270 nan 0.000 0.452 456 Q N 1.116 120.951 119.800 0.058 0.000 2.372 456 Q HA 0.316 4.658 4.340 0.003 0.000 0.259 456 Q C -0.887 175.184 176.000 0.120 0.000 0.993 456 Q CA -0.128 55.757 55.803 0.136 0.000 0.854 456 Q CB 0.956 29.837 28.738 0.239 0.000 1.231 456 Q HN 0.557 nan 8.270 nan 0.000 0.462 457 T N 3.810 118.423 114.554 0.099 0.000 2.906 457 T HA 0.039 4.391 4.350 0.003 0.000 0.320 457 T C 0.194 175.110 174.700 0.360 0.000 1.088 457 T CA 0.224 62.326 62.100 0.002 0.000 1.120 457 T CB 0.252 68.979 68.868 -0.235 0.000 1.000 457 T HN 0.457 nan 8.240 nan 0.000 0.550 458 F N -0.112 119.764 119.950 -0.123 0.000 2.789 458 F HA 0.508 5.037 4.527 0.003 0.000 0.320 458 F C -0.001 175.830 175.800 0.051 0.000 1.079 458 F CA -0.782 57.267 58.000 0.082 0.000 1.205 458 F CB 0.035 39.100 39.000 0.109 0.000 1.046 458 F HN 0.523 nan 8.300 nan 0.000 0.586 459 F N -0.289 119.376 119.950 -0.476 0.000 2.842 459 F HA 0.493 5.022 4.527 0.003 0.000 0.319 459 F C -1.741 173.439 175.800 -1.034 0.000 1.159 459 F CA -1.444 56.040 58.000 -0.860 0.000 0.902 459 F CB 1.265 40.127 39.000 -0.230 0.000 1.311 459 F HN -0.009 nan 8.300 nan 0.000 0.453 460 C N 1.575 119.612 119.300 -2.106 0.000 3.086 460 C HA 0.906 5.368 4.460 0.003 0.000 0.396 460 C C -0.643 173.686 174.990 -1.101 0.000 1.056 460 C CA -0.153 58.211 59.018 -1.089 0.000 1.078 460 C CB 0.860 28.091 27.740 -0.848 0.000 1.467 460 C HN 2.124 nan 8.230 nan 0.000 0.580 461 G N 2.028 110.589 108.800 -0.398 0.000 2.340 461 G HA2 0.566 4.528 3.960 0.003 0.000 0.299 461 G HA3 0.566 4.528 3.960 0.003 0.000 0.299 461 G C -2.114 172.795 174.900 0.015 0.000 1.291 461 G CA -0.898 44.089 45.100 -0.188 0.000 0.841 461 G HN 0.992 nan 8.290 nan 0.000 0.500 462 N N 0.711 119.427 118.700 0.026 0.000 2.415 462 N HA 0.469 5.210 4.740 0.003 0.000 0.246 462 N C 0.752 176.301 175.510 0.064 0.000 1.078 462 N CA -0.284 52.794 53.050 0.047 0.000 0.942 462 N CB 1.818 40.320 38.487 0.026 0.000 1.140 462 N HN 0.727 nan 8.380 nan 0.000 0.501 463 V N -0.076 119.872 119.914 0.057 0.000 3.613 463 V HA 0.810 4.932 4.120 0.003 0.000 0.283 463 V C 0.785 176.873 176.094 -0.010 0.000 1.052 463 V CA -1.200 61.114 62.300 0.023 0.000 0.937 463 V CB 0.090 31.914 31.823 0.003 0.000 1.241 463 V HN 0.525 nan 8.190 nan 0.000 0.429 464 A N -1.020 121.746 122.820 -0.091 0.000 2.366 464 A HA 0.492 4.813 4.320 0.003 0.000 0.249 464 A C 0.454 177.990 177.584 -0.080 0.000 1.084 464 A CA 0.397 52.350 52.037 -0.140 0.000 0.794 464 A CB -1.013 17.768 19.000 -0.364 0.000 1.034 464 A HN 1.554 nan 8.150 nan 0.000 0.491 465 H N -0.715 118.369 119.070 0.023 0.000 2.819 465 H HA -0.136 4.421 4.556 0.003 0.000 0.323 465 H C -0.319 175.023 175.328 0.024 0.000 1.243 465 H CA 0.221 56.285 56.048 0.027 0.000 1.163 465 H CB -1.657 28.125 29.762 0.032 0.000 1.493 465 H HN 0.842 nan 8.280 nan 0.000 0.434 466 Q N -0.699 119.181 119.800 0.133 0.000 2.423 466 Q HA -0.230 4.111 4.340 0.003 0.000 0.332 466 Q C -0.518 175.524 176.000 0.070 0.000 1.355 466 Q CA 1.604 57.458 55.803 0.084 0.000 0.947 466 Q CB -0.673 28.106 28.738 0.068 0.000 1.189 466 Q HN 0.755 nan 8.270 nan 0.000 0.418 467 Q N -0.535 119.302 119.800 0.062 0.000 2.397 467 Q HA 0.692 5.034 4.340 0.003 0.000 0.275 467 Q C -0.974 175.051 176.000 0.041 0.000 1.090 467 Q CA -1.203 54.623 55.803 0.038 0.000 0.809 467 Q CB 1.686 30.441 28.738 0.029 0.000 1.362 467 Q HN 0.094 nan 8.270 nan 0.000 0.431 468 L N 1.747 122.992 121.223 0.038 0.000 2.334 468 L HA 0.517 4.859 4.340 0.003 0.000 0.275 468 L C -0.714 176.197 176.870 0.068 0.000 1.036 468 L CA -0.505 54.397 54.840 0.103 0.000 0.807 468 L CB 1.419 43.613 42.059 0.225 0.000 1.231 468 L HN 0.535 nan 8.230 nan 0.000 0.438 469 I N 2.737 123.394 120.570 0.145 0.000 2.533 469 I HA 0.361 4.532 4.170 0.003 0.000 0.290 469 I C -1.117 175.126 176.117 0.210 0.000 1.056 469 I CA -0.420 60.955 61.300 0.124 0.000 1.057 469 I CB 1.871 39.938 38.000 0.112 0.000 1.240 469 I HN 0.723 nan 8.210 nan 0.000 0.423 470 Q N 8.241 128.156 119.800 0.192 0.000 2.347 470 Q HA 0.529 4.870 4.340 0.003 0.000 0.265 470 Q C -1.645 174.388 176.000 0.055 0.000 1.024 470 Q CA -0.573 55.332 55.803 0.170 0.000 0.731 470 Q CB 1.411 30.409 28.738 0.433 0.000 1.245 470 Q HN 0.616 nan 8.270 nan 0.000 0.472 471 I N 3.598 124.181 120.570 0.022 0.000 2.353 471 I HA 0.404 4.576 4.170 0.003 0.000 0.293 471 I C 0.518 176.555 176.117 -0.134 0.000 0.992 471 I CA -0.336 60.961 61.300 -0.004 0.000 1.268 471 I CB 1.450 39.495 38.000 0.076 0.000 1.387 471 I HN 0.663 nan 8.210 nan 0.000 0.478 472 T N 0.022 114.423 114.554 -0.254 0.000 2.626 472 T HA 0.269 4.621 4.350 0.003 0.000 0.279 472 T C 0.954 175.207 174.700 -0.745 0.000 0.983 472 T CA -0.097 61.690 62.100 -0.521 0.000 1.059 472 T CB 1.169 69.877 68.868 -0.267 0.000 1.396 472 T HN 0.492 nan 8.240 nan 0.000 0.519 473 S N 0.393 115.632 115.700 -0.768 0.000 2.402 473 S HA 0.033 4.505 4.470 0.003 0.000 0.229 473 S C 2.284 176.769 174.600 -0.193 0.000 1.021 473 S CA 0.782 58.691 58.200 -0.485 0.000 0.974 473 S CB -1.066 62.010 63.200 -0.206 0.000 0.800 473 S HN 1.007 nan 8.310 nan 0.000 0.484 474 A N 1.558 124.287 122.820 -0.151 0.000 1.903 474 A HA 0.413 4.735 4.320 0.003 0.000 0.213 474 A C 1.244 178.800 177.584 -0.047 0.000 1.185 474 A CA 0.914 52.906 52.037 -0.075 0.000 0.628 474 A CB -0.226 18.737 19.000 -0.062 0.000 0.830 474 A HN 0.878 nan 8.150 nan 0.000 0.446 475 S N -2.709 112.966 115.700 -0.042 0.000 2.611 475 S HA 0.431 4.902 4.470 0.003 0.000 0.270 475 S C -0.832 173.792 174.600 0.040 0.000 1.131 475 S CA -0.124 58.096 58.200 0.033 0.000 0.826 475 S CB 0.747 63.950 63.200 0.005 0.000 1.095 475 S HN 1.485 nan 8.310 nan 0.000 0.461 476 V N 0.724 120.712 119.914 0.123 0.000 2.644 476 V HA 0.839 4.960 4.120 0.003 0.000 0.295 476 V C -0.689 175.445 176.094 0.066 0.000 1.053 476 V CA -0.393 61.957 62.300 0.082 0.000 0.987 476 V CB 1.042 32.917 31.823 0.088 0.000 1.006 476 V HN 0.997 nan 8.190 nan 0.000 0.472 477 R N 4.705 125.221 120.500 0.027 0.000 2.574 477 R HA 0.608 4.950 4.340 0.003 0.000 0.288 477 R C -1.592 174.675 176.300 -0.055 0.000 1.004 477 R CA -0.779 55.309 56.100 -0.020 0.000 0.895 477 R CB 1.937 32.201 30.300 -0.060 0.000 1.191 477 R HN 0.707 nan 8.270 nan 0.000 0.444 478 L N 3.013 124.201 121.223 -0.058 0.000 2.325 478 L HA 0.612 4.954 4.340 0.003 0.000 0.279 478 L C -0.829 175.957 176.870 -0.140 0.000 1.054 478 L CA -0.443 54.355 54.840 -0.070 0.000 0.804 478 L CB 1.929 43.975 42.059 -0.022 0.000 1.200 478 L HN 0.416 nan 8.230 nan 0.000 0.436 479 V N 1.899 121.714 119.914 -0.165 0.000 3.130 479 V HA 0.681 4.803 4.120 0.003 0.000 0.310 479 V C -0.584 175.450 176.094 -0.100 0.000 1.158 479 V CA -0.626 61.550 62.300 -0.206 0.000 1.029 479 V CB 2.487 34.038 31.823 -0.454 0.000 1.057 479 V HN 0.888 nan 8.190 nan 0.000 0.436 480 S N 1.189 116.842 115.700 -0.077 0.000 2.593 480 S HA 0.544 5.016 4.470 0.003 0.000 0.297 480 S C -0.008 174.589 174.600 -0.005 0.000 1.112 480 S CA -0.756 57.430 58.200 -0.024 0.000 1.043 480 S CB 2.136 65.326 63.200 -0.016 0.000 1.054 480 S HN 0.623 nan 8.310 nan 0.000 0.516 481 Q N 1.613 121.424 119.800 0.018 0.000 1.669 481 Q HA -0.049 4.293 4.340 0.003 0.000 0.410 481 Q C 1.845 177.860 176.000 0.025 0.000 0.936 481 Q CA 1.423 57.245 55.803 0.031 0.000 0.895 481 Q CB -0.934 27.828 28.738 0.040 0.000 0.941 481 Q HN 0.937 nan 8.270 nan 0.000 0.409 482 E N 1.206 121.421 120.200 0.024 0.000 2.136 482 E HA -0.202 4.150 4.350 0.003 0.000 0.202 482 E C -0.724 175.884 176.600 0.014 0.000 1.019 482 E CA 1.874 58.286 56.400 0.020 0.000 0.819 482 E CB -1.743 27.968 29.700 0.018 0.000 0.739 482 E HN 0.414 nan 8.360 nan 0.000 0.458 483 P HA 0.053 nan 4.420 nan 0.000 0.222 483 P C -0.510 176.789 177.300 -0.000 0.000 1.157 483 P CA 0.450 63.551 63.100 0.003 0.000 0.816 483 P CB 0.303 32.003 31.700 -0.001 0.000 0.813 484 K N -0.456 119.943 120.400 -0.003 0.000 3.974 484 K HA -0.048 4.273 4.320 0.003 0.000 0.280 484 K C -0.861 175.721 176.600 -0.030 0.000 0.949 484 K CA 0.716 56.998 56.287 -0.010 0.000 0.817 484 K CB -1.784 30.723 32.500 0.012 0.000 1.535 484 K HN 0.314 nan 8.250 nan 0.000 0.444 485 A N 1.193 123.981 122.820 -0.053 0.000 2.609 485 A HA 0.673 4.994 4.320 0.003 0.000 0.291 485 A C -1.375 176.150 177.584 -0.098 0.000 1.096 485 A CA -0.708 51.289 52.037 -0.067 0.000 0.684 485 A CB 0.837 19.812 19.000 -0.041 0.000 1.282 485 A HN 0.611 nan 8.150 nan 0.000 0.412 486 L N 1.621 122.781 121.223 -0.106 0.000 2.534 486 L HA 0.397 4.739 4.340 0.003 0.000 0.271 486 L C 0.832 177.658 176.870 -0.074 0.000 1.178 486 L CA 1.107 55.879 54.840 -0.115 0.000 0.907 486 L CB 0.860 42.859 42.059 -0.100 0.000 1.164 486 L HN 1.276 nan 8.230 nan 0.000 0.482 487 V N 1.860 121.734 119.914 -0.067 0.000 3.253 487 V HA 0.571 4.693 4.120 0.003 0.000 0.320 487 V C 0.201 176.284 176.094 -0.018 0.000 1.442 487 V CA 0.600 62.880 62.300 -0.035 0.000 1.097 487 V CB -0.217 31.594 31.823 -0.020 0.000 1.008 487 V HN 0.933 nan 8.190 nan 0.000 0.463 488 S N 0.258 115.944 115.700 -0.023 0.000 2.714 488 S HA 0.360 4.831 4.470 0.003 0.000 0.297 488 S C -1.644 172.958 174.600 0.003 0.000 0.993 488 S CA -0.175 58.025 58.200 0.001 0.000 0.844 488 S CB 1.318 64.532 63.200 0.024 0.000 1.043 488 S HN 0.737 nan 8.310 nan 0.000 0.457 489 E N 3.423 123.635 120.200 0.019 0.000 2.448 489 E HA 0.212 4.564 4.350 0.003 0.000 0.288 489 E C -0.996 175.644 176.600 0.067 0.000 0.936 489 E CA -0.490 55.930 56.400 0.033 0.000 0.809 489 E CB 0.605 30.297 29.700 -0.013 0.000 1.408 489 E HN 0.609 nan 8.360 nan 0.000 0.393 490 W N 4.460 125.726 121.300 -0.057 0.000 1.741 490 W HA 0.302 4.964 4.660 0.003 0.000 0.363 490 W C -0.203 176.261 176.519 -0.093 0.000 1.564 490 W CA 0.663 57.965 57.345 -0.071 0.000 1.688 490 W CB 0.578 29.999 29.460 -0.064 0.000 1.382 490 W HN 0.477 nan 8.180 nan 0.000 0.725 491 K N 1.260 121.133 120.400 -0.877 0.000 2.675 491 K HA -0.017 4.304 4.320 0.003 0.000 0.280 491 K C -1.472 174.095 176.600 -1.722 0.000 0.993 491 K CA -0.822 54.986 56.287 -0.798 0.000 0.863 491 K CB 1.174 33.394 32.500 -0.467 0.000 1.438 491 K HN 0.328 nan 8.250 nan 0.000 0.389 492 E N 3.633 123.312 120.200 -0.867 0.000 2.217 492 E HA 0.117 4.468 4.350 0.003 0.000 0.279 492 E C -2.033 174.250 176.600 -0.529 0.000 1.068 492 E CA -1.771 54.219 56.400 -0.683 0.000 0.882 492 E CB 1.142 30.754 29.700 -0.148 0.000 1.039 492 E HN 0.273 nan 8.360 nan 0.000 0.418 493 P HA -0.226 nan 4.420 nan 0.000 0.226 493 P C 0.036 177.212 177.300 -0.207 0.000 1.154 493 P CA 1.626 64.530 63.100 -0.326 0.000 0.901 493 P CB 0.269 31.840 31.700 -0.214 0.000 0.788 494 Q N -2.732 116.979 119.800 -0.149 0.000 2.206 494 Q HA 0.585 4.926 4.340 0.003 0.000 0.265 494 Q C 0.673 176.624 176.000 -0.081 0.000 0.866 494 Q CA 0.290 56.037 55.803 -0.094 0.000 1.073 494 Q CB -0.375 28.334 28.738 -0.049 0.000 1.165 494 Q HN 0.145 nan 8.270 nan 0.000 0.465 495 A N -0.928 121.825 122.820 -0.112 0.000 3.153 495 A HA -0.308 4.014 4.320 0.003 0.000 0.265 495 A C 0.277 177.834 177.584 -0.046 0.000 1.212 495 A CA 1.138 53.126 52.037 -0.082 0.000 1.018 495 A CB -1.682 17.282 19.000 -0.061 0.000 1.130 495 A HN 0.336 nan 8.150 nan 0.000 0.873 496 K N -0.039 120.341 120.400 -0.033 0.000 2.276 496 K HA 0.317 4.639 4.320 0.003 0.000 0.259 496 K C 0.155 176.771 176.600 0.027 0.000 1.001 496 K CA 0.135 56.429 56.287 0.012 0.000 0.927 496 K CB 0.115 32.642 32.500 0.044 0.000 0.969 496 K HN 0.562 nan 8.250 nan 0.000 0.490 497 N N 0.506 119.237 118.700 0.052 0.000 2.489 497 N HA 0.268 5.010 4.740 0.003 0.000 0.284 497 N C -0.756 174.825 175.510 0.118 0.000 1.158 497 N CA -0.624 52.464 53.050 0.062 0.000 0.965 497 N CB 0.609 39.130 38.487 0.057 0.000 1.195 497 N HN 0.251 nan 8.380 nan 0.000 0.506 498 I N 0.685 121.325 120.570 0.117 0.000 2.588 498 I HA 0.038 4.209 4.170 0.003 0.000 0.283 498 I C 1.091 177.388 176.117 0.301 0.000 1.119 498 I CA 0.715 62.129 61.300 0.190 0.000 1.419 498 I CB 0.768 38.851 38.000 0.139 0.000 1.394 498 I HN 0.579 nan 8.210 nan 0.000 0.562 499 S N 3.398 119.263 115.700 0.274 0.000 2.517 499 S HA 0.272 4.744 4.470 0.003 0.000 0.228 499 S C 0.373 175.123 174.600 0.251 0.000 1.060 499 S CA 0.063 58.416 58.200 0.254 0.000 0.937 499 S CB 0.466 63.751 63.200 0.141 0.000 0.840 499 S HN 0.355 nan 8.310 nan 0.000 0.546 500 V N 0.974 121.014 119.914 0.209 0.000 2.823 500 V HA 0.885 5.007 4.120 0.003 0.000 0.312 500 V C -0.882 175.317 176.094 0.174 0.000 1.072 500 V CA -0.782 61.614 62.300 0.160 0.000 0.937 500 V CB 1.578 33.464 31.823 0.105 0.000 1.013 500 V HN 0.375 nan 8.190 nan 0.000 0.430 501 A N 2.114 125.030 122.820 0.161 0.000 2.488 501 A HA 0.863 5.185 4.320 0.003 0.000 0.298 501 A C -0.634 176.958 177.584 0.014 0.000 1.044 501 A CA -0.348 51.754 52.037 0.109 0.000 0.693 501 A CB 2.160 21.275 19.000 0.192 0.000 1.272 501 A HN 0.780 nan 8.150 nan 0.000 0.402 502 S N -0.287 115.366 115.700 -0.079 0.000 2.798 502 S HA 0.890 5.361 4.470 0.003 0.000 0.312 502 S C -0.520 173.884 174.600 -0.327 0.000 1.122 502 S CA 0.123 58.215 58.200 -0.179 0.000 0.949 502 S CB 1.512 64.633 63.200 -0.131 0.000 1.235 502 S HN 2.379 nan 8.310 nan 0.000 0.552 503 C N 1.304 120.344 119.300 -0.434 0.000 2.854 503 C HA 0.565 5.027 4.460 0.003 0.000 0.317 503 C C -2.197 172.542 174.990 -0.419 0.000 1.273 503 C CA -0.084 58.645 59.018 -0.482 0.000 1.203 503 C CB -0.173 27.121 27.740 -0.743 0.000 1.308 503 C HN 1.395 nan 8.230 nan 0.000 0.468 504 N N -0.203 118.361 118.700 -0.226 0.000 3.501 504 N HA 0.339 5.081 4.740 0.003 0.000 0.235 504 N C 0.449 175.942 175.510 -0.029 0.000 1.442 504 N CA 0.224 53.224 53.050 -0.083 0.000 0.872 504 N CB 0.491 38.933 38.487 -0.075 0.000 1.414 504 N HN 1.731 nan 8.380 nan 0.000 0.485 505 S N 0.259 115.965 115.700 0.009 0.000 2.425 505 S HA -0.368 4.104 4.470 0.003 0.000 0.256 505 S C 1.598 176.165 174.600 -0.056 0.000 1.101 505 S CA 3.141 61.339 58.200 -0.003 0.000 1.188 505 S CB -1.423 61.779 63.200 0.005 0.000 1.085 505 S HN 1.163 nan 8.310 nan 0.000 0.439 506 S N 0.658 116.316 115.700 -0.069 0.000 2.460 506 S HA 0.281 4.753 4.470 0.003 0.000 0.226 506 S C 0.843 175.381 174.600 -0.103 0.000 1.057 506 S CA -0.392 57.742 58.200 -0.110 0.000 0.948 506 S CB -0.297 62.853 63.200 -0.085 0.000 0.822 506 S HN 0.717 nan 8.310 nan 0.000 0.512 507 Q N 0.085 119.841 119.800 -0.073 0.000 2.240 507 Q HA 0.814 5.156 4.340 0.003 0.000 0.260 507 Q C -1.517 174.439 176.000 -0.073 0.000 1.018 507 Q CA -0.838 54.941 55.803 -0.040 0.000 0.898 507 Q CB 2.299 30.985 28.738 -0.086 0.000 1.301 507 Q HN 0.173 nan 8.270 nan 0.000 0.469 508 V N 0.829 120.724 119.914 -0.032 0.000 2.817 508 V HA 0.477 4.598 4.120 0.003 0.000 0.303 508 V C -1.419 174.650 176.094 -0.040 0.000 1.151 508 V CA -0.699 61.556 62.300 -0.075 0.000 0.929 508 V CB 2.334 34.113 31.823 -0.073 0.000 1.030 508 V HN 0.514 nan 8.190 nan 0.000 0.427 509 V N 5.041 124.903 119.914 -0.086 0.000 2.638 509 V HA 0.797 4.919 4.120 0.003 0.000 0.306 509 V C -0.484 175.585 176.094 -0.042 0.000 1.052 509 V CA -0.645 61.636 62.300 -0.033 0.000 0.885 509 V CB 2.017 33.809 31.823 -0.052 0.000 0.999 509 V HN 0.841 nan 8.190 nan 0.000 0.424 510 V N 1.880 121.781 119.914 -0.021 0.000 3.040 510 V HA 1.081 5.203 4.120 0.003 0.000 0.312 510 V C -0.334 175.813 176.094 0.089 0.000 1.115 510 V CA -0.438 61.870 62.300 0.014 0.000 0.998 510 V CB 2.111 33.917 31.823 -0.029 0.000 1.042 510 V HN 1.356 nan 8.190 nan 0.000 0.433 511 A N 2.322 125.214 122.820 0.121 0.000 2.384 511 A HA 0.944 5.265 4.320 0.003 0.000 0.312 511 A C -0.986 176.720 177.584 0.203 0.000 1.113 511 A CA -0.703 51.414 52.037 0.132 0.000 0.779 511 A CB 2.157 21.195 19.000 0.063 0.000 1.307 511 A HN 1.672 nan 8.150 nan 0.000 0.436 512 V N 2.155 122.200 119.914 0.217 0.000 2.445 512 V HA 0.573 4.695 4.120 0.003 0.000 0.283 512 V C 0.948 177.122 176.094 0.133 0.000 1.014 512 V CA 0.412 62.846 62.300 0.224 0.000 0.852 512 V CB 0.174 32.218 31.823 0.369 0.000 1.021 512 V HN 2.209 nan 8.190 nan 0.000 0.435 513 G N 5.674 114.519 108.800 0.074 0.000 2.629 513 G HA2 -0.337 3.625 3.960 0.003 0.000 0.313 513 G HA3 -0.337 3.625 3.960 0.003 0.000 0.313 513 G C 0.931 175.837 174.900 0.011 0.000 1.217 513 G CA 1.087 46.197 45.100 0.017 0.000 0.994 513 G HN 0.622 nan 8.290 nan 0.000 0.549 514 R N 1.168 121.671 120.500 0.006 0.000 2.161 514 R HA 0.444 4.786 4.340 0.003 0.000 0.213 514 R C 1.768 178.053 176.300 -0.025 0.000 1.055 514 R CA 0.641 56.733 56.100 -0.014 0.000 0.996 514 R CB -0.223 30.063 30.300 -0.024 0.000 0.901 514 R HN 0.802 nan 8.270 nan 0.000 0.456 515 A N 1.969 124.798 122.820 0.015 0.000 2.548 515 A HA 0.130 4.452 4.320 0.003 0.000 0.247 515 A C -0.377 177.143 177.584 -0.107 0.000 1.067 515 A CA 0.140 52.161 52.037 -0.026 0.000 0.757 515 A CB 0.102 19.151 19.000 0.082 0.000 0.996 515 A HN 0.170 nan 8.150 nan 0.000 0.504 516 L N 4.802 125.878 121.223 -0.245 0.000 2.401 516 L HA 0.554 4.896 4.340 0.003 0.000 0.263 516 L C -1.337 175.461 176.870 -0.120 0.000 1.004 516 L CA -0.339 54.373 54.840 -0.214 0.000 0.881 516 L CB 0.353 42.192 42.059 -0.366 0.000 1.219 516 L HN 0.614 nan 8.230 nan 0.000 0.441 517 Y N 3.273 123.689 120.300 0.193 0.000 2.354 517 Y HA 0.397 4.949 4.550 0.003 0.000 0.322 517 Y C -0.455 175.580 175.900 0.225 0.000 1.253 517 Y CA -0.272 57.962 58.100 0.223 0.000 1.272 517 Y CB 0.924 39.355 38.460 -0.048 0.000 1.255 517 Y HN 0.529 nan 8.280 nan 0.000 0.500 518 Y N 2.811 123.244 120.300 0.221 0.000 2.391 518 Y HA 0.705 5.257 4.550 0.003 0.000 0.341 518 Y C -1.875 173.987 175.900 -0.064 0.000 0.965 518 Y CA -1.235 56.910 58.100 0.075 0.000 1.067 518 Y CB 0.988 39.472 38.460 0.041 0.000 1.199 518 Y HN 0.506 nan 8.280 nan 0.000 0.450 519 L N 5.790 127.191 121.223 0.297 0.000 2.370 519 L HA 0.525 4.866 4.340 0.003 0.000 0.266 519 L C -0.864 176.050 176.870 0.072 0.000 1.002 519 L CA -1.013 53.808 54.840 -0.031 0.000 0.818 519 L CB 2.387 44.356 42.059 -0.150 0.000 1.325 519 L HN 0.653 nan 8.230 nan 0.000 0.418 520 Q N 1.742 121.500 119.800 -0.070 0.000 2.257 520 Q HA 0.609 4.951 4.340 0.003 0.000 0.262 520 Q C -1.130 174.750 176.000 -0.200 0.000 0.997 520 Q CA -0.796 54.955 55.803 -0.088 0.000 0.873 520 Q CB 3.285 31.955 28.738 -0.114 0.000 1.312 520 Q HN 0.497 nan 8.270 nan 0.000 0.450 521 I N 2.634 122.993 120.570 -0.351 0.000 2.354 521 I HA 0.290 4.461 4.170 0.003 0.000 0.292 521 I C -0.262 175.498 176.117 -0.596 0.000 0.989 521 I CA -0.269 60.833 61.300 -0.331 0.000 1.188 521 I CB 0.606 38.471 38.000 -0.224 0.000 1.342 521 I HN 0.521 nan 8.210 nan 0.000 0.457 522 H N 5.591 124.629 119.070 -0.055 0.000 2.949 522 H HA 0.355 4.913 4.556 0.003 0.000 0.310 522 H C -1.998 173.428 175.328 0.163 0.000 1.405 522 H CA -1.675 54.403 56.048 0.050 0.000 1.253 522 H CB 0.583 30.396 29.762 0.086 0.000 1.932 522 H HN 0.174 nan 8.280 nan 0.000 0.602 523 P HA -0.213 nan 4.420 nan 0.000 0.216 523 P C 0.235 177.624 177.300 0.148 0.000 1.151 523 P CA 2.259 65.525 63.100 0.275 0.000 0.953 523 P CB 0.293 32.085 31.700 0.153 0.000 0.789 524 Q N -1.840 118.022 119.800 0.103 0.000 2.106 524 Q HA 0.214 4.555 4.340 0.003 0.000 0.273 524 Q C -0.618 175.416 176.000 0.057 0.000 0.853 524 Q CA -0.025 55.813 55.803 0.059 0.000 1.118 524 Q CB 0.292 29.051 28.738 0.035 0.000 1.240 524 Q HN 0.415 nan 8.270 nan 0.000 0.445 525 E N -1.194 119.058 120.200 0.086 0.000 2.392 525 E HA 0.518 4.870 4.350 0.003 0.000 0.279 525 E C -1.299 175.362 176.600 0.102 0.000 0.964 525 E CA -0.849 55.602 56.400 0.085 0.000 0.777 525 E CB 1.200 30.951 29.700 0.085 0.000 1.249 525 E HN 0.018 nan 8.360 nan 0.000 0.449 526 L N 2.511 123.793 121.223 0.098 0.000 2.335 526 L HA 0.462 4.803 4.340 0.003 0.000 0.268 526 L C 0.046 176.995 176.870 0.131 0.000 1.037 526 L CA -0.615 54.287 54.840 0.102 0.000 0.895 526 L CB 0.784 42.918 42.059 0.125 0.000 1.266 526 L HN 0.502 nan 8.230 nan 0.000 0.439 527 R N 2.122 122.701 120.500 0.132 0.000 2.347 527 R HA 0.070 4.412 4.340 0.003 0.000 0.304 527 R C 0.318 176.639 176.300 0.036 0.000 1.072 527 R CA -0.078 56.087 56.100 0.108 0.000 0.980 527 R CB 0.643 31.040 30.300 0.161 0.000 0.986 527 R HN 0.479 nan 8.270 nan 0.000 0.448 528 Q N 6.396 126.233 119.800 0.062 0.000 3.150 528 Q HA 0.047 4.389 4.340 0.003 0.000 0.297 528 Q C 0.956 176.910 176.000 -0.076 0.000 1.382 528 Q CA -0.421 55.406 55.803 0.040 0.000 1.059 528 Q CB 0.294 29.185 28.738 0.255 0.000 1.559 528 Q HN 0.696 nan 8.270 nan 0.000 0.548 529 I N -0.118 120.274 120.570 -0.297 0.000 2.182 529 I HA -0.272 3.900 4.170 0.003 0.000 0.248 529 I C 1.195 177.135 176.117 -0.294 0.000 1.073 529 I CA 1.318 62.369 61.300 -0.415 0.000 1.335 529 I CB -1.099 36.347 38.000 -0.924 0.000 1.031 529 I HN 0.395 nan 8.210 nan 0.000 0.420 530 S N -2.086 113.478 115.700 -0.227 0.000 2.636 530 S HA 0.564 5.036 4.470 0.003 0.000 0.268 530 S C -1.341 173.371 174.600 0.188 0.000 1.159 530 S CA -0.617 57.537 58.200 -0.078 0.000 0.815 530 S CB 1.489 64.511 63.200 -0.297 0.000 1.130 530 S HN 0.525 nan 8.310 nan 0.000 0.471 531 H N -0.396 118.747 119.070 0.121 0.000 3.064 531 H HA 0.777 5.334 4.556 0.003 0.000 0.352 531 H C -1.294 174.165 175.328 0.218 0.000 1.260 531 H CA 0.001 56.169 56.048 0.201 0.000 1.160 531 H CB 1.710 31.563 29.762 0.151 0.000 1.879 531 H HN 0.651 nan 8.280 nan 0.000 0.544 532 T N 2.319 116.566 114.554 -0.512 0.000 2.749 532 T HA 0.310 4.661 4.350 0.003 0.000 0.310 532 T C -1.425 173.051 174.700 -0.373 0.000 1.496 532 T CA -0.892 60.910 62.100 -0.497 0.000 1.006 532 T CB 1.857 70.752 68.868 0.044 0.000 1.457 532 T HN 0.620 nan 8.240 nan 0.000 0.497 533 E N 1.229 121.284 120.200 -0.241 0.000 2.234 533 E HA 0.478 4.829 4.350 0.003 0.000 0.266 533 E C -0.771 175.747 176.600 -0.136 0.000 0.877 533 E CA -0.846 55.474 56.400 -0.134 0.000 0.758 533 E CB 1.290 30.956 29.700 -0.057 0.000 1.170 533 E HN 0.343 nan 8.360 nan 0.000 0.415 534 M N 1.819 121.340 119.600 -0.133 0.000 2.359 534 M HA 0.178 4.659 4.480 0.003 0.000 0.322 534 M C 1.273 177.481 176.300 -0.153 0.000 1.166 534 M CA 0.100 55.321 55.300 -0.132 0.000 1.067 534 M CB 0.685 33.221 32.600 -0.107 0.000 1.523 534 M HN 0.648 nan 8.290 nan 0.000 0.467 535 E N 0.533 120.596 120.200 -0.229 0.000 2.110 535 E HA -0.149 4.203 4.350 0.003 0.000 0.193 535 E C -0.148 176.086 176.600 -0.611 0.000 0.988 535 E CA 1.217 57.356 56.400 -0.434 0.000 0.804 535 E CB 0.407 29.761 29.700 -0.576 0.000 0.745 535 E HN 0.493 nan 8.360 nan 0.000 0.458 536 H N -0.438 118.639 119.070 0.011 0.000 2.797 536 H HA 0.277 4.835 4.556 0.003 0.000 0.362 536 H C -0.296 175.049 175.328 0.029 0.000 1.183 536 H CA -0.779 55.289 56.048 0.034 0.000 1.197 536 H CB 0.713 30.523 29.762 0.080 0.000 1.835 536 H HN 0.064 nan 8.280 nan 0.000 0.567 537 E N 0.883 121.175 120.200 0.154 0.000 2.418 537 E HA 0.164 4.516 4.350 0.003 0.000 0.261 537 E C -0.152 176.535 176.600 0.146 0.000 1.070 537 E CA -0.180 56.241 56.400 0.035 0.000 0.931 537 E CB 1.013 30.592 29.700 -0.202 0.000 0.954 537 E HN 0.119 nan 8.360 nan 0.000 0.439 538 V N 1.065 121.039 119.914 0.099 0.000 2.743 538 V HA 0.328 4.450 4.120 0.003 0.000 0.301 538 V C 0.694 176.933 176.094 0.242 0.000 1.057 538 V CA 0.252 62.636 62.300 0.139 0.000 1.006 538 V CB 1.379 33.232 31.823 0.050 0.000 1.024 538 V HN 0.894 nan 8.190 nan 0.000 0.473 539 A N 1.685 124.656 122.820 0.253 0.000 2.548 539 A HA 0.530 4.852 4.320 0.003 0.000 0.236 539 A C 0.364 178.035 177.584 0.146 0.000 1.246 539 A CA 0.556 52.766 52.037 0.289 0.000 0.993 539 A CB 0.158 19.340 19.000 0.304 0.000 1.209 539 A HN 1.068 nan 8.150 nan 0.000 0.570 540 C N -1.660 117.696 119.300 0.093 0.000 3.289 540 C HA 0.740 5.201 4.460 0.003 0.000 0.354 540 C C -1.165 173.840 174.990 0.024 0.000 1.201 540 C CA -1.201 57.852 59.018 0.058 0.000 1.199 540 C CB 0.166 27.937 27.740 0.052 0.000 1.511 540 C HN 0.296 nan 8.230 nan 0.000 0.506 541 L N 1.279 122.509 121.223 0.012 0.000 2.415 541 L HA 0.838 5.179 4.340 0.003 0.000 0.256 541 L C -1.169 175.686 176.870 -0.024 0.000 1.010 541 L CA -0.113 54.714 54.840 -0.021 0.000 0.826 541 L CB 2.096 44.133 42.059 -0.036 0.000 1.405 541 L HN 0.911 nan 8.230 nan 0.000 0.410 542 D N 1.817 122.189 120.400 -0.046 0.000 2.688 542 D HA 0.301 4.943 4.640 0.003 0.000 0.210 542 D C -0.714 175.544 176.300 -0.071 0.000 1.333 542 D CA -0.237 53.734 54.000 -0.049 0.000 0.920 542 D CB 1.952 42.739 40.800 -0.021 0.000 1.554 542 D HN 0.594 nan 8.370 nan 0.000 0.579 543 I N 0.441 120.954 120.570 -0.094 0.000 3.816 543 I HA 0.242 4.414 4.170 0.003 0.000 0.334 543 I C 0.285 176.347 176.117 -0.092 0.000 1.551 543 I CA -0.396 60.840 61.300 -0.107 0.000 1.153 543 I CB 0.394 38.304 38.000 -0.150 0.000 1.197 543 I HN -0.002 nan 8.210 nan 0.000 0.439 544 T N 6.125 120.638 114.554 -0.068 0.000 2.866 544 T HA 0.091 4.443 4.350 0.003 0.000 0.293 544 T C -2.021 172.647 174.700 -0.052 0.000 1.005 544 T CA -0.064 62.007 62.100 -0.048 0.000 1.162 544 T CB 0.096 68.947 68.868 -0.029 0.000 0.968 544 T HN 0.385 nan 8.240 nan 0.000 0.530 545 P HA 0.417 nan 4.420 nan 0.000 0.276 545 P C -0.574 176.703 177.300 -0.039 0.000 1.244 545 P CA -0.435 62.637 63.100 -0.047 0.000 0.801 545 P CB 1.060 32.740 31.700 -0.034 0.000 1.006 546 L N 0.089 121.276 121.223 -0.060 0.000 2.225 546 L HA 0.651 4.992 4.340 0.003 0.000 0.257 546 L C 1.302 178.147 176.870 -0.041 0.000 1.101 546 L CA -0.682 54.122 54.840 -0.059 0.000 1.073 546 L CB 0.299 42.251 42.059 -0.179 0.000 1.627 546 L HN 0.643 nan 8.230 nan 0.000 0.518 547 G N 0.832 109.629 108.800 -0.006 0.000 2.586 547 G HA2 -0.346 3.616 3.960 0.003 0.000 0.308 547 G HA3 -0.346 3.616 3.960 0.003 0.000 0.308 547 G C 0.283 175.218 174.900 0.059 0.000 1.317 547 G CA 0.652 45.794 45.100 0.070 0.000 0.922 547 G HN 0.970 nan 8.290 nan 0.000 0.551 548 D N -0.099 120.332 120.400 0.052 0.000 2.378 548 D HA 0.082 4.724 4.640 0.003 0.000 0.222 548 D C 1.480 177.796 176.300 0.026 0.000 0.980 548 D CA 1.121 55.145 54.000 0.040 0.000 0.907 548 D CB -0.401 40.422 40.800 0.038 0.000 0.899 548 D HN 0.697 nan 8.370 nan 0.000 0.527 549 S N 0.013 115.721 115.700 0.013 0.000 2.525 549 S HA -0.166 4.306 4.470 0.003 0.000 0.282 549 S C 0.371 174.978 174.600 0.012 0.000 1.324 549 S CA -0.186 58.017 58.200 0.004 0.000 1.025 549 S CB 0.057 63.249 63.200 -0.014 0.000 0.820 549 S HN 0.322 nan 8.310 nan 0.000 0.514 550 N N 1.596 120.303 118.700 0.012 0.000 3.044 550 N HA 0.255 4.997 4.740 0.003 0.000 0.254 550 N C 0.966 176.483 175.510 0.012 0.000 1.253 550 N CA 0.686 53.746 53.050 0.018 0.000 0.944 550 N CB -0.157 38.344 38.487 0.024 0.000 1.217 550 N HN 0.959 nan 8.380 nan 0.000 0.498 551 G N 1.348 110.153 108.800 0.007 0.000 2.284 551 G HA2 -0.308 3.654 3.960 0.003 0.000 0.268 551 G HA3 -0.308 3.654 3.960 0.003 0.000 0.268 551 G C -0.002 174.888 174.900 -0.017 0.000 0.980 551 G CA 0.561 45.659 45.100 -0.002 0.000 0.631 551 G HN 0.452 nan 8.290 nan 0.000 0.548 552 L N 1.409 122.624 121.223 -0.013 0.000 2.265 552 L HA 0.651 4.993 4.340 0.003 0.000 0.289 552 L C 0.668 177.517 176.870 -0.035 0.000 1.033 552 L CA -0.065 54.763 54.840 -0.020 0.000 0.814 552 L CB 1.933 43.992 42.059 0.001 0.000 1.203 552 L HN 0.137 nan 8.230 nan 0.000 0.423 553 S N 4.334 119.998 115.700 -0.060 0.000 2.513 553 S HA 0.432 4.904 4.470 0.003 0.000 0.276 553 S C -1.749 172.804 174.600 -0.078 0.000 1.254 553 S CA -1.118 57.037 58.200 -0.075 0.000 1.053 553 S CB 0.991 64.134 63.200 -0.096 0.000 0.958 553 S HN 0.415 nan 8.310 nan 0.000 0.491 554 P HA 0.222 nan 4.420 nan 0.000 0.235 554 P C -0.627 176.640 177.300 -0.056 0.000 1.177 554 P CA 0.424 63.494 63.100 -0.050 0.000 0.785 554 P CB 0.141 31.817 31.700 -0.041 0.000 0.885 555 L N -1.638 119.544 121.223 -0.069 0.000 2.313 555 L HA 0.620 4.962 4.340 0.003 0.000 0.268 555 L C -0.246 176.582 176.870 -0.070 0.000 1.010 555 L CA -1.138 53.666 54.840 -0.059 0.000 0.814 555 L CB 1.782 43.803 42.059 -0.063 0.000 1.304 555 L HN -0.239 nan 8.230 nan 0.000 0.441 556 C N 1.749 121.020 119.300 -0.048 0.000 2.571 556 C HA 0.786 5.248 4.460 0.003 0.000 0.343 556 C C 0.487 175.438 174.990 -0.065 0.000 1.082 556 C CA -0.563 58.420 59.018 -0.059 0.000 1.339 556 C CB -0.189 27.535 27.740 -0.027 0.000 1.893 556 C HN 0.933 nan 8.230 nan 0.000 0.445 557 A N 5.207 127.986 122.820 -0.068 0.000 2.386 557 A HA 0.782 5.104 4.320 0.003 0.000 0.246 557 A C -0.356 177.187 177.584 -0.067 0.000 1.089 557 A CA -0.029 51.968 52.037 -0.068 0.000 0.790 557 A CB 0.381 19.349 19.000 -0.052 0.000 1.042 557 A HN 1.481 nan 8.150 nan 0.000 0.497 558 I N -1.200 119.331 120.570 -0.065 0.000 2.793 558 I HA 0.571 4.743 4.170 0.003 0.000 0.295 558 I C -0.507 175.587 176.117 -0.039 0.000 1.610 558 I CA -0.271 60.997 61.300 -0.053 0.000 0.986 558 I CB 1.989 39.941 38.000 -0.080 0.000 1.402 558 I HN 0.954 nan 8.210 nan 0.000 0.500 559 G N 6.333 115.128 108.800 -0.009 0.000 2.732 559 G HA2 0.662 4.624 3.960 0.003 0.000 0.295 559 G HA3 0.662 4.624 3.960 0.003 0.000 0.295 559 G C -1.725 173.203 174.900 0.046 0.000 1.456 559 G CA -0.487 44.612 45.100 -0.002 0.000 1.050 559 G HN 0.533 nan 8.290 nan 0.000 0.525 560 L N 0.341 121.599 121.223 0.059 0.000 2.332 560 L HA 0.513 4.854 4.340 0.003 0.000 0.269 560 L C 0.245 177.217 176.870 0.171 0.000 1.016 560 L CA -1.040 53.894 54.840 0.157 0.000 0.809 560 L CB 1.927 44.087 42.059 0.168 0.000 1.280 560 L HN 0.611 nan 8.230 nan 0.000 0.447 561 W N -0.109 121.206 121.300 0.024 0.000 3.388 561 W HA 0.177 4.839 4.660 0.003 0.000 0.324 561 W C 1.256 177.733 176.519 -0.069 0.000 1.250 561 W CA 0.098 57.436 57.345 -0.012 0.000 1.809 561 W CB 0.309 29.776 29.460 0.012 0.000 1.083 561 W HN 0.517 nan 8.180 nan 0.000 0.685 562 T N -1.958 112.633 114.554 0.062 0.000 3.340 562 T HA -0.121 4.231 4.350 0.003 0.000 0.272 562 T C 1.472 176.029 174.700 -0.239 0.000 0.965 562 T CA 0.727 62.773 62.100 -0.090 0.000 1.040 562 T CB -0.179 68.540 68.868 -0.248 0.000 1.183 562 T HN 0.070 nan 8.240 nan 0.000 0.478 563 D N 2.478 122.619 120.400 -0.431 0.000 2.312 563 D HA -0.058 4.584 4.640 0.003 0.000 0.211 563 D C 0.698 176.939 176.300 -0.098 0.000 0.964 563 D CA 0.518 54.376 54.000 -0.237 0.000 0.877 563 D CB -0.392 40.340 40.800 -0.114 0.000 0.924 563 D HN 0.609 nan 8.370 nan 0.000 0.515 564 I N 1.134 121.653 120.570 -0.086 0.000 6.673 564 I HA -0.280 3.892 4.170 0.003 0.000 0.126 564 I C 0.353 176.428 176.117 -0.070 0.000 1.823 564 I CA 0.318 61.569 61.300 -0.083 0.000 2.064 564 I CB -2.084 35.857 38.000 -0.097 0.000 3.515 564 I HN 0.203 nan 8.210 nan 0.000 0.178 565 S N 0.758 116.438 115.700 -0.034 0.000 2.745 565 S HA 0.933 5.405 4.470 0.003 0.000 0.292 565 S C 0.111 174.674 174.600 -0.063 0.000 1.127 565 S CA -0.093 58.082 58.200 -0.041 0.000 1.007 565 S CB 2.583 65.784 63.200 0.002 0.000 1.165 565 S HN 1.219 nan 8.310 nan 0.000 0.544 566 A N 1.304 124.074 122.820 -0.085 0.000 2.771 566 A HA 0.529 4.850 4.320 0.003 0.000 0.301 566 A C -0.192 177.304 177.584 -0.146 0.000 1.194 566 A CA -0.997 50.972 52.037 -0.113 0.000 0.837 566 A CB 0.517 19.428 19.000 -0.148 0.000 1.438 566 A HN 0.811 nan 8.150 nan 0.000 0.436 567 R N 1.419 121.861 120.500 -0.097 0.000 2.782 567 R HA 0.798 5.140 4.340 0.003 0.000 0.258 567 R C -1.022 175.222 176.300 -0.094 0.000 1.055 567 R CA -0.780 55.270 56.100 -0.084 0.000 1.065 567 R CB 0.849 31.130 30.300 -0.032 0.000 1.172 567 R HN 0.282 nan 8.270 nan 0.000 0.510 568 I N 2.681 123.210 120.570 -0.068 0.000 2.382 568 I HA 0.331 4.503 4.170 0.003 0.000 0.285 568 I C -0.100 176.004 176.117 -0.022 0.000 1.007 568 I CA -1.087 60.177 61.300 -0.060 0.000 1.142 568 I CB 0.946 38.907 38.000 -0.065 0.000 1.289 568 I HN 0.475 nan 8.210 nan 0.000 0.453 569 L N 5.414 126.626 121.223 -0.018 0.000 2.360 569 L HA 0.464 4.806 4.340 0.003 0.000 0.271 569 L C 0.571 177.475 176.870 0.058 0.000 1.057 569 L CA -0.600 54.257 54.840 0.030 0.000 0.803 569 L CB 0.980 43.058 42.059 0.031 0.000 1.207 569 L HN 0.430 nan 8.230 nan 0.000 0.445 570 K N 1.292 121.739 120.400 0.079 0.000 2.258 570 K HA 0.276 4.597 4.320 0.003 0.000 0.284 570 K C 0.763 177.409 176.600 0.077 0.000 1.051 570 K CA -0.367 55.949 56.287 0.048 0.000 0.923 570 K CB 0.900 33.416 32.500 0.027 0.000 1.046 570 K HN 0.565 nan 8.250 nan 0.000 0.474 571 L N 6.051 127.282 121.223 0.013 0.000 1.932 571 L HA -0.151 4.191 4.340 0.003 0.000 0.217 571 L C -0.722 176.071 176.870 -0.127 0.000 1.077 571 L CA 1.381 56.180 54.840 -0.068 0.000 0.765 571 L CB -1.043 40.906 42.059 -0.184 0.000 0.888 571 L HN 0.715 nan 8.230 nan 0.000 0.433 572 P HA -0.235 nan 4.420 nan 0.000 0.220 572 P C 1.444 178.641 177.300 -0.172 0.000 1.155 572 P CA 2.640 65.730 63.100 -0.017 0.000 0.880 572 P CB -0.061 31.637 31.700 -0.003 0.000 0.790 573 S N -2.535 113.081 115.700 -0.140 0.000 2.497 573 S HA 0.102 4.574 4.470 0.003 0.000 0.221 573 S C 1.083 175.659 174.600 -0.041 0.000 1.037 573 S CA -0.175 57.955 58.200 -0.117 0.000 0.920 573 S CB -0.936 62.245 63.200 -0.032 0.000 0.800 573 S HN 0.165 nan 8.310 nan 0.000 0.505 574 F N 1.005 120.953 119.950 -0.004 0.000 2.926 574 F HA -0.175 4.354 4.527 0.003 0.000 0.288 574 F C 0.515 176.292 175.800 -0.039 0.000 0.756 574 F CA 0.230 58.211 58.000 -0.032 0.000 1.292 574 F CB -1.632 37.339 39.000 -0.048 0.000 1.482 574 F HN 0.406 nan 8.300 nan 0.000 0.400 575 E N 1.324 121.605 120.200 0.135 0.000 2.425 575 E HA 0.300 4.652 4.350 0.003 0.000 0.258 575 E C -0.129 176.502 176.600 0.053 0.000 1.151 575 E CA -0.322 56.117 56.400 0.065 0.000 0.958 575 E CB 0.764 30.483 29.700 0.032 0.000 0.968 575 E HN 0.318 nan 8.360 nan 0.000 0.451 576 L N 3.878 125.115 121.223 0.023 0.000 2.307 576 L HA 0.199 4.541 4.340 0.003 0.000 0.282 576 L C 0.488 177.362 176.870 0.006 0.000 1.051 576 L CA -0.358 54.488 54.840 0.010 0.000 0.804 576 L CB 0.705 42.762 42.059 -0.005 0.000 1.197 576 L HN 0.681 nan 8.230 nan 0.000 0.431 577 L N 2.935 124.166 121.223 0.014 0.000 2.586 577 L HA 0.281 4.623 4.340 0.003 0.000 0.204 577 L C -0.024 176.865 176.870 0.031 0.000 1.053 577 L CA -0.138 54.712 54.840 0.017 0.000 0.856 577 L CB 0.165 42.239 42.059 0.025 0.000 1.192 577 L HN 0.529 nan 8.230 nan 0.000 0.484 578 H N 1.323 120.357 119.070 -0.059 0.000 2.877 578 H HA 0.376 4.934 4.556 0.003 0.000 0.347 578 H C -1.554 173.718 175.328 -0.094 0.000 1.042 578 H CA -0.599 55.403 56.048 -0.077 0.000 1.276 578 H CB 2.163 31.866 29.762 -0.100 0.000 1.681 578 H HN -0.073 nan 8.280 nan 0.000 0.521 579 K N 4.087 124.598 120.400 0.186 0.000 2.358 579 K HA 0.316 4.638 4.320 0.003 0.000 0.260 579 K C -1.118 175.593 176.600 0.184 0.000 0.956 579 K CA -0.623 55.738 56.287 0.124 0.000 0.834 579 K CB 1.238 33.745 32.500 0.012 0.000 1.102 579 K HN 0.577 nan 8.250 nan 0.000 0.431 580 E N 5.445 125.704 120.200 0.099 0.000 2.191 580 E HA 0.232 4.584 4.350 0.003 0.000 0.263 580 E C -0.711 175.867 176.600 -0.037 0.000 0.881 580 E CA -0.686 55.741 56.400 0.044 0.000 0.757 580 E CB 0.911 30.527 29.700 -0.139 0.000 1.147 580 E HN 0.477 nan 8.360 nan 0.000 0.414 581 M N 4.807 124.397 119.600 -0.017 0.000 2.288 581 M HA 0.322 4.804 4.480 0.003 0.000 0.334 581 M C -0.249 175.996 176.300 -0.093 0.000 1.150 581 M CA -0.450 54.820 55.300 -0.049 0.000 1.118 581 M CB 0.475 33.060 32.600 -0.025 0.000 1.501 581 M HN 0.677 nan 8.290 nan 0.000 0.462 582 L N 0.615 121.749 121.223 -0.149 0.000 3.313 582 L HA 0.713 5.054 4.340 0.003 0.000 0.222 582 L C 1.146 177.938 176.870 -0.132 0.000 1.519 582 L CA -0.040 54.651 54.840 -0.248 0.000 2.125 582 L CB -1.384 40.280 42.059 -0.658 0.000 2.091 582 L HN 0.673 nan 8.230 nan 0.000 0.708 583 G N -0.823 107.889 108.800 -0.147 0.000 2.338 583 G HA2 0.183 4.144 3.960 0.003 0.000 1.024 583 G HA3 0.183 4.144 3.960 0.003 0.000 1.024 583 G C 0.740 175.633 174.900 -0.013 0.000 1.090 583 G CA 1.489 46.578 45.100 -0.018 0.000 1.646 583 G HN 1.234 nan 8.290 nan 0.000 0.929 584 G N -2.680 106.109 108.800 -0.017 0.000 3.083 584 G HA2 0.262 4.224 3.960 0.003 0.000 0.210 584 G HA3 0.262 4.224 3.960 0.003 0.000 0.210 584 G C 0.923 175.805 174.900 -0.031 0.000 1.571 584 G CA 1.171 46.260 45.100 -0.019 0.000 0.727 584 G HN 0.704 nan 8.290 nan 0.000 0.988 585 E N -0.791 119.388 120.200 -0.035 0.000 2.653 585 E HA 0.285 4.637 4.350 0.003 0.000 0.218 585 E C -0.758 175.795 176.600 -0.078 0.000 0.911 585 E CA -0.150 56.222 56.400 -0.047 0.000 1.355 585 E CB 0.895 30.578 29.700 -0.027 0.000 1.314 585 E HN 0.281 nan 8.360 nan 0.000 0.686 586 I N 2.503 123.025 120.570 -0.079 0.000 2.404 586 I HA 0.271 4.443 4.170 0.003 0.000 0.293 586 I C -0.159 175.869 176.117 -0.148 0.000 0.992 586 I CA -1.090 60.141 61.300 -0.115 0.000 1.149 586 I CB 1.363 39.321 38.000 -0.070 0.000 1.315 586 I HN 0.010 nan 8.210 nan 0.000 0.446 587 I N 4.849 125.260 120.570 -0.264 0.000 2.834 587 I HA 0.627 4.799 4.170 0.003 0.000 0.305 587 I C -2.469 173.529 176.117 -0.197 0.000 1.008 587 I CA -2.910 58.206 61.300 -0.306 0.000 1.273 587 I CB -0.743 36.872 38.000 -0.642 0.000 1.432 587 I HN 0.279 nan 8.210 nan 0.000 0.557 588 P HA 0.283 nan 4.420 nan 0.000 0.270 588 P C -0.125 177.139 177.300 -0.060 0.000 1.223 588 P CA -0.047 63.024 63.100 -0.049 0.000 0.785 588 P CB 0.616 32.300 31.700 -0.028 0.000 0.923 589 R N -0.312 120.184 120.500 -0.006 0.000 2.591 589 R HA 0.320 4.662 4.340 0.003 0.000 0.288 589 R C -0.510 175.814 176.300 0.040 0.000 0.947 589 R CA 0.228 56.331 56.100 0.004 0.000 1.085 589 R CB 0.533 30.827 30.300 -0.009 0.000 1.618 589 R HN 0.428 nan 8.270 nan 0.000 0.524 590 S N -0.366 115.365 115.700 0.051 0.000 2.535 590 S HA 0.634 5.106 4.470 0.003 0.000 0.272 590 S C -1.514 173.130 174.600 0.073 0.000 1.149 590 S CA -0.655 57.585 58.200 0.067 0.000 0.888 590 S CB 0.863 64.106 63.200 0.072 0.000 1.110 590 S HN 0.190 nan 8.310 nan 0.000 0.463 591 I N 3.819 124.429 120.570 0.068 0.000 3.191 591 I HA 0.829 5.001 4.170 0.003 0.000 0.313 591 I C -1.992 174.159 176.117 0.056 0.000 1.193 591 I CA -1.118 60.221 61.300 0.065 0.000 0.968 591 I CB 2.016 40.038 38.000 0.038 0.000 1.262 591 I HN 0.824 nan 8.210 nan 0.000 0.456 592 L N 4.828 126.080 121.223 0.048 0.000 3.349 592 L HA 0.352 4.694 4.340 0.003 0.000 0.265 592 L C -1.856 175.021 176.870 0.012 0.000 0.964 592 L CA -0.393 54.463 54.840 0.027 0.000 1.103 592 L CB 1.546 43.626 42.059 0.035 0.000 1.838 592 L HN 0.654 nan 8.230 nan 0.000 0.527 593 M N 3.272 122.867 119.600 -0.009 0.000 2.342 593 M HA 0.669 5.151 4.480 0.003 0.000 0.332 593 M C -0.319 175.955 176.300 -0.043 0.000 1.166 593 M CA -0.085 55.208 55.300 -0.011 0.000 1.086 593 M CB 1.860 34.445 32.600 -0.026 0.000 1.541 593 M HN 0.668 nan 8.290 nan 0.000 0.462 594 T N 0.020 114.547 114.554 -0.045 0.000 2.770 594 T HA 0.289 4.640 4.350 0.003 0.000 0.323 594 T C -1.416 173.245 174.700 -0.065 0.000 1.683 594 T CA -0.737 61.288 62.100 -0.126 0.000 1.024 594 T CB 1.903 70.566 68.868 -0.342 0.000 1.557 594 T HN 0.631 nan 8.240 nan 0.000 0.494 595 T N 2.116 116.631 114.554 -0.065 0.000 2.779 595 T HA 0.563 4.915 4.350 0.003 0.000 0.280 595 T C 0.278 174.974 174.700 -0.008 0.000 0.987 595 T CA -0.501 61.618 62.100 0.032 0.000 0.966 595 T CB 0.919 69.850 68.868 0.106 0.000 0.933 595 T HN 0.459 nan 8.240 nan 0.000 0.442 596 F N 1.107 121.136 119.950 0.131 0.000 2.293 596 F HA 0.218 4.747 4.527 0.003 0.000 0.272 596 F C 2.383 178.173 175.800 -0.017 0.000 1.053 596 F CA 0.039 58.057 58.000 0.030 0.000 1.152 596 F CB 0.493 39.476 39.000 -0.028 0.000 1.119 596 F HN 0.501 nan 8.300 nan 0.000 0.564 597 E N -0.860 119.461 120.200 0.202 0.000 2.389 597 E HA -0.016 4.335 4.350 0.003 0.000 0.199 597 E C 0.475 177.063 176.600 -0.020 0.000 0.978 597 E CA 0.808 57.205 56.400 -0.004 0.000 0.912 597 E CB 0.517 30.088 29.700 -0.216 0.000 0.907 597 E HN 0.378 nan 8.360 nan 0.000 0.494 598 S N -2.218 113.470 115.700 -0.020 0.000 4.610 598 S HA -0.010 4.462 4.470 0.003 0.000 0.048 598 S C -0.174 174.280 174.600 -0.244 0.000 0.857 598 S CA -0.500 57.649 58.200 -0.085 0.000 0.975 598 S CB -0.467 62.718 63.200 -0.026 0.000 0.441 598 S HN -0.013 nan 8.310 nan 0.000 0.797 599 S N 3.274 118.858 115.700 -0.194 0.000 2.475 599 S HA 0.638 5.110 4.470 0.003 0.000 0.298 599 S C -0.651 173.702 174.600 -0.412 0.000 1.119 599 S CA -0.587 57.397 58.200 -0.361 0.000 1.085 599 S CB 0.442 63.474 63.200 -0.279 0.000 1.028 599 S HN 0.454 nan 8.310 nan 0.000 0.489 600 H N 1.945 120.907 119.070 -0.180 0.000 2.487 600 H HA 0.436 4.994 4.556 0.003 0.000 0.333 600 H C -1.056 174.150 175.328 -0.202 0.000 1.114 600 H CA 0.031 56.019 56.048 -0.100 0.000 1.310 600 H CB 0.487 30.215 29.762 -0.058 0.000 1.462 600 H HN 0.546 nan 8.280 nan 0.000 0.516 601 Y N 0.672 121.019 120.300 0.078 0.000 2.581 601 Y HA 0.278 4.829 4.550 0.003 0.000 0.345 601 Y C -0.152 175.789 175.900 0.067 0.000 1.036 601 Y CA -1.098 57.062 58.100 0.100 0.000 1.042 601 Y CB 1.966 40.474 38.460 0.080 0.000 1.289 601 Y HN 0.372 nan 8.280 nan 0.000 0.471 602 L N 4.250 125.670 121.223 0.330 0.000 2.346 602 L HA 0.675 5.017 4.340 0.003 0.000 0.276 602 L C -1.911 175.165 176.870 0.343 0.000 1.006 602 L CA -0.796 54.174 54.840 0.216 0.000 0.817 602 L CB 1.443 43.558 42.059 0.093 0.000 1.272 602 L HN 0.720 nan 8.230 nan 0.000 0.421 603 L N 5.829 127.195 121.223 0.237 0.000 2.377 603 L HA 0.415 4.756 4.340 0.003 0.000 0.270 603 L C -0.016 177.001 176.870 0.245 0.000 0.991 603 L CA -0.474 54.538 54.840 0.287 0.000 0.851 603 L CB 1.459 43.632 42.059 0.189 0.000 1.218 603 L HN 0.626 nan 8.230 nan 0.000 0.420 604 C N 3.200 122.697 119.300 0.329 0.000 2.345 604 C HA 0.933 5.394 4.460 0.003 0.000 0.369 604 C C 0.394 175.547 174.990 0.272 0.000 1.273 604 C CA 0.054 59.222 59.018 0.250 0.000 2.310 604 C CB 1.332 29.215 27.740 0.237 0.000 2.219 604 C HN 0.993 nan 8.230 nan 0.000 0.587 605 A N 3.369 126.313 122.820 0.207 0.000 2.513 605 A HA 0.543 4.865 4.320 0.003 0.000 0.285 605 A C -0.709 176.946 177.584 0.119 0.000 1.047 605 A CA -0.513 51.624 52.037 0.167 0.000 0.864 605 A CB 0.147 19.215 19.000 0.113 0.000 1.373 605 A HN 0.896 nan 8.150 nan 0.000 0.403 606 L N 1.493 122.796 121.223 0.134 0.000 2.425 606 L HA 0.326 4.668 4.340 0.003 0.000 0.225 606 L C 1.814 178.687 176.870 0.005 0.000 1.222 606 L CA 0.326 55.206 54.840 0.067 0.000 0.832 606 L CB 0.297 42.415 42.059 0.098 0.000 1.238 606 L HN 0.841 nan 8.230 nan 0.000 0.533 607 G N -1.609 107.170 108.800 -0.034 0.000 2.777 607 G HA2 -0.121 3.841 3.960 0.003 0.000 0.211 607 G HA3 -0.121 3.841 3.960 0.003 0.000 0.211 607 G C 0.997 175.877 174.900 -0.033 0.000 1.149 607 G CA 0.008 45.081 45.100 -0.045 0.000 0.785 607 G HN 0.656 nan 8.290 nan 0.000 0.536 608 D N 0.852 121.233 120.400 -0.032 0.000 2.084 608 D HA 0.044 4.686 4.640 0.003 0.000 0.194 608 D C 2.138 178.415 176.300 -0.038 0.000 0.990 608 D CA 1.928 55.907 54.000 -0.036 0.000 0.826 608 D CB -0.080 40.688 40.800 -0.053 0.000 0.971 608 D HN 0.386 nan 8.370 nan 0.000 0.453 609 G N -1.482 107.290 108.800 -0.046 0.000 2.200 609 G HA2 0.088 4.050 3.960 0.003 0.000 0.145 609 G HA3 0.088 4.050 3.960 0.003 0.000 0.145 609 G C 0.234 175.083 174.900 -0.086 0.000 1.021 609 G CA 0.312 45.386 45.100 -0.044 0.000 0.720 609 G HN 0.573 nan 8.290 nan 0.000 0.494 610 A N -0.147 122.602 122.820 -0.118 0.000 2.287 610 A HA 0.893 5.215 4.320 0.003 0.000 0.273 610 A C -0.076 177.412 177.584 -0.161 0.000 1.091 610 A CA -0.109 51.793 52.037 -0.226 0.000 0.817 610 A CB 1.171 19.985 19.000 -0.311 0.000 1.069 610 A HN 1.307 nan 8.150 nan 0.000 0.492 611 L N 1.058 122.120 121.223 -0.268 0.000 2.568 611 L HA 0.511 4.853 4.340 0.003 0.000 0.262 611 L C -1.720 175.058 176.870 -0.153 0.000 0.980 611 L CA -0.488 54.307 54.840 -0.076 0.000 0.882 611 L CB 0.557 42.660 42.059 0.073 0.000 1.198 611 L HN 0.683 nan 8.230 nan 0.000 0.425 612 F N 3.939 123.898 119.950 0.014 0.000 2.382 612 F HA 0.516 5.044 4.527 0.003 0.000 0.331 612 F C -0.125 175.678 175.800 0.005 0.000 1.121 612 F CA -0.028 57.884 58.000 -0.147 0.000 1.183 612 F CB 0.932 39.857 39.000 -0.124 0.000 1.207 612 F HN 0.365 nan 8.300 nan 0.000 0.555 613 Y N 0.002 120.222 120.300 -0.134 0.000 2.442 613 Y HA 0.723 5.274 4.550 0.003 0.000 0.330 613 Y C -2.120 173.705 175.900 -0.125 0.000 1.100 613 Y CA -2.417 55.712 58.100 0.048 0.000 1.034 613 Y CB 0.445 38.981 38.460 0.127 0.000 1.285 613 Y HN 0.351 nan 8.280 nan 0.000 0.440 614 F N 0.916 121.100 119.950 0.389 0.000 2.598 614 F HA 0.777 5.306 4.527 0.003 0.000 0.327 614 F C 0.865 176.837 175.800 0.286 0.000 1.057 614 F CA -1.778 56.380 58.000 0.263 0.000 0.957 614 F CB 2.034 41.087 39.000 0.088 0.000 1.278 614 F HN 0.847 nan 8.300 nan 0.000 0.484 615 G N 1.482 110.489 108.800 0.344 0.000 3.636 615 G HA2 0.347 4.309 3.960 0.003 0.000 0.260 615 G HA3 0.347 4.309 3.960 0.003 0.000 0.260 615 G C -0.455 174.481 174.900 0.059 0.000 1.014 615 G CA -0.301 44.848 45.100 0.081 0.000 1.797 615 G HN 0.598 nan 8.290 nan 0.000 0.637 616 L N 1.881 123.164 121.223 0.100 0.000 2.660 616 L HA 0.056 4.398 4.340 0.003 0.000 0.272 616 L C 0.404 177.306 176.870 0.054 0.000 1.194 616 L CA -0.226 54.646 54.840 0.053 0.000 0.945 616 L CB 0.228 42.310 42.059 0.040 0.000 1.212 616 L HN 0.397 nan 8.230 nan 0.000 0.490 617 N N 5.194 123.919 118.700 0.043 0.000 2.422 617 N HA 0.037 4.779 4.740 0.003 0.000 0.266 617 N C 0.934 176.436 175.510 -0.014 0.000 1.007 617 N CA -0.328 52.756 53.050 0.058 0.000 0.941 617 N CB 1.282 39.804 38.487 0.057 0.000 1.115 617 N HN 0.786 nan 8.380 nan 0.000 0.492 618 I N 2.336 122.844 120.570 -0.103 0.000 2.226 618 I HA -0.140 4.031 4.170 0.003 0.000 0.245 618 I C 1.624 177.695 176.117 -0.077 0.000 1.100 618 I CA 1.283 62.487 61.300 -0.159 0.000 1.374 618 I CB -0.188 37.615 38.000 -0.327 0.000 1.057 618 I HN 0.412 nan 8.210 nan 0.000 0.413 619 E N 1.362 121.537 120.200 -0.041 0.000 2.035 619 E HA -0.229 4.123 4.350 0.003 0.000 0.204 619 E C 2.248 178.843 176.600 -0.009 0.000 1.025 619 E CA 2.633 59.023 56.400 -0.016 0.000 0.835 619 E CB -1.079 28.625 29.700 0.006 0.000 0.764 619 E HN 0.662 nan 8.360 nan 0.000 0.457 620 T N -1.066 113.490 114.554 0.002 0.000 3.067 620 T HA 0.222 4.574 4.350 0.003 0.000 0.261 620 T C 1.038 175.742 174.700 0.008 0.000 1.110 620 T CA 0.709 62.813 62.100 0.007 0.000 1.113 620 T CB 0.136 69.014 68.868 0.017 0.000 0.917 620 T HN 0.439 nan 8.240 nan 0.000 0.499 621 G N 2.027 110.829 108.800 0.002 0.000 2.417 621 G HA2 0.006 3.968 3.960 0.003 0.000 0.291 621 G HA3 0.006 3.968 3.960 0.003 0.000 0.291 621 G C -0.461 174.464 174.900 0.041 0.000 1.094 621 G CA 0.076 45.178 45.100 0.002 0.000 1.146 621 G HN 0.792 nan 8.290 nan 0.000 0.519 622 L N -1.890 119.369 121.223 0.060 0.000 2.582 622 L HA 0.969 5.311 4.340 0.003 0.000 0.257 622 L C -0.603 176.326 176.870 0.099 0.000 0.974 622 L CA -1.862 53.084 54.840 0.176 0.000 0.851 622 L CB 1.237 43.411 42.059 0.192 0.000 1.424 622 L HN 0.326 nan 8.230 nan 0.000 0.412 623 L N 0.277 121.518 121.223 0.031 0.000 2.303 623 L HA 0.991 5.333 4.340 0.003 0.000 0.266 623 L C 0.761 177.714 176.870 0.138 0.000 1.011 623 L CA 0.032 54.828 54.840 -0.074 0.000 0.818 623 L CB 1.735 43.550 42.059 -0.407 0.000 1.326 623 L HN 0.919 nan 8.230 nan 0.000 0.435 624 S N -1.611 114.236 115.700 0.245 0.000 2.865 624 S HA 0.227 4.699 4.470 0.003 0.000 0.229 624 S C -1.018 173.688 174.600 0.177 0.000 0.759 624 S CA -0.247 58.084 58.200 0.218 0.000 1.142 624 S CB -0.561 62.727 63.200 0.147 0.000 1.380 624 S HN 0.830 nan 8.310 nan 0.000 0.525 625 D N 0.896 121.406 120.400 0.184 0.000 3.250 625 D HA 0.082 4.724 4.640 0.003 0.000 0.252 625 D C -0.197 176.121 176.300 0.031 0.000 1.342 625 D CA -0.341 53.724 54.000 0.108 0.000 0.807 625 D CB -0.243 40.626 40.800 0.116 0.000 1.449 625 D HN 0.466 nan 8.370 nan 0.000 0.610 626 R N 1.168 121.661 120.500 -0.011 0.000 2.507 626 R HA 0.126 4.468 4.340 0.003 0.000 0.341 626 R C -0.643 175.442 176.300 -0.357 0.000 0.960 626 R CA 0.389 56.309 56.100 -0.299 0.000 1.032 626 R CB 0.351 30.585 30.300 -0.110 0.000 0.933 626 R HN -0.047 nan 8.270 nan 0.000 0.418 627 K N 2.919 122.934 120.400 -0.642 0.000 2.280 627 K HA 0.494 4.816 4.320 0.003 0.000 0.234 627 K C -1.043 175.053 176.600 -0.840 0.000 1.028 627 K CA -0.736 55.107 56.287 -0.740 0.000 0.882 627 K CB 1.626 33.504 32.500 -1.037 0.000 1.194 627 K HN 0.505 nan 8.250 nan 0.000 0.458 628 K N 0.279 120.284 120.400 -0.659 0.000 2.578 628 K HA 0.524 4.846 4.320 0.003 0.000 0.269 628 K C -1.727 174.617 176.600 -0.426 0.000 0.941 628 K CA -0.745 55.175 56.287 -0.611 0.000 0.847 628 K CB 1.697 33.783 32.500 -0.689 0.000 1.397 628 K HN 0.412 nan 8.250 nan 0.000 0.422 629 V N -1.394 118.275 119.914 -0.408 0.000 3.181 629 V HA 0.757 4.878 4.120 0.003 0.000 0.307 629 V C -1.532 174.353 176.094 -0.349 0.000 1.310 629 V CA -0.449 61.629 62.300 -0.369 0.000 1.067 629 V CB 2.023 33.523 31.823 -0.538 0.000 1.081 629 V HN 0.797 nan 8.190 nan 0.000 0.453 630 T N 1.691 116.077 114.554 -0.281 0.000 2.916 630 T HA 0.684 5.036 4.350 0.003 0.000 0.298 630 T C 0.237 174.860 174.700 -0.128 0.000 1.031 630 T CA -0.322 61.646 62.100 -0.219 0.000 0.993 630 T CB 1.659 70.388 68.868 -0.233 0.000 1.045 630 T HN 0.703 nan 8.240 nan 0.000 0.454 631 L N 0.780 121.955 121.223 -0.080 0.000 2.624 631 L HA 0.545 4.887 4.340 0.003 0.000 0.222 631 L C 1.342 178.212 176.870 -0.000 0.000 1.046 631 L CA -0.009 54.810 54.840 -0.035 0.000 0.872 631 L CB 0.244 42.294 42.059 -0.015 0.000 1.190 631 L HN 0.789 nan 8.230 nan 0.000 0.487 632 G N -0.707 108.093 108.800 -0.001 0.000 2.911 632 G HA2 0.395 4.357 3.960 0.003 0.000 0.299 632 G HA3 0.395 4.357 3.960 0.003 0.000 0.299 632 G C 0.159 175.077 174.900 0.030 0.000 1.283 632 G CA 0.662 45.774 45.100 0.021 0.000 0.805 632 G HN -0.053 nan 8.290 nan 0.000 0.548 633 T N -2.645 111.929 114.554 0.032 0.000 2.959 633 T HA 0.289 4.641 4.350 0.003 0.000 0.254 633 T C 0.664 175.373 174.700 0.015 0.000 1.003 633 T CA 0.235 62.356 62.100 0.036 0.000 0.950 633 T CB 0.187 69.089 68.868 0.057 0.000 1.090 633 T HN 0.390 nan 8.240 nan 0.000 0.503 634 Q N 2.576 122.379 119.800 0.005 0.000 2.214 634 Q HA 0.420 4.762 4.340 0.003 0.000 0.251 634 Q C -2.742 173.248 176.000 -0.016 0.000 0.936 634 Q CA -2.803 52.996 55.803 -0.006 0.000 0.894 634 Q CB 1.183 29.913 28.738 -0.013 0.000 1.252 634 Q HN 0.192 nan 8.270 nan 0.000 0.448 635 P HA -0.080 nan 4.420 nan 0.000 0.266 635 P C -0.089 177.195 177.300 -0.026 0.000 1.215 635 P CA 0.248 63.337 63.100 -0.019 0.000 0.763 635 P CB 0.598 32.288 31.700 -0.018 0.000 0.806 636 T N 1.048 115.594 114.554 -0.014 0.000 2.833 636 T HA 0.417 4.769 4.350 0.003 0.000 0.312 636 T C -0.061 174.637 174.700 -0.002 0.000 1.085 636 T CA -0.416 61.675 62.100 -0.015 0.000 0.955 636 T CB 0.452 69.322 68.868 0.004 0.000 1.353 636 T HN 0.191 nan 8.240 nan 0.000 0.544 637 V N 1.213 121.138 119.914 0.018 0.000 2.737 637 V HA 0.334 4.456 4.120 0.003 0.000 0.298 637 V C -0.320 175.834 176.094 0.099 0.000 1.163 637 V CA -0.912 61.420 62.300 0.052 0.000 0.925 637 V CB 1.591 33.433 31.823 0.032 0.000 1.037 637 V HN 0.854 nan 8.190 nan 0.000 0.433 638 L N 4.959 126.249 121.223 0.111 0.000 2.418 638 L HA 0.707 5.049 4.340 0.003 0.000 0.265 638 L C 0.119 177.089 176.870 0.167 0.000 1.143 638 L CA -0.505 54.417 54.840 0.137 0.000 0.809 638 L CB 0.753 42.877 42.059 0.109 0.000 1.124 638 L HN 0.505 nan 8.230 nan 0.000 0.456 639 R N 0.719 121.347 120.500 0.214 0.000 2.523 639 R HA 0.231 4.573 4.340 0.003 0.000 0.278 639 R C -0.763 175.690 176.300 0.255 0.000 1.150 639 R CA -0.526 55.707 56.100 0.222 0.000 0.987 639 R CB 1.931 32.362 30.300 0.219 0.000 1.232 639 R HN 0.652 nan 8.270 nan 0.000 0.424 640 T N 2.472 117.133 114.554 0.179 0.000 2.899 640 T HA 0.671 5.023 4.350 0.003 0.000 0.295 640 T C -0.528 174.318 174.700 0.242 0.000 1.033 640 T CA -0.062 62.117 62.100 0.132 0.000 1.084 640 T CB 0.278 69.178 68.868 0.054 0.000 0.979 640 T HN 0.402 nan 8.240 nan 0.000 0.532 641 F N 1.615 121.623 119.950 0.096 0.000 2.690 641 F HA 0.580 5.109 4.527 0.003 0.000 0.311 641 F C -1.163 174.680 175.800 0.071 0.000 1.111 641 F CA -1.342 56.699 58.000 0.069 0.000 1.003 641 F CB 0.983 39.997 39.000 0.024 0.000 1.283 641 F HN 0.431 nan 8.300 nan 0.000 0.442 642 R N 2.455 123.125 120.500 0.284 0.000 2.404 642 R HA 0.589 4.931 4.340 0.003 0.000 0.291 642 R C 0.232 176.677 176.300 0.241 0.000 1.025 642 R CA 0.007 56.200 56.100 0.153 0.000 0.991 642 R CB 1.972 32.342 30.300 0.117 0.000 1.053 642 R HN 1.039 nan 8.270 nan 0.000 0.479 643 S N 1.717 117.483 115.700 0.111 0.000 2.521 643 S HA 0.224 4.696 4.470 0.003 0.000 0.278 643 S C 1.700 176.334 174.600 0.056 0.000 1.140 643 S CA -0.662 57.605 58.200 0.112 0.000 1.028 643 S CB 0.125 63.335 63.200 0.017 0.000 1.203 643 S HN 0.508 nan 8.310 nan 0.000 0.491 644 L N 0.680 121.920 121.223 0.027 0.000 1.978 644 L HA -0.148 4.194 4.340 0.003 0.000 0.235 644 L C 2.243 179.121 176.870 0.013 0.000 1.094 644 L CA 2.105 56.954 54.840 0.016 0.000 0.814 644 L CB -0.787 41.272 42.059 -0.001 0.000 0.911 644 L HN 0.709 nan 8.230 nan 0.000 0.442 645 S N -2.337 113.362 115.700 -0.002 0.000 2.819 645 S HA 0.163 4.635 4.470 0.003 0.000 0.249 645 S C -0.033 174.563 174.600 -0.007 0.000 1.030 645 S CA -0.117 58.084 58.200 0.002 0.000 1.052 645 S CB 0.434 63.634 63.200 0.000 0.000 1.017 645 S HN 0.546 nan 8.310 nan 0.000 0.576 646 T N -0.206 114.333 114.554 -0.024 0.000 2.916 646 T HA 0.625 4.977 4.350 0.003 0.000 0.292 646 T C -0.269 174.406 174.700 -0.041 0.000 1.064 646 T CA -0.656 61.420 62.100 -0.039 0.000 1.011 646 T CB 1.810 70.626 68.868 -0.088 0.000 1.152 646 T HN -0.066 nan 8.240 nan 0.000 0.510 647 T N 0.836 115.379 114.554 -0.019 0.000 2.944 647 T HA 0.738 5.090 4.350 0.003 0.000 0.284 647 T C -1.254 173.437 174.700 -0.016 0.000 1.010 647 T CA -0.529 61.557 62.100 -0.023 0.000 1.025 647 T CB 0.196 69.080 68.868 0.026 0.000 1.079 647 T HN 1.083 nan 8.240 nan 0.000 0.516 648 N N 0.030 118.659 118.700 -0.119 0.000 4.107 648 N HA 0.318 5.059 4.740 0.003 0.000 0.213 648 N C -1.366 173.981 175.510 -0.271 0.000 1.216 648 N CA -0.906 52.134 53.050 -0.017 0.000 0.925 648 N CB 0.308 38.652 38.487 -0.238 0.000 1.541 648 N HN 0.404 nan 8.380 nan 0.000 0.524 649 V N -0.372 119.576 119.914 0.057 0.000 3.489 649 V HA 0.572 4.694 4.120 0.003 0.000 0.297 649 V C -0.442 175.772 176.094 0.199 0.000 1.071 649 V CA -0.284 62.059 62.300 0.072 0.000 1.074 649 V CB 0.405 32.296 31.823 0.114 0.000 1.188 649 V HN 0.749 nan 8.190 nan 0.000 0.458 650 F N 0.503 120.542 119.950 0.148 0.000 3.152 650 F HA 0.610 5.139 4.527 0.003 0.000 0.367 650 F C 0.075 175.955 175.800 0.133 0.000 1.272 650 F CA -0.624 57.517 58.000 0.234 0.000 1.172 650 F CB 0.579 39.855 39.000 0.460 0.000 1.552 650 F HN 0.525 nan 8.300 nan 0.000 0.616 651 A N 5.079 127.820 122.820 -0.133 0.000 2.906 651 A HA 0.368 4.690 4.320 0.003 0.000 0.289 651 A C 0.064 177.595 177.584 -0.088 0.000 1.675 651 A CA -0.283 51.719 52.037 -0.057 0.000 1.372 651 A CB -1.284 17.689 19.000 -0.045 0.000 1.091 651 A HN 0.750 nan 8.150 nan 0.000 0.579 652 C N 2.819 122.173 119.300 0.092 0.000 2.638 652 C HA 0.487 4.949 4.460 0.003 0.000 0.410 652 C C 1.339 176.317 174.990 -0.022 0.000 1.404 652 C CA 0.429 59.499 59.018 0.087 0.000 1.651 652 C CB -1.895 25.910 27.740 0.109 0.000 2.495 652 C HN 1.017 nan 8.230 nan 0.000 0.606 653 S N 1.610 117.288 115.700 -0.037 0.000 2.862 653 S HA 0.309 4.781 4.470 0.003 0.000 0.300 653 S C 0.420 175.000 174.600 -0.033 0.000 1.240 653 S CA 0.092 58.265 58.200 -0.045 0.000 1.025 653 S CB 0.475 63.653 63.200 -0.036 0.000 1.340 653 S HN 0.636 nan 8.310 nan 0.000 0.544 654 D N 0.294 120.682 120.400 -0.021 0.000 2.234 654 D HA -0.017 4.625 4.640 0.003 0.000 0.205 654 D C 0.392 176.691 176.300 -0.001 0.000 0.962 654 D CA 0.494 54.490 54.000 -0.006 0.000 0.855 654 D CB -0.103 40.700 40.800 0.005 0.000 0.951 654 D HN 0.314 nan 8.370 nan 0.000 0.500 655 R N 1.071 121.565 120.500 -0.010 0.000 2.748 655 R HA 0.307 4.649 4.340 0.003 0.000 0.283 655 R C -2.618 173.649 176.300 -0.055 0.000 1.507 655 R CA -1.797 54.296 56.100 -0.012 0.000 1.666 655 R CB 0.984 31.290 30.300 0.010 0.000 1.237 655 R HN 0.092 nan 8.270 nan 0.000 0.633 656 P HA -0.108 nan 4.420 nan 0.000 0.259 656 P C -0.314 176.837 177.300 -0.248 0.000 1.155 656 P CA 1.197 64.184 63.100 -0.189 0.000 0.759 656 P CB 0.601 32.223 31.700 -0.130 0.000 0.753 657 T N 1.393 115.735 114.554 -0.354 0.000 2.742 657 T HA 0.605 4.957 4.350 0.003 0.000 0.282 657 T C -0.592 173.860 174.700 -0.413 0.000 1.025 657 T CA -0.558 61.389 62.100 -0.256 0.000 1.020 657 T CB 1.330 70.160 68.868 -0.063 0.000 1.317 657 T HN -0.019 nan 8.240 nan 0.000 0.538 658 V N 1.670 121.450 119.914 -0.224 0.000 2.629 658 V HA 0.306 4.427 4.120 0.003 0.000 0.263 658 V C -0.806 175.160 176.094 -0.213 0.000 0.959 658 V CA -0.668 61.554 62.300 -0.129 0.000 0.869 658 V CB 0.506 32.389 31.823 0.101 0.000 1.060 658 V HN 0.674 nan 8.190 nan 0.000 0.474 659 I N 5.250 125.618 120.570 -0.336 0.000 2.836 659 I HA 0.408 4.579 4.170 0.003 0.000 0.285 659 I C -0.072 175.711 176.117 -0.556 0.000 1.174 659 I CA 0.543 61.438 61.300 -0.675 0.000 1.405 659 I CB 0.176 37.861 38.000 -0.526 0.000 1.385 659 I HN 0.711 nan 8.210 nan 0.000 0.594 660 Y N 1.238 120.852 120.300 -1.143 0.000 2.879 660 Y HA 0.363 4.915 4.550 0.003 0.000 0.385 660 Y C -1.068 174.073 175.900 -1.264 0.000 1.153 660 Y CA -1.491 55.683 58.100 -1.544 0.000 1.245 660 Y CB 0.208 38.209 38.460 -0.766 0.000 1.472 660 Y HN 0.419 nan 8.280 nan 0.000 0.490 661 S N 1.188 116.384 115.700 -0.840 0.000 2.430 661 S HA 0.382 4.854 4.470 0.003 0.000 0.289 661 S C 0.705 175.238 174.600 -0.112 0.000 1.143 661 S CA 0.235 58.178 58.200 -0.428 0.000 1.067 661 S CB 1.031 64.069 63.200 -0.270 0.000 0.964 661 S HN 0.959 nan 8.310 nan 0.000 0.485 662 S N 4.407 120.050 115.700 -0.094 0.000 2.421 662 S HA 0.226 4.698 4.470 0.003 0.000 0.224 662 S C 0.414 175.006 174.600 -0.013 0.000 1.035 662 S CA 0.399 58.609 58.200 0.016 0.000 0.953 662 S CB -0.220 62.982 63.200 0.004 0.000 0.810 662 S HN 0.811 nan 8.310 nan 0.000 0.497 663 N N 0.130 118.817 118.700 -0.023 0.000 2.946 663 N HA 0.256 4.998 4.740 0.003 0.000 0.213 663 N C -1.212 174.372 175.510 0.123 0.000 1.440 663 N CA -0.297 52.780 53.050 0.045 0.000 0.745 663 N CB 0.245 38.779 38.487 0.077 0.000 1.471 663 N HN 0.221 nan 8.380 nan 0.000 0.569 664 H N -0.604 118.492 119.070 0.043 0.000 2.884 664 H HA -0.227 4.331 4.556 0.003 0.000 0.289 664 H C -0.294 175.093 175.328 0.098 0.000 1.142 664 H CA 1.280 57.379 56.048 0.085 0.000 1.158 664 H CB -0.476 29.325 29.762 0.065 0.000 1.325 664 H HN 0.499 nan 8.280 nan 0.000 0.366 665 K N 0.661 121.110 120.400 0.081 0.000 2.525 665 K HA 0.301 4.622 4.320 0.003 0.000 0.254 665 K C -0.188 176.334 176.600 -0.130 0.000 0.934 665 K CA -0.800 55.513 56.287 0.042 0.000 0.802 665 K CB 1.789 34.321 32.500 0.054 0.000 1.295 665 K HN -0.106 nan 8.250 nan 0.000 0.433 666 L N 3.118 124.217 121.223 -0.206 0.000 2.467 666 L HA 0.296 4.638 4.340 0.003 0.000 0.270 666 L C -0.045 176.588 176.870 -0.395 0.000 1.205 666 L CA 0.011 54.560 54.840 -0.484 0.000 0.828 666 L CB 0.889 42.571 42.059 -0.629 0.000 1.101 666 L HN 0.400 nan 8.230 nan 0.000 0.479 667 V N 2.701 122.152 119.914 -0.772 0.000 2.808 667 V HA 0.468 4.590 4.120 0.003 0.000 0.308 667 V C -0.841 174.709 176.094 -0.906 0.000 1.099 667 V CA -0.583 61.336 62.300 -0.635 0.000 0.920 667 V CB 2.289 33.632 31.823 -0.801 0.000 1.014 667 V HN 0.421 nan 8.190 nan 0.000 0.425 668 F N 1.554 121.251 119.950 -0.423 0.000 2.507 668 F HA 0.647 5.176 4.527 0.003 0.000 0.325 668 F C 0.570 176.230 175.800 -0.233 0.000 1.116 668 F CA -0.787 57.025 58.000 -0.314 0.000 0.930 668 F CB 2.318 41.194 39.000 -0.206 0.000 1.146 668 F HN 0.279 nan 8.300 nan 0.000 0.447 669 S N 2.926 118.594 115.700 -0.053 0.000 2.158 669 S HA 0.115 4.586 4.470 0.003 0.000 0.160 669 S C -0.542 174.040 174.600 -0.031 0.000 1.693 669 S CA -0.959 57.228 58.200 -0.022 0.000 1.251 669 S CB -0.199 63.010 63.200 0.015 0.000 1.153 669 S HN 0.694 nan 8.310 nan 0.000 0.439 670 N N 1.491 120.174 118.700 -0.029 0.000 2.030 670 N HA -0.127 4.614 4.740 0.003 0.000 0.292 670 N C -0.287 175.157 175.510 -0.110 0.000 1.315 670 N CA 0.257 53.267 53.050 -0.067 0.000 0.810 670 N CB 0.348 38.818 38.487 -0.029 0.000 1.048 670 N HN 0.173 nan 8.380 nan 0.000 0.492 671 V N 2.752 122.578 119.914 -0.147 0.000 2.488 671 V HA -0.026 4.096 4.120 0.003 0.000 0.277 671 V C 0.647 176.579 176.094 -0.270 0.000 1.046 671 V CA -0.645 61.571 62.300 -0.139 0.000 0.986 671 V CB 0.179 31.960 31.823 -0.071 0.000 0.989 671 V HN 0.633 nan 8.190 nan 0.000 0.475 672 N N 5.170 123.693 118.700 -0.295 0.000 3.007 672 N HA 0.148 4.890 4.740 0.003 0.000 0.329 672 N C -0.611 174.693 175.510 -0.343 0.000 1.209 672 N CA 0.488 53.249 53.050 -0.482 0.000 1.176 672 N CB -0.489 37.881 38.487 -0.196 0.000 1.426 672 N HN 0.608 nan 8.380 nan 0.000 0.554 673 L N -0.604 120.418 121.223 -0.335 0.000 2.465 673 L HA 0.349 4.691 4.340 0.003 0.000 0.257 673 L C 0.519 177.351 176.870 -0.064 0.000 0.988 673 L CA -0.855 53.910 54.840 -0.125 0.000 0.827 673 L CB 1.964 43.984 42.059 -0.064 0.000 1.397 673 L HN 0.074 nan 8.230 nan 0.000 0.410 674 K N 0.580 120.984 120.400 0.006 0.000 2.401 674 K HA 0.117 4.438 4.320 0.003 0.000 0.176 674 K C -0.202 176.404 176.600 0.011 0.000 1.109 674 K CA -0.111 56.194 56.287 0.031 0.000 1.146 674 K CB -0.022 32.498 32.500 0.033 0.000 1.600 674 K HN 0.512 nan 8.250 nan 0.000 0.474 675 E N 0.867 121.072 120.200 0.010 0.000 2.383 675 E HA 0.113 4.464 4.350 0.003 0.000 0.264 675 E C -1.143 175.462 176.600 0.007 0.000 1.050 675 E CA -0.140 56.261 56.400 0.002 0.000 0.896 675 E CB 1.090 30.790 29.700 -0.001 0.000 0.982 675 E HN 0.029 nan 8.360 nan 0.000 0.424 676 V N 4.390 124.309 119.914 0.008 0.000 2.564 676 V HA 0.041 4.163 4.120 0.003 0.000 0.259 676 V C 0.159 176.247 176.094 -0.011 0.000 0.936 676 V CA -0.514 61.810 62.300 0.040 0.000 0.867 676 V CB 0.738 32.653 31.823 0.153 0.000 1.076 676 V HN 0.641 nan 8.190 nan 0.000 0.476 677 N N 1.940 120.589 118.700 -0.085 0.000 2.006 677 N HA -0.044 4.698 4.740 0.003 0.000 0.196 677 N C -0.020 175.204 175.510 -0.476 0.000 1.057 677 N CA 1.897 54.762 53.050 -0.308 0.000 0.853 677 N CB -0.070 38.233 38.487 -0.307 0.000 1.051 677 N HN 0.640 nan 8.380 nan 0.000 0.423 678 Y N -1.270 119.000 120.300 -0.051 0.000 2.587 678 Y HA 0.633 5.184 4.550 0.003 0.000 0.337 678 Y C 0.257 176.068 175.900 -0.148 0.000 1.065 678 Y CA -1.059 56.980 58.100 -0.102 0.000 1.126 678 Y CB 1.464 39.808 38.460 -0.193 0.000 1.279 678 Y HN -0.090 nan 8.280 nan 0.000 0.489 679 M N 2.240 121.830 119.600 -0.018 0.000 2.694 679 M HA 0.630 5.112 4.480 0.003 0.000 0.276 679 M C -2.111 174.073 176.300 -0.193 0.000 1.167 679 M CA -0.684 54.503 55.300 -0.189 0.000 0.849 679 M CB 1.584 33.967 32.600 -0.362 0.000 1.705 679 M HN 0.993 nan 8.290 nan 0.000 0.504 680 C N 0.851 120.011 119.300 -0.233 0.000 3.285 680 C HA 0.924 5.385 4.460 0.003 0.000 0.325 680 C C -3.092 171.823 174.990 -0.125 0.000 1.304 680 C CA -1.168 57.767 59.018 -0.139 0.000 1.319 680 C CB 1.530 29.181 27.740 -0.147 0.000 1.640 680 C HN 0.706 nan 8.230 nan 0.000 0.477 681 P HA 0.436 nan 4.420 nan 0.000 0.274 681 P C -1.077 176.345 177.300 0.204 0.000 1.237 681 P CA -0.378 62.747 63.100 0.042 0.000 0.793 681 P CB 0.537 32.349 31.700 0.186 0.000 0.977 682 L N 3.083 124.355 121.223 0.082 0.000 2.491 682 L HA 0.342 4.684 4.340 0.003 0.000 0.267 682 L C -0.414 176.235 176.870 -0.367 0.000 0.971 682 L CA -0.061 54.811 54.840 0.054 0.000 0.857 682 L CB 1.297 43.364 42.059 0.014 0.000 1.226 682 L HN 0.407 nan 8.230 nan 0.000 0.408 683 N N 2.708 120.622 118.700 -1.309 0.000 2.321 683 N HA -0.015 4.726 4.740 0.003 0.000 0.242 683 N C 0.294 175.424 175.510 -0.633 0.000 1.141 683 N CA -0.026 52.432 53.050 -0.986 0.000 0.864 683 N CB 0.633 38.467 38.487 -1.087 0.000 1.100 683 N HN 0.672 nan 8.380 nan 0.000 0.510 684 S N 0.523 116.012 115.700 -0.352 0.000 2.572 684 S HA -0.099 4.373 4.470 0.003 0.000 0.262 684 S C 1.145 175.685 174.600 -0.101 0.000 1.375 684 S CA 0.409 58.540 58.200 -0.114 0.000 0.996 684 S CB 0.618 63.832 63.200 0.023 0.000 0.892 684 S HN 0.476 nan 8.310 nan 0.000 0.562 685 D N 1.209 121.559 120.400 -0.084 0.000 2.249 685 D HA 0.122 4.764 4.640 0.003 0.000 0.205 685 D C 1.768 178.001 176.300 -0.111 0.000 0.962 685 D CA 0.933 54.885 54.000 -0.079 0.000 0.860 685 D CB -0.853 39.912 40.800 -0.060 0.000 0.955 685 D HN 0.558 nan 8.370 nan 0.000 0.505 686 G N -1.212 107.464 108.800 -0.206 0.000 2.511 686 G HA2 -0.067 3.895 3.960 0.003 0.000 0.217 686 G HA3 -0.067 3.895 3.960 0.003 0.000 0.217 686 G C -0.316 174.338 174.900 -0.410 0.000 1.133 686 G CA 0.163 45.034 45.100 -0.382 0.000 0.792 686 G HN 0.216 nan 8.290 nan 0.000 0.539 687 Y N -0.260 120.031 120.300 -0.015 0.000 2.787 687 Y HA 0.386 4.938 4.550 0.003 0.000 0.352 687 Y C -1.782 174.093 175.900 -0.042 0.000 1.027 687 Y CA -3.357 54.751 58.100 0.012 0.000 1.219 687 Y CB 1.666 40.129 38.460 0.005 0.000 1.110 687 Y HN -0.059 nan 8.280 nan 0.000 0.614 688 P HA -0.170 nan 4.420 nan 0.000 0.217 688 P C -0.606 176.674 177.300 -0.034 0.000 1.158 688 P CA 2.085 65.196 63.100 0.018 0.000 0.887 688 P CB 0.298 32.022 31.700 0.041 0.000 0.792 689 D N -2.864 117.521 120.400 -0.025 0.000 2.881 689 D HA 0.199 4.841 4.640 0.003 0.000 0.238 689 D C -0.637 175.630 176.300 -0.054 0.000 1.368 689 D CA -0.130 53.840 54.000 -0.050 0.000 0.871 689 D CB 0.298 41.092 40.800 -0.010 0.000 1.516 689 D HN -0.122 nan 8.370 nan 0.000 0.544 690 S N 0.164 115.804 115.700 -0.101 0.000 2.786 690 S HA 0.819 5.290 4.470 0.003 0.000 0.302 690 S C -0.777 173.688 174.600 -0.225 0.000 1.080 690 S CA -0.687 57.413 58.200 -0.168 0.000 0.925 690 S CB 1.172 64.261 63.200 -0.184 0.000 1.325 690 S HN 0.137 nan 8.310 nan 0.000 0.576 691 L N 0.228 121.266 121.223 -0.307 0.000 2.393 691 L HA 0.783 5.125 4.340 0.003 0.000 0.260 691 L C -0.817 175.859 176.870 -0.325 0.000 1.002 691 L CA -0.479 54.137 54.840 -0.373 0.000 0.818 691 L CB 1.705 43.434 42.059 -0.549 0.000 1.369 691 L HN 0.777 nan 8.230 nan 0.000 0.412 692 A N 3.089 125.730 122.820 -0.298 0.000 2.319 692 A HA 0.886 5.208 4.320 0.003 0.000 0.310 692 A C -1.282 176.148 177.584 -0.257 0.000 1.152 692 A CA -0.394 51.498 52.037 -0.242 0.000 0.783 692 A CB 0.595 19.492 19.000 -0.172 0.000 1.184 692 A HN 0.574 nan 8.150 nan 0.000 0.474 693 L N 1.609 122.701 121.223 -0.218 0.000 2.354 693 L HA 0.885 5.227 4.340 0.003 0.000 0.269 693 L C 0.099 176.910 176.870 -0.099 0.000 1.005 693 L CA -0.842 53.893 54.840 -0.174 0.000 0.819 693 L CB 2.201 44.159 42.059 -0.168 0.000 1.311 693 L HN 0.743 nan 8.230 nan 0.000 0.423 694 A N 1.781 124.571 122.820 -0.050 0.000 2.353 694 A HA 0.672 4.994 4.320 0.003 0.000 0.299 694 A C -0.708 176.897 177.584 0.035 0.000 1.089 694 A CA -0.660 51.377 52.037 -0.001 0.000 0.736 694 A CB 1.182 20.184 19.000 0.005 0.000 1.195 694 A HN 0.871 nan 8.150 nan 0.000 0.447 695 N N 1.543 120.260 118.700 0.030 0.000 2.669 695 N HA 0.239 4.981 4.740 0.003 0.000 0.306 695 N C 0.357 175.902 175.510 0.057 0.000 1.352 695 N CA -0.559 52.509 53.050 0.030 0.000 0.886 695 N CB 0.303 38.800 38.487 0.018 0.000 1.107 695 N HN 0.347 nan 8.380 nan 0.000 0.534 696 N N -1.512 117.217 118.700 0.049 0.000 2.422 696 N HA -0.003 4.738 4.740 0.003 0.000 0.181 696 N C 0.444 175.995 175.510 0.068 0.000 1.080 696 N CA 0.844 53.935 53.050 0.068 0.000 0.893 696 N CB -0.046 38.472 38.487 0.052 0.000 0.973 696 N HN 0.689 nan 8.380 nan 0.000 0.456 697 S N -1.264 114.467 115.700 0.052 0.000 2.554 697 S HA 0.098 4.570 4.470 0.003 0.000 0.227 697 S C 0.753 175.381 174.600 0.046 0.000 1.050 697 S CA -0.177 58.050 58.200 0.045 0.000 0.927 697 S CB 0.573 63.790 63.200 0.028 0.000 0.859 697 S HN 0.197 nan 8.310 nan 0.000 0.494 698 T N -0.094 114.485 114.554 0.042 0.000 2.932 698 T HA 0.583 4.935 4.350 0.003 0.000 0.318 698 T C -1.242 173.472 174.700 0.023 0.000 1.265 698 T CA -0.826 61.295 62.100 0.035 0.000 1.036 698 T CB 1.713 70.592 68.868 0.018 0.000 1.209 698 T HN 0.153 nan 8.240 nan 0.000 0.484 699 L N 3.357 124.593 121.223 0.022 0.000 2.312 699 L HA 0.793 5.135 4.340 0.003 0.000 0.281 699 L C -0.206 176.642 176.870 -0.036 0.000 1.070 699 L CA 0.249 55.083 54.840 -0.010 0.000 0.805 699 L CB 1.034 43.094 42.059 0.003 0.000 1.174 699 L HN 1.253 nan 8.230 nan 0.000 0.434 700 T N 3.322 117.831 114.554 -0.074 0.000 2.952 700 T HA 0.665 5.017 4.350 0.003 0.000 0.305 700 T C -0.689 173.909 174.700 -0.170 0.000 1.064 700 T CA -0.611 61.428 62.100 -0.102 0.000 1.008 700 T CB 1.532 70.353 68.868 -0.079 0.000 1.078 700 T HN 0.306 nan 8.240 nan 0.000 0.459 701 I N 2.167 122.597 120.570 -0.232 0.000 2.648 701 I HA 0.966 5.137 4.170 0.003 0.000 0.304 701 I C 0.912 176.800 176.117 -0.383 0.000 1.009 701 I CA -0.275 60.822 61.300 -0.338 0.000 1.114 701 I CB 1.938 39.635 38.000 -0.505 0.000 1.293 701 I HN 1.235 nan 8.210 nan 0.000 0.449 702 G N 0.892 109.405 108.800 -0.478 0.000 2.316 702 G HA2 0.451 4.413 3.960 0.003 0.000 0.296 702 G HA3 0.451 4.413 3.960 0.003 0.000 0.296 702 G C -1.377 173.168 174.900 -0.592 0.000 1.399 702 G CA -0.444 44.244 45.100 -0.686 0.000 0.833 702 G HN 0.666 nan 8.290 nan 0.000 0.565 703 T N -1.193 113.010 114.554 -0.584 0.000 2.923 703 T HA 0.659 5.011 4.350 0.003 0.000 0.281 703 T C 0.283 174.887 174.700 -0.159 0.000 0.995 703 T CA -0.544 61.403 62.100 -0.256 0.000 0.985 703 T CB 0.591 69.424 68.868 -0.058 0.000 1.114 703 T HN 0.648 nan 8.240 nan 0.000 0.548 704 I N 3.383 123.885 120.570 -0.114 0.000 2.529 704 I HA 0.251 4.423 4.170 0.003 0.000 0.284 704 I C 1.521 177.539 176.117 -0.165 0.000 1.082 704 I CA -0.070 61.161 61.300 -0.114 0.000 1.406 704 I CB 0.481 38.465 38.000 -0.027 0.000 1.405 704 I HN 0.657 nan 8.210 nan 0.000 0.548 705 D N 3.891 124.097 120.400 -0.323 0.000 2.149 705 D HA -0.170 4.471 4.640 0.003 0.000 0.206 705 D C 0.908 177.130 176.300 -0.129 0.000 0.967 705 D CA 0.882 54.593 54.000 -0.482 0.000 0.848 705 D CB 0.108 40.586 40.800 -0.536 0.000 0.998 705 D HN 0.727 nan 8.370 nan 0.000 0.474 706 E N -0.379 119.774 120.200 -0.078 0.000 2.210 706 E HA -0.211 4.141 4.350 0.003 0.000 0.201 706 E C -0.928 175.668 176.600 -0.006 0.000 1.339 706 E CA 0.137 56.524 56.400 -0.021 0.000 0.699 706 E CB -1.457 28.238 29.700 -0.008 0.000 1.126 706 E HN 0.441 nan 8.360 nan 0.000 0.355 707 I N 2.899 123.461 120.570 -0.014 0.000 2.642 707 I HA 0.081 4.253 4.170 0.003 0.000 0.273 707 I C -0.067 176.042 176.117 -0.012 0.000 1.208 707 I CA -0.984 60.315 61.300 -0.002 0.000 1.037 707 I CB 1.348 39.359 38.000 0.018 0.000 1.253 707 I HN 0.077 nan 8.210 nan 0.000 0.504 708 Q N 5.183 124.974 119.800 -0.015 0.000 2.549 708 Q HA 0.045 4.386 4.340 0.003 0.000 0.347 708 Q C -0.432 175.553 176.000 -0.024 0.000 1.081 708 Q CA 1.070 56.862 55.803 -0.019 0.000 1.093 708 Q CB 0.725 29.447 28.738 -0.027 0.000 1.067 708 Q HN 0.578 nan 8.270 nan 0.000 0.398 709 K N 1.530 121.923 120.400 -0.011 0.000 2.409 709 K HA 0.578 4.899 4.320 0.003 0.000 0.252 709 K C -0.498 176.112 176.600 0.018 0.000 1.036 709 K CA -1.000 55.288 56.287 0.002 0.000 0.871 709 K CB 1.412 33.920 32.500 0.014 0.000 1.374 709 K HN 0.343 nan 8.250 nan 0.000 0.459 710 L N 1.573 122.816 121.223 0.033 0.000 2.295 710 L HA 0.321 4.663 4.340 0.003 0.000 0.285 710 L C -0.513 176.413 176.870 0.094 0.000 1.035 710 L CA -0.623 54.244 54.840 0.045 0.000 0.806 710 L CB 0.885 42.959 42.059 0.025 0.000 1.214 710 L HN 0.544 nan 8.230 nan 0.000 0.426 711 H N 3.645 122.703 119.070 -0.020 0.000 2.472 711 H HA 0.583 5.141 4.556 0.003 0.000 0.338 711 H C -0.963 174.344 175.328 -0.035 0.000 1.133 711 H CA -0.356 55.677 56.048 -0.024 0.000 1.216 711 H CB 1.387 31.133 29.762 -0.026 0.000 1.497 711 H HN 0.380 nan 8.280 nan 0.000 0.500 712 I N 4.980 125.241 120.570 -0.516 0.000 2.389 712 I HA 0.325 4.497 4.170 0.003 0.000 0.288 712 I C -0.267 175.571 176.117 -0.465 0.000 0.999 712 I CA -0.816 60.263 61.300 -0.369 0.000 1.129 712 I CB 1.101 38.971 38.000 -0.216 0.000 1.288 712 I HN 0.343 nan 8.210 nan 0.000 0.444 713 R N 3.911 124.217 120.500 -0.323 0.000 2.338 713 R HA 0.491 4.833 4.340 0.003 0.000 0.317 713 R C -0.738 175.403 176.300 -0.266 0.000 0.968 713 R CA -0.278 55.656 56.100 -0.276 0.000 0.849 713 R CB 1.967 32.127 30.300 -0.234 0.000 1.128 713 R HN 0.667 nan 8.270 nan 0.000 0.448 714 T N 1.373 115.789 114.554 -0.229 0.000 2.824 714 T HA 0.429 4.781 4.350 0.003 0.000 0.282 714 T C -0.852 173.728 174.700 -0.200 0.000 0.993 714 T CA -0.540 61.433 62.100 -0.212 0.000 0.967 714 T CB 1.184 69.954 68.868 -0.163 0.000 0.960 714 T HN 0.166 nan 8.240 nan 0.000 0.441 715 V N 7.635 127.425 119.914 -0.207 0.000 2.250 715 V HA 0.364 4.486 4.120 0.003 0.000 0.268 715 V C -2.194 173.844 176.094 -0.094 0.000 1.043 715 V CA -1.824 60.395 62.300 -0.135 0.000 0.814 715 V CB 0.486 32.232 31.823 -0.128 0.000 1.072 715 V HN 0.804 nan 8.190 nan 0.000 0.451 716 P HA 0.049 nan 4.420 nan 0.000 0.268 716 P C 0.560 177.799 177.300 -0.102 0.000 1.189 716 P CA 0.592 63.560 63.100 -0.218 0.000 0.771 716 P CB 0.707 32.224 31.700 -0.305 0.000 0.822 717 L N 0.522 121.639 121.223 -0.177 0.000 3.076 717 L HA 0.162 4.504 4.340 0.003 0.000 0.271 717 L C 0.076 177.033 176.870 0.145 0.000 1.152 717 L CA -0.113 54.742 54.840 0.024 0.000 0.996 717 L CB -0.031 42.015 42.059 -0.022 0.000 1.453 717 L HN 0.348 nan 8.230 nan 0.000 0.571 718 Y N 1.624 121.911 120.300 -0.022 0.000 3.978 718 Y HA -0.295 4.256 4.550 0.003 0.000 0.219 718 Y C 0.506 176.390 175.900 -0.026 0.000 1.153 718 Y CA 1.088 59.178 58.100 -0.017 0.000 1.718 718 Y CB -2.023 36.426 38.460 -0.018 0.000 1.541 718 Y HN 0.558 nan 8.280 nan 0.000 0.640 719 E N -1.879 118.341 120.200 0.033 0.000 2.478 719 E HA 0.541 4.893 4.350 0.003 0.000 0.293 719 E C -0.826 175.735 176.600 -0.065 0.000 1.011 719 E CA -0.532 55.855 56.400 -0.022 0.000 0.834 719 E CB 1.010 30.692 29.700 -0.031 0.000 1.226 719 E HN 0.014 nan 8.360 nan 0.000 0.419 720 S N 3.610 119.247 115.700 -0.106 0.000 2.549 720 S HA 0.303 4.775 4.470 0.003 0.000 0.286 720 S C -2.023 172.499 174.600 -0.131 0.000 1.314 720 S CA -0.692 57.444 58.200 -0.106 0.000 1.062 720 S CB 0.134 63.248 63.200 -0.142 0.000 0.865 720 S HN 0.493 nan 8.310 nan 0.000 0.498 721 P HA 0.529 nan 4.420 nan 0.000 0.296 721 P C -0.362 176.900 177.300 -0.063 0.000 1.310 721 P CA -0.884 62.170 63.100 -0.078 0.000 0.900 721 P CB 1.741 33.408 31.700 -0.054 0.000 1.111 722 R N 0.648 121.116 120.500 -0.053 0.000 2.383 722 R HA 0.324 4.666 4.340 0.003 0.000 0.205 722 R C 0.386 176.698 176.300 0.020 0.000 0.875 722 R CA 0.345 56.435 56.100 -0.016 0.000 1.039 722 R CB 0.179 30.465 30.300 -0.025 0.000 1.267 722 R HN 0.407 nan 8.270 nan 0.000 0.635 723 K N 0.124 120.537 120.400 0.022 0.000 2.533 723 K HA 0.589 4.911 4.320 0.003 0.000 0.272 723 K C -1.724 174.908 176.600 0.053 0.000 0.985 723 K CA -0.614 55.703 56.287 0.049 0.000 0.876 723 K CB 2.422 34.964 32.500 0.071 0.000 1.452 723 K HN -0.018 nan 8.250 nan 0.000 0.439 724 I N 0.610 121.225 120.570 0.075 0.000 2.842 724 I HA 0.587 4.758 4.170 0.003 0.000 0.297 724 I C -1.708 174.506 176.117 0.161 0.000 1.380 724 I CA -0.422 60.937 61.300 0.097 0.000 1.018 724 I CB 1.513 39.521 38.000 0.014 0.000 1.311 724 I HN 0.706 nan 8.210 nan 0.000 0.439 725 C N 4.308 123.769 119.300 0.268 0.000 3.171 725 C HA 0.561 5.023 4.460 0.003 0.000 0.308 725 C C -1.463 173.821 174.990 0.490 0.000 1.334 725 C CA -0.559 58.638 59.018 0.299 0.000 1.473 725 C CB 1.996 29.858 27.740 0.203 0.000 1.866 725 C HN 0.660 nan 8.230 nan 0.000 0.465 726 Y N 1.622 122.051 120.300 0.215 0.000 2.328 726 Y HA 0.562 5.113 4.550 0.003 0.000 0.336 726 Y C -0.148 175.686 175.900 -0.111 0.000 0.960 726 Y CA -0.299 57.859 58.100 0.096 0.000 1.134 726 Y CB 0.976 39.528 38.460 0.152 0.000 1.166 726 Y HN 0.709 nan 8.280 nan 0.000 0.464 727 Q N 4.236 123.546 119.800 -0.817 0.000 2.406 727 Q HA 0.168 4.510 4.340 0.003 0.000 0.242 727 Q C 0.606 175.970 176.000 -1.060 0.000 1.036 727 Q CA -0.059 55.282 55.803 -0.771 0.000 0.904 727 Q CB 0.992 29.457 28.738 -0.455 0.000 1.244 727 Q HN 0.764 nan 8.270 nan 0.000 0.478 728 E N 2.875 122.580 120.200 -0.826 0.000 2.515 728 E HA -0.108 4.244 4.350 0.003 0.000 0.201 728 E C 0.689 177.102 176.600 -0.311 0.000 1.071 728 E CA 1.216 57.287 56.400 -0.549 0.000 0.880 728 E CB 0.158 29.724 29.700 -0.225 0.000 0.828 728 E HN 0.553 nan 8.360 nan 0.000 0.540 729 V N -4.499 115.234 119.914 -0.300 0.000 3.359 729 V HA 0.252 4.374 4.120 0.003 0.000 0.245 729 V C 1.609 177.627 176.094 -0.127 0.000 1.247 729 V CA 0.573 62.768 62.300 -0.176 0.000 1.145 729 V CB 0.336 32.067 31.823 -0.153 0.000 0.906 729 V HN 0.116 nan 8.190 nan 0.000 0.464 730 S N 0.399 116.019 115.700 -0.133 0.000 2.575 730 S HA 0.124 4.596 4.470 0.003 0.000 0.215 730 S C 0.672 175.211 174.600 -0.103 0.000 0.966 730 S CA 0.197 58.392 58.200 -0.009 0.000 0.911 730 S CB -0.273 63.028 63.200 0.168 0.000 0.780 730 S HN 0.668 nan 8.310 nan 0.000 0.514 731 Q N -0.109 119.557 119.800 -0.222 0.000 2.435 731 Q HA -0.209 4.133 4.340 0.003 0.000 0.286 731 Q C 0.134 175.899 176.000 -0.392 0.000 1.229 731 Q CA 1.022 56.663 55.803 -0.270 0.000 0.884 731 Q CB -2.822 25.828 28.738 -0.146 0.000 1.245 731 Q HN 0.846 nan 8.270 nan 0.000 0.488 732 C N -3.505 115.541 119.300 -0.424 0.000 3.080 732 C HA 0.860 5.322 4.460 0.003 0.000 0.307 732 C C 0.113 174.852 174.990 -0.419 0.000 1.311 732 C CA -1.359 57.401 59.018 -0.429 0.000 1.533 732 C CB 1.619 29.124 27.740 -0.391 0.000 1.970 732 C HN 0.182 nan 8.230 nan 0.000 0.467 733 F N 0.425 120.324 119.950 -0.085 0.000 2.450 733 F HA 0.661 5.189 4.527 0.003 0.000 0.328 733 F C 1.114 176.922 175.800 0.012 0.000 1.068 733 F CA 0.202 58.228 58.000 0.044 0.000 1.007 733 F CB 1.829 40.850 39.000 0.035 0.000 1.251 733 F HN 1.000 nan 8.300 nan 0.000 0.492 734 G N 0.787 109.838 108.800 0.420 0.000 2.417 734 G HA2 0.572 4.533 3.960 0.003 0.000 0.320 734 G HA3 0.572 4.533 3.960 0.003 0.000 0.320 734 G C -1.931 173.060 174.900 0.151 0.000 1.204 734 G CA -0.482 44.757 45.100 0.233 0.000 0.923 734 G HN 0.461 nan 8.290 nan 0.000 0.466 735 V N 4.236 124.169 119.914 0.032 0.000 2.488 735 V HA 0.283 4.404 4.120 0.003 0.000 0.293 735 V C -0.002 176.097 176.094 0.007 0.000 1.027 735 V CA -0.590 61.726 62.300 0.026 0.000 0.862 735 V CB 1.435 33.261 31.823 0.006 0.000 1.008 735 V HN 0.676 nan 8.190 nan 0.000 0.428 736 L N 4.946 126.186 121.223 0.028 0.000 2.360 736 L HA 0.486 4.827 4.340 0.003 0.000 0.276 736 L C 0.906 177.753 176.870 -0.039 0.000 1.121 736 L CA 0.489 55.345 54.840 0.026 0.000 0.845 736 L CB 1.135 43.214 42.059 0.033 0.000 1.143 736 L HN 0.846 nan 8.230 nan 0.000 0.452 737 S N 1.653 117.314 115.700 -0.065 0.000 2.788 737 S HA 0.820 5.291 4.470 0.003 0.000 0.291 737 S C -0.243 174.182 174.600 -0.291 0.000 1.061 737 S CA -0.412 57.705 58.200 -0.139 0.000 0.923 737 S CB 1.956 65.100 63.200 -0.094 0.000 1.339 737 S HN 0.598 nan 8.310 nan 0.000 0.591 738 S N -0.095 115.419 115.700 -0.309 0.000 2.674 738 S HA 0.361 4.833 4.470 0.003 0.000 0.321 738 S C -1.313 173.101 174.600 -0.310 0.000 0.934 738 S CA -0.882 57.035 58.200 -0.472 0.000 0.827 738 S CB 0.286 62.903 63.200 -0.971 0.000 1.041 738 S HN 1.159 nan 8.310 nan 0.000 0.470 739 R N 3.882 124.252 120.500 -0.216 0.000 2.832 739 R HA 0.825 5.167 4.340 0.003 0.000 0.271 739 R C -0.801 175.401 176.300 -0.164 0.000 0.996 739 R CA -1.073 54.929 56.100 -0.163 0.000 0.977 739 R CB 1.103 31.348 30.300 -0.093 0.000 1.168 739 R HN 0.527 nan 8.270 nan 0.000 0.482 740 I N 1.458 121.935 120.570 -0.155 0.000 2.359 740 I HA 0.276 4.448 4.170 0.003 0.000 0.294 740 I C -0.211 175.864 176.117 -0.070 0.000 0.987 740 I CA -0.600 60.621 61.300 -0.131 0.000 1.225 740 I CB 1.824 39.730 38.000 -0.157 0.000 1.366 740 I HN 0.642 nan 8.210 nan 0.000 0.466 741 E N 4.798 124.967 120.200 -0.051 0.000 2.288 741 E HA 0.442 4.794 4.350 0.003 0.000 0.268 741 E C -0.801 175.783 176.600 -0.028 0.000 0.885 741 E CA -0.787 55.592 56.400 -0.035 0.000 0.767 741 E CB 2.959 32.640 29.700 -0.032 0.000 1.220 741 E HN 0.411 nan 8.360 nan 0.000 0.427 742 V N -0.079 119.818 119.914 -0.028 0.000 3.556 742 V HA 0.377 4.499 4.120 0.003 0.000 0.292 742 V C -0.150 175.921 176.094 -0.037 0.000 1.030 742 V CA -0.729 61.549 62.300 -0.036 0.000 1.009 742 V CB 0.994 32.791 31.823 -0.043 0.000 1.242 742 V HN 0.551 nan 8.190 nan 0.000 0.431 743 Q N 0.575 120.342 119.800 -0.056 0.000 2.271 743 Q HA 0.512 4.854 4.340 0.003 0.000 0.258 743 Q C -1.426 174.542 176.000 -0.052 0.000 0.936 743 Q CA 0.037 55.811 55.803 -0.048 0.000 0.909 743 Q CB 1.312 30.015 28.738 -0.058 0.000 1.253 743 Q HN 0.985 nan 8.270 nan 0.000 0.440 744 D N 1.375 121.759 120.400 -0.026 0.000 2.476 744 D HA 0.178 4.820 4.640 0.003 0.000 0.251 744 D C 0.657 176.956 176.300 -0.001 0.000 1.291 744 D CA 0.150 54.139 54.000 -0.019 0.000 0.939 744 D CB 1.101 41.891 40.800 -0.017 0.000 1.221 744 D HN 0.653 nan 8.370 nan 0.000 0.567 745 T N 1.081 115.640 114.554 0.008 0.000 2.693 745 T HA -0.360 3.992 4.350 0.003 0.000 0.263 745 T C 1.761 176.472 174.700 0.019 0.000 1.046 745 T CA 1.977 64.091 62.100 0.024 0.000 1.160 745 T CB -0.704 68.182 68.868 0.030 0.000 0.853 745 T HN 0.371 nan 8.240 nan 0.000 0.462 746 S N 1.566 117.273 115.700 0.012 0.000 2.598 746 S HA -0.142 4.330 4.470 0.003 0.000 0.536 746 S C 1.962 176.570 174.600 0.014 0.000 0.921 746 S CA 2.227 60.434 58.200 0.011 0.000 3.372 746 S CB -1.351 61.852 63.200 0.005 0.000 2.343 746 S HN 1.037 nan 8.310 nan 0.000 0.438 747 G N -1.091 107.715 108.800 0.011 0.000 3.020 747 G HA2 0.553 4.515 3.960 0.003 0.000 0.217 747 G HA3 0.553 4.515 3.960 0.003 0.000 0.217 747 G C 0.575 175.483 174.900 0.013 0.000 1.144 747 G CA 0.587 45.695 45.100 0.013 0.000 0.760 747 G HN 1.314 nan 8.290 nan 0.000 0.548 748 G N -0.147 108.659 108.800 0.010 0.000 2.564 748 G HA2 0.344 4.305 3.960 0.003 0.000 0.139 748 G HA3 0.344 4.305 3.960 0.003 0.000 0.139 748 G C -0.378 174.522 174.900 -0.001 0.000 1.147 748 G CA 0.162 45.267 45.100 0.008 0.000 1.031 748 G HN 0.761 nan 8.290 nan 0.000 0.482 749 T N -0.205 114.347 114.554 -0.003 0.000 2.794 749 T HA 0.604 4.956 4.350 0.003 0.000 0.296 749 T C -0.015 174.676 174.700 -0.015 0.000 0.949 749 T CA 0.449 62.543 62.100 -0.010 0.000 1.101 749 T CB 1.295 70.157 68.868 -0.009 0.000 0.905 749 T HN 0.604 nan 8.240 nan 0.000 0.516 750 T N 2.335 116.878 114.554 -0.019 0.000 2.932 750 T HA 0.721 5.073 4.350 0.003 0.000 0.289 750 T C 0.813 175.499 174.700 -0.024 0.000 1.039 750 T CA -0.466 61.622 62.100 -0.021 0.000 1.024 750 T CB 1.483 70.339 68.868 -0.020 0.000 1.090 750 T HN 1.007 nan 8.240 nan 0.000 0.496 751 A N 0.825 123.629 122.820 -0.026 0.000 2.245 751 A HA 0.536 4.857 4.320 0.003 0.000 0.279 751 A C 0.927 178.497 177.584 -0.023 0.000 1.290 751 A CA 0.126 52.147 52.037 -0.028 0.000 0.819 751 A CB -0.184 18.798 19.000 -0.031 0.000 1.173 751 A HN 0.859 nan 8.150 nan 0.000 0.508 752 L N -1.856 119.356 121.223 -0.019 0.000 2.803 752 L HA 0.280 4.622 4.340 0.003 0.000 0.246 752 L C 0.686 177.551 176.870 -0.009 0.000 1.100 752 L CA 0.420 55.255 54.840 -0.009 0.000 0.919 752 L CB 0.186 42.247 42.059 0.003 0.000 1.285 752 L HN 0.938 nan 8.230 nan 0.000 0.522 753 R N -1.419 119.070 120.500 -0.018 0.000 3.033 753 R HA 0.355 4.696 4.340 0.003 0.000 0.284 753 R C -3.106 173.164 176.300 -0.050 0.000 0.997 753 R CA -1.155 54.924 56.100 -0.034 0.000 0.851 753 R CB 0.002 30.291 30.300 -0.019 0.000 1.297 753 R HN -0.332 nan 8.270 nan 0.000 0.518 754 P HA 0.268 nan 4.420 nan 0.000 0.272 754 P C -0.989 176.258 177.300 -0.088 0.000 1.254 754 P CA -0.079 62.962 63.100 -0.099 0.000 0.795 754 P CB 0.643 32.259 31.700 -0.141 0.000 1.022 755 S N -2.224 113.444 115.700 -0.053 0.000 2.688 755 S HA 0.506 4.977 4.470 0.003 0.000 0.269 755 S C 0.758 175.372 174.600 0.023 0.000 1.060 755 S CA -0.298 57.919 58.200 0.028 0.000 0.844 755 S CB 0.208 63.441 63.200 0.055 0.000 1.095 755 S HN 0.390 nan 8.310 nan 0.000 0.466 756 A N 2.102 124.960 122.820 0.064 0.000 1.906 756 A HA -0.212 4.110 4.320 0.003 0.000 0.222 756 A C 2.462 180.036 177.584 -0.015 0.000 1.282 756 A CA 3.773 55.828 52.037 0.030 0.000 0.675 756 A CB -2.031 16.983 19.000 0.024 0.000 0.838 756 A HN 1.975 nan 8.150 nan 0.000 0.469 757 S N -1.176 114.504 115.700 -0.033 0.000 2.406 757 S HA -0.123 4.348 4.470 0.003 0.000 0.228 757 S C 1.808 176.367 174.600 -0.068 0.000 1.020 757 S CA 1.852 60.014 58.200 -0.062 0.000 0.965 757 S CB -1.225 61.936 63.200 -0.065 0.000 0.798 757 S HN 1.002 nan 8.310 nan 0.000 0.488 758 T N -1.434 113.088 114.554 -0.053 0.000 3.100 758 T HA 0.179 4.531 4.350 0.003 0.000 0.253 758 T C 0.454 175.124 174.700 -0.051 0.000 1.118 758 T CA -0.046 62.022 62.100 -0.054 0.000 1.058 758 T CB -0.120 68.719 68.868 -0.048 0.000 0.953 758 T HN 0.294 nan 8.240 nan 0.000 0.515 759 Q N 0.931 120.704 119.800 -0.045 0.000 3.244 759 Q HA 0.730 5.072 4.340 0.003 0.000 0.249 759 Q C -0.805 175.177 176.000 -0.029 0.000 0.951 759 Q CA -0.300 55.480 55.803 -0.038 0.000 0.740 759 Q CB 1.202 29.916 28.738 -0.041 0.000 1.334 759 Q HN 0.543 nan 8.270 nan 0.000 0.448 760 A N 0.785 123.584 122.820 -0.035 0.000 2.483 760 A HA 0.765 5.087 4.320 0.003 0.000 0.286 760 A C 0.329 177.908 177.584 -0.009 0.000 1.207 760 A CA -0.583 51.439 52.037 -0.025 0.000 0.764 760 A CB 0.861 19.829 19.000 -0.053 0.000 1.341 760 A HN 0.423 nan 8.150 nan 0.000 0.428 761 L N 0.337 121.571 121.223 0.018 0.000 1.851 761 L HA 0.008 4.349 4.340 0.003 0.000 0.228 761 L C 1.483 178.388 176.870 0.058 0.000 1.095 761 L CA 1.134 55.999 54.840 0.042 0.000 1.147 761 L CB -0.697 41.402 42.059 0.066 0.000 1.019 761 L HN 0.864 nan 8.230 nan 0.000 0.580 762 S N -0.020 115.765 115.700 0.142 0.000 2.584 762 S HA 0.319 4.791 4.470 0.003 0.000 0.270 762 S C -0.213 174.446 174.600 0.099 0.000 1.346 762 S CA -0.350 58.000 58.200 0.249 0.000 1.018 762 S CB 1.050 64.510 63.200 0.432 0.000 0.899 762 S HN 0.511 nan 8.310 nan 0.000 0.542 763 S N -0.546 115.168 115.700 0.024 0.000 2.511 763 S HA 0.505 4.977 4.470 0.003 0.000 0.283 763 S C -0.760 173.806 174.600 -0.056 0.000 1.078 763 S CA -0.813 57.219 58.200 -0.281 0.000 0.994 763 S CB 0.325 63.405 63.200 -0.199 0.000 1.171 763 S HN 1.184 nan 8.310 nan 0.000 0.444 764 S N 1.697 117.387 115.700 -0.016 0.000 2.568 764 S HA 0.915 5.387 4.470 0.003 0.000 0.302 764 S C 0.206 174.741 174.600 -0.109 0.000 1.082 764 S CA -0.457 57.793 58.200 0.084 0.000 1.009 764 S CB 1.268 64.648 63.200 0.301 0.000 1.069 764 S HN 1.928 nan 8.310 nan 0.000 0.500 765 V N -0.752 119.096 119.914 -0.110 0.000 3.093 765 V HA 0.766 4.887 4.120 0.003 0.000 0.320 765 V C 0.334 176.330 176.094 -0.163 0.000 1.093 765 V CA -0.881 61.278 62.300 -0.234 0.000 1.016 765 V CB 1.320 33.069 31.823 -0.123 0.000 1.096 765 V HN 0.950 nan 8.190 nan 0.000 0.452 766 S N 1.661 117.241 115.700 -0.199 0.000 2.505 766 S HA 0.490 4.962 4.470 0.003 0.000 0.276 766 S C 0.184 174.803 174.600 0.033 0.000 1.274 766 S CA 0.096 58.298 58.200 0.004 0.000 1.053 766 S CB 0.005 63.219 63.200 0.024 0.000 0.919 766 S HN 1.630 nan 8.310 nan 0.000 0.490 767 S N 3.428 119.169 115.700 0.068 0.000 2.498 767 S HA 0.747 5.219 4.470 0.003 0.000 0.317 767 S C -0.611 174.029 174.600 0.067 0.000 1.090 767 S CA -0.601 57.631 58.200 0.054 0.000 1.089 767 S CB 1.249 64.481 63.200 0.055 0.000 0.997 767 S HN 0.846 nan 8.310 nan 0.000 0.470 768 S N 2.682 118.425 115.700 0.072 0.000 2.658 768 S HA 0.373 4.845 4.470 0.003 0.000 0.312 768 S C -1.767 172.900 174.600 0.112 0.000 1.006 768 S CA -0.890 57.364 58.200 0.090 0.000 0.855 768 S CB 0.520 63.782 63.200 0.104 0.000 1.053 768 S HN 0.836 nan 8.310 nan 0.000 0.455 769 K N 4.957 125.430 120.400 0.122 0.000 3.271 769 K HA 0.371 4.692 4.320 0.003 0.000 0.192 769 K C 0.476 177.171 176.600 0.159 0.000 1.108 769 K CA -0.310 56.058 56.287 0.136 0.000 0.902 769 K CB 0.379 32.931 32.500 0.086 0.000 0.889 769 K HN 0.519 nan 8.250 nan 0.000 0.520 770 L N 0.000 121.381 121.223 0.262 0.000 2.418 770 L HA 0.130 4.472 4.340 0.003 0.000 0.218 770 L C 0.549 177.422 176.870 0.004 0.000 1.125 770 L CA 0.924 55.852 54.840 0.147 0.000 0.835 770 L CB -0.051 42.108 42.059 0.167 0.000 0.953 770 L HN 0.326 nan 8.230 nan 0.000 0.454 771 F N -1.736 118.239 119.950 0.042 0.000 2.654 771 F HA 0.178 4.706 4.527 0.003 0.000 0.303 771 F C 1.998 177.824 175.800 0.043 0.000 1.099 771 F CA -0.233 57.796 58.000 0.048 0.000 1.270 771 F CB -0.263 38.777 39.000 0.067 0.000 1.024 771 F HN -0.162 nan 8.300 nan 0.000 0.548 772 S N -0.490 115.323 115.700 0.188 0.000 2.595 772 S HA -0.118 4.354 4.470 0.003 0.000 0.235 772 S C 2.125 176.767 174.600 0.071 0.000 0.974 772 S CA 0.787 59.057 58.200 0.117 0.000 0.942 772 S CB -0.376 62.877 63.200 0.089 0.000 0.766 772 S HN 0.307 nan 8.310 nan 0.000 0.536 773 S N 2.018 117.749 115.700 0.052 0.000 2.377 773 S HA -0.180 4.291 4.470 0.003 0.000 0.224 773 S C 2.106 176.719 174.600 0.021 0.000 1.042 773 S CA 1.884 60.094 58.200 0.017 0.000 1.086 773 S CB -0.306 62.885 63.200 -0.015 0.000 0.995 773 S HN 0.805 nan 8.310 nan 0.000 0.428 774 S N -1.288 114.429 115.700 0.029 0.000 3.669 774 S HA 0.313 4.785 4.470 0.003 0.000 0.171 774 S C 0.021 174.636 174.600 0.026 0.000 0.855 774 S CA 0.418 58.628 58.200 0.015 0.000 1.037 774 S CB 0.006 63.202 63.200 -0.007 0.000 1.477 774 S HN 0.328 nan 8.310 nan 0.000 0.854 775 T N 1.550 116.114 114.554 0.016 0.000 3.460 775 T HA 0.100 4.452 4.350 0.003 0.000 0.416 775 T C -0.456 174.234 174.700 -0.016 0.000 0.766 775 T CA 0.529 62.649 62.100 0.032 0.000 2.180 775 T CB -2.044 66.893 68.868 0.116 0.000 1.712 775 T HN 1.506 nan 8.240 nan 0.000 0.723 776 A N 3.046 125.814 122.820 -0.087 0.000 2.709 776 A HA 0.664 4.985 4.320 0.003 0.000 0.332 776 A C -1.989 175.478 177.584 -0.195 0.000 1.241 776 A CA -1.183 50.768 52.037 -0.144 0.000 0.782 776 A CB 0.738 19.662 19.000 -0.126 0.000 1.109 776 A HN 0.398 nan 8.150 nan 0.000 0.472 777 P HA 0.355 nan 4.420 nan 0.000 0.297 777 P C -0.912 176.315 177.300 -0.122 0.000 1.342 777 P CA -0.144 62.913 63.100 -0.071 0.000 0.801 777 P CB 0.755 32.499 31.700 0.073 0.000 0.920 778 H N 2.278 121.368 119.070 0.033 0.000 2.557 778 H HA 0.217 4.774 4.556 0.003 0.000 0.236 778 H C 0.132 175.486 175.328 0.044 0.000 1.676 778 H CA 0.148 56.217 56.048 0.034 0.000 1.197 778 H CB 0.327 30.101 29.762 0.020 0.000 1.604 778 H HN 0.588 nan 8.280 nan 0.000 0.509 779 E N -0.342 119.937 120.200 0.133 0.000 2.948 779 E HA -0.010 4.342 4.350 0.003 0.000 0.186 779 E C 1.100 177.769 176.600 0.116 0.000 0.951 779 E CA 0.044 56.517 56.400 0.122 0.000 1.308 779 E CB 0.855 30.621 29.700 0.109 0.000 1.037 779 E HN 0.152 nan 8.360 nan 0.000 0.469 780 T N -0.402 114.213 114.554 0.102 0.000 3.043 780 T HA -0.057 4.295 4.350 0.003 0.000 0.263 780 T C 1.954 176.716 174.700 0.103 0.000 1.094 780 T CA 1.577 63.729 62.100 0.087 0.000 1.127 780 T CB 0.126 69.029 68.868 0.057 0.000 0.905 780 T HN 0.210 nan 8.240 nan 0.000 0.490 781 S N -0.066 115.713 115.700 0.132 0.000 2.489 781 S HA 0.167 4.638 4.470 0.003 0.000 0.228 781 S C 0.349 175.063 174.600 0.190 0.000 0.995 781 S CA -0.383 57.900 58.200 0.139 0.000 0.934 781 S CB -0.461 62.818 63.200 0.132 0.000 0.771 781 S HN 0.554 nan 8.310 nan 0.000 0.522 782 F N 2.234 122.203 119.950 0.032 0.000 2.492 782 F HA 0.684 5.213 4.527 0.003 0.000 0.327 782 F C 0.594 176.409 175.800 0.026 0.000 1.079 782 F CA -1.061 56.955 58.000 0.027 0.000 0.967 782 F CB 0.832 39.848 39.000 0.026 0.000 1.169 782 F HN 0.159 nan 8.300 nan 0.000 0.472 783 G N 4.203 112.595 108.800 -0.680 0.000 2.227 783 G HA2 0.198 4.160 3.960 0.003 0.000 0.250 783 G HA3 0.198 4.160 3.960 0.003 0.000 0.250 783 G C -0.630 174.096 174.900 -0.290 0.000 0.910 783 G CA 0.164 44.965 45.100 -0.498 0.000 0.922 783 G HN 0.782 nan 8.290 nan 0.000 0.385 784 E N 1.246 121.376 120.200 -0.117 0.000 2.423 784 E HA 0.164 4.516 4.350 0.003 0.000 0.280 784 E C -0.712 175.880 176.600 -0.014 0.000 1.030 784 E CA -0.750 55.635 56.400 -0.026 0.000 0.812 784 E CB 1.850 31.571 29.700 0.034 0.000 1.313 784 E HN 0.676 nan 8.360 nan 0.000 0.456 785 E N 0.640 120.846 120.200 0.010 0.000 2.242 785 E HA 0.575 4.927 4.350 0.003 0.000 0.275 785 E C -0.848 175.760 176.600 0.013 0.000 1.002 785 E CA -0.812 55.591 56.400 0.006 0.000 0.841 785 E CB 2.244 31.954 29.700 0.017 0.000 1.109 785 E HN 0.049 nan 8.360 nan 0.000 0.394 786 V N 2.162 122.074 119.914 -0.004 0.000 2.624 786 V HA 0.073 4.195 4.120 0.003 0.000 0.294 786 V C -0.546 175.534 176.094 -0.023 0.000 1.077 786 V CA -0.841 61.464 62.300 0.008 0.000 0.905 786 V CB 1.655 33.488 31.823 0.015 0.000 1.025 786 V HN 0.638 nan 8.190 nan 0.000 0.440 787 E N 2.709 122.889 120.200 -0.033 0.000 2.376 787 E HA 0.340 4.691 4.350 0.003 0.000 0.266 787 E C -0.798 175.786 176.600 -0.028 0.000 1.009 787 E CA -0.022 56.318 56.400 -0.100 0.000 0.902 787 E CB 1.626 31.180 29.700 -0.242 0.000 0.972 787 E HN 0.449 nan 8.360 nan 0.000 0.439 788 V N 4.819 124.743 119.914 0.016 0.000 2.444 788 V HA 0.181 4.302 4.120 0.003 0.000 0.294 788 V C -0.395 175.776 176.094 0.128 0.000 1.022 788 V CA -0.660 61.674 62.300 0.057 0.000 0.850 788 V CB 1.162 32.985 31.823 -0.001 0.000 0.992 788 V HN 0.663 nan 8.190 nan 0.000 0.426 789 H N 4.288 123.296 119.070 -0.104 0.000 2.458 789 H HA 0.527 5.085 4.556 0.003 0.000 0.330 789 H C -0.695 174.736 175.328 0.171 0.000 1.111 789 H CA -0.804 55.205 56.048 -0.066 0.000 1.245 789 H CB 1.882 31.524 29.762 -0.200 0.000 1.456 789 H HN 0.601 nan 8.280 nan 0.000 0.488 790 N N 1.752 120.581 118.700 0.215 0.000 2.453 790 N HA 0.256 4.998 4.740 0.003 0.000 0.290 790 N C -1.272 174.387 175.510 0.248 0.000 1.250 790 N CA -0.843 52.337 53.050 0.217 0.000 0.815 790 N CB 2.748 41.242 38.487 0.012 0.000 1.381 790 N HN 0.257 nan 8.380 nan 0.000 0.510 791 L N 0.935 122.258 121.223 0.167 0.000 2.333 791 L HA 0.545 4.887 4.340 0.003 0.000 0.280 791 L C -1.472 175.343 176.870 -0.091 0.000 1.004 791 L CA -0.377 54.507 54.840 0.073 0.000 0.820 791 L CB 0.824 42.867 42.059 -0.027 0.000 1.247 791 L HN 0.387 nan 8.230 nan 0.000 0.416 792 L N 6.065 127.223 121.223 -0.108 0.000 2.313 792 L HA 0.512 4.854 4.340 0.003 0.000 0.283 792 L C -0.625 176.119 176.870 -0.211 0.000 1.013 792 L CA -0.685 54.073 54.840 -0.138 0.000 0.816 792 L CB 1.814 43.826 42.059 -0.078 0.000 1.236 792 L HN 0.487 nan 8.230 nan 0.000 0.419 793 I N 4.795 125.202 120.570 -0.272 0.000 2.321 793 I HA 0.405 4.577 4.170 0.003 0.000 0.291 793 I C 0.075 176.033 176.117 -0.265 0.000 0.998 793 I CA -0.198 60.846 61.300 -0.426 0.000 1.227 793 I CB 1.569 39.148 38.000 -0.701 0.000 1.368 793 I HN 0.479 nan 8.210 nan 0.000 0.466 794 I N 4.604 125.061 120.570 -0.188 0.000 2.474 794 I HA 0.185 4.356 4.170 0.003 0.000 0.294 794 I C -0.105 175.894 176.117 -0.196 0.000 1.005 794 I CA -0.824 60.408 61.300 -0.113 0.000 1.113 794 I CB 2.332 40.342 38.000 0.015 0.000 1.289 794 I HN 0.450 nan 8.210 nan 0.000 0.436 795 D N 4.411 124.677 120.400 -0.222 0.000 2.371 795 D HA -0.013 4.629 4.640 0.003 0.000 0.256 795 D C 1.069 177.031 176.300 -0.564 0.000 1.193 795 D CA 0.357 54.166 54.000 -0.319 0.000 0.881 795 D CB 1.074 41.762 40.800 -0.187 0.000 1.143 795 D HN 0.516 nan 8.370 nan 0.000 0.473 796 Q N 3.082 122.488 119.800 -0.656 0.000 2.096 796 Q HA -0.301 4.041 4.340 0.003 0.000 0.208 796 Q C 0.984 176.600 176.000 -0.640 0.000 0.993 796 Q CA 1.685 57.055 55.803 -0.721 0.000 0.862 796 Q CB 0.070 28.377 28.738 -0.719 0.000 0.915 796 Q HN 0.705 nan 8.270 nan 0.000 0.416 797 H N -1.377 117.566 119.070 -0.212 0.000 2.317 797 H HA -0.015 4.543 4.556 0.003 0.000 0.304 797 H C 2.319 177.668 175.328 0.034 0.000 1.067 797 H CA 1.906 57.914 56.048 -0.067 0.000 1.352 797 H CB -0.801 28.927 29.762 -0.056 0.000 1.398 797 H HN 0.479 nan 8.280 nan 0.000 0.510 798 T N -2.171 112.444 114.554 0.101 0.000 3.057 798 T HA 0.008 4.359 4.350 0.003 0.000 0.254 798 T C 0.376 175.227 174.700 0.252 0.000 1.094 798 T CA -0.121 62.079 62.100 0.167 0.000 1.088 798 T CB -0.442 68.492 68.868 0.109 0.000 0.934 798 T HN 0.206 nan 8.240 nan 0.000 0.497 799 F N 2.080 122.059 119.950 0.048 0.000 3.091 799 F HA -0.168 4.361 4.527 0.003 0.000 0.288 799 F C 0.339 176.158 175.800 0.031 0.000 0.907 799 F CA 0.712 58.739 58.000 0.046 0.000 1.028 799 F CB -2.155 36.867 39.000 0.036 0.000 1.022 799 F HN 0.588 nan 8.300 nan 0.000 0.665 800 E N -1.206 119.043 120.200 0.080 0.000 2.242 800 E HA 0.602 4.954 4.350 0.003 0.000 0.275 800 E C -0.257 176.361 176.600 0.029 0.000 1.002 800 E CA -1.053 55.387 56.400 0.068 0.000 0.841 800 E CB 2.137 31.869 29.700 0.053 0.000 1.109 800 E HN 0.060 nan 8.360 nan 0.000 0.394 801 V N 4.687 124.618 119.914 0.029 0.000 2.341 801 V HA -0.035 4.086 4.120 0.003 0.000 0.248 801 V C 1.415 177.510 176.094 0.001 0.000 1.107 801 V CA 0.078 62.379 62.300 0.001 0.000 1.069 801 V CB -0.933 30.889 31.823 -0.003 0.000 1.177 801 V HN 0.757 nan 8.190 nan 0.000 0.492 802 L N 2.217 123.437 121.223 -0.005 0.000 1.932 802 L HA -0.064 4.278 4.340 0.003 0.000 0.217 802 L C 1.154 178.094 176.870 0.117 0.000 1.077 802 L CA 1.674 56.549 54.840 0.057 0.000 0.765 802 L CB -0.266 41.836 42.059 0.071 0.000 0.888 802 L HN 0.692 nan 8.230 nan 0.000 0.433 803 H N -1.443 117.622 119.070 -0.008 0.000 2.569 803 H HA 0.580 5.138 4.556 0.003 0.000 0.357 803 H C -0.934 174.360 175.328 -0.058 0.000 1.153 803 H CA -0.671 55.380 56.048 0.004 0.000 1.193 803 H CB 1.650 31.467 29.762 0.090 0.000 1.602 803 H HN 0.151 nan 8.280 nan 0.000 0.523 804 A N 3.980 126.368 122.820 -0.720 0.000 2.842 804 A HA 0.189 4.510 4.320 0.003 0.000 0.339 804 A C -1.159 176.108 177.584 -0.529 0.000 1.177 804 A CA -0.591 51.160 52.037 -0.476 0.000 0.797 804 A CB -0.825 18.016 19.000 -0.265 0.000 1.094 804 A HN 0.889 nan 8.150 nan 0.000 0.474 805 H N 1.345 120.095 119.070 -0.533 0.000 3.017 805 H HA 0.288 4.846 4.556 0.003 0.000 0.276 805 H C 0.515 175.643 175.328 -0.335 0.000 1.062 805 H CA 0.766 56.598 56.048 -0.360 0.000 1.486 805 H CB 0.329 29.884 29.762 -0.345 0.000 1.507 805 H HN 0.722 nan 8.280 nan 0.000 0.508 806 Q N 3.763 123.171 119.800 -0.653 0.000 2.318 806 Q HA 0.270 4.611 4.340 0.003 0.000 0.222 806 Q C -0.939 174.639 176.000 -0.704 0.000 1.003 806 Q CA -0.509 55.019 55.803 -0.459 0.000 0.936 806 Q CB 0.728 29.317 28.738 -0.248 0.000 1.204 806 Q HN 0.611 nan 8.270 nan 0.000 0.524 807 F N 0.081 119.925 119.950 -0.176 0.000 2.575 807 F HA 0.383 4.912 4.527 0.003 0.000 0.330 807 F C -0.268 175.482 175.800 -0.083 0.000 1.056 807 F CA -0.979 56.969 58.000 -0.088 0.000 0.964 807 F CB 1.116 40.111 39.000 -0.008 0.000 1.258 807 F HN 0.392 nan 8.300 nan 0.000 0.484 808 L N 1.762 123.087 121.223 0.170 0.000 2.559 808 L HA -0.025 4.317 4.340 0.003 0.000 0.282 808 L C 0.573 177.448 176.870 0.007 0.000 1.232 808 L CA 0.155 55.019 54.840 0.040 0.000 0.885 808 L CB -0.012 42.032 42.059 -0.026 0.000 1.131 808 L HN 0.608 nan 8.230 nan 0.000 0.498 809 Q N 3.396 123.193 119.800 -0.004 0.000 2.354 809 Q HA -0.134 4.208 4.340 0.003 0.000 0.310 809 Q C 0.434 176.395 176.000 -0.064 0.000 1.104 809 Q CA 0.716 56.511 55.803 -0.015 0.000 0.968 809 Q CB 0.120 28.860 28.738 0.003 0.000 1.251 809 Q HN 0.712 nan 8.270 nan 0.000 0.411 810 N N 0.892 119.548 118.700 -0.073 0.000 2.693 810 N HA -0.262 4.479 4.740 0.003 0.000 0.249 810 N C -0.975 174.393 175.510 -0.238 0.000 1.119 810 N CA 0.792 53.741 53.050 -0.169 0.000 0.717 810 N CB -0.536 37.753 38.487 -0.330 0.000 1.071 810 N HN 0.628 nan 8.380 nan 0.000 0.555 811 E N 0.308 120.425 120.200 -0.139 0.000 2.183 811 E HA 0.349 4.701 4.350 0.003 0.000 0.271 811 E C -1.178 175.304 176.600 -0.196 0.000 0.919 811 E CA -0.593 55.696 56.400 -0.185 0.000 0.781 811 E CB 1.028 30.623 29.700 -0.175 0.000 1.140 811 E HN 0.155 nan 8.360 nan 0.000 0.402 812 Y N 1.339 121.254 120.300 -0.641 0.000 2.409 812 Y HA 0.593 5.145 4.550 0.003 0.000 0.339 812 Y C 0.168 175.770 175.900 -0.497 0.000 1.033 812 Y CA -1.461 56.118 58.100 -0.868 0.000 1.094 812 Y CB 2.117 40.223 38.460 -0.591 0.000 1.210 812 Y HN 0.580 nan 8.280 nan 0.000 0.456 813 A N 3.393 126.134 122.820 -0.132 0.000 2.301 813 A HA 0.675 4.997 4.320 0.003 0.000 0.312 813 A C -0.172 177.419 177.584 0.012 0.000 1.182 813 A CA -0.490 51.430 52.037 -0.195 0.000 0.826 813 A CB 0.295 19.131 19.000 -0.274 0.000 1.134 813 A HN 0.949 nan 8.150 nan 0.000 0.501 814 L N 0.265 121.478 121.223 -0.017 0.000 3.699 814 L HA 0.302 4.644 4.340 0.003 0.000 0.344 814 L C 0.441 177.341 176.870 0.051 0.000 1.196 814 L CA 0.004 54.871 54.840 0.045 0.000 1.202 814 L CB -0.099 41.991 42.059 0.052 0.000 1.592 814 L HN 0.398 nan 8.230 nan 0.000 0.631 815 S N 0.843 116.560 115.700 0.029 0.000 2.715 815 S HA 0.941 5.413 4.470 0.003 0.000 0.307 815 S C -1.294 173.352 174.600 0.077 0.000 1.119 815 S CA -0.470 57.762 58.200 0.053 0.000 0.937 815 S CB 2.744 65.961 63.200 0.029 0.000 1.150 815 S HN 0.116 nan 8.310 nan 0.000 0.521 816 L N 1.267 122.545 121.223 0.091 0.000 3.077 816 L HA 0.688 5.029 4.340 0.003 0.000 0.254 816 L C -1.791 175.143 176.870 0.108 0.000 0.959 816 L CA -0.213 54.702 54.840 0.126 0.000 1.030 816 L CB 1.046 43.192 42.059 0.145 0.000 1.679 816 L HN 0.615 nan 8.230 nan 0.000 0.468 817 V N 2.551 122.526 119.914 0.101 0.000 3.108 817 V HA 0.848 4.970 4.120 0.003 0.000 0.287 817 V C -1.812 174.260 176.094 -0.037 0.000 1.436 817 V CA 0.398 62.723 62.300 0.041 0.000 1.001 817 V CB 2.425 34.264 31.823 0.026 0.000 1.141 817 V HN 1.357 nan 8.190 nan 0.000 0.443 818 S N 5.723 121.349 115.700 -0.122 0.000 2.530 818 S HA 0.897 5.369 4.470 0.003 0.000 0.322 818 S C -0.394 174.092 174.600 -0.191 0.000 1.085 818 S CA 0.192 58.218 58.200 -0.289 0.000 1.096 818 S CB 0.422 63.331 63.200 -0.486 0.000 0.988 818 S HN 2.275 nan 8.310 nan 0.000 0.466 819 C N 2.298 121.496 119.300 -0.170 0.000 3.276 819 C HA 0.750 5.212 4.460 0.003 0.000 0.370 819 C C -1.553 173.366 174.990 -0.119 0.000 1.624 819 C CA -1.103 57.838 59.018 -0.127 0.000 1.179 819 C CB 0.629 28.315 27.740 -0.090 0.000 1.909 819 C HN 0.844 nan 8.230 nan 0.000 0.434 820 K N 0.576 120.916 120.400 -0.099 0.000 2.345 820 K HA 0.804 5.125 4.320 0.003 0.000 0.255 820 K C -1.544 175.010 176.600 -0.077 0.000 0.934 820 K CA -0.270 55.970 56.287 -0.078 0.000 0.801 820 K CB 1.949 34.409 32.500 -0.066 0.000 1.137 820 K HN 0.591 nan 8.250 nan 0.000 0.424 821 L N 1.056 122.222 121.223 -0.095 0.000 2.333 821 L HA 0.515 4.856 4.340 0.003 0.000 0.269 821 L C 1.063 178.033 176.870 0.167 0.000 1.010 821 L CA -0.443 54.359 54.840 -0.063 0.000 0.818 821 L CB 1.691 43.535 42.059 -0.359 0.000 1.306 821 L HN 0.940 nan 8.230 nan 0.000 0.430 822 G N 1.512 110.425 108.800 0.188 0.000 2.672 822 G HA2 -0.373 3.589 3.960 0.003 0.000 0.324 822 G HA3 -0.373 3.589 3.960 0.003 0.000 0.324 822 G C 0.532 175.519 174.900 0.145 0.000 1.286 822 G CA 0.748 45.968 45.100 0.201 0.000 1.004 822 G HN 0.631 nan 8.290 nan 0.000 0.548 823 K N 1.088 121.582 120.400 0.156 0.000 2.358 823 K HA 0.255 4.577 4.320 0.003 0.000 0.197 823 K C 0.629 177.308 176.600 0.131 0.000 1.025 823 K CA 0.355 56.704 56.287 0.104 0.000 1.104 823 K CB 0.294 32.835 32.500 0.068 0.000 0.855 823 K HN 0.473 nan 8.250 nan 0.000 0.531 824 D N 1.476 122.018 120.400 0.237 0.000 2.389 824 D HA -0.006 4.636 4.640 0.003 0.000 0.263 824 D C -1.762 174.635 176.300 0.163 0.000 1.255 824 D CA -1.346 52.824 54.000 0.284 0.000 0.914 824 D CB 1.242 42.414 40.800 0.620 0.000 1.116 824 D HN -0.030 nan 8.370 nan 0.000 0.502 825 P HA -0.045 nan 4.420 nan 0.000 0.226 825 P C 0.515 177.781 177.300 -0.058 0.000 1.153 825 P CA 0.239 63.345 63.100 0.011 0.000 0.777 825 P CB 0.297 32.000 31.700 0.006 0.000 0.794 826 N N -0.106 118.537 118.700 -0.095 0.000 2.256 826 N HA 0.049 4.791 4.740 0.003 0.000 0.252 826 N C 0.052 175.325 175.510 -0.394 0.000 1.274 826 N CA 1.022 53.879 53.050 -0.321 0.000 0.872 826 N CB -0.329 37.772 38.487 -0.644 0.000 0.982 826 N HN -0.123 nan 8.380 nan 0.000 0.445 827 T N 0.489 114.659 114.554 -0.641 0.000 3.842 827 T HA 0.327 4.679 4.350 0.003 0.000 0.336 827 T C -1.473 172.924 174.700 -0.504 0.000 0.900 827 T CA -0.452 61.380 62.100 -0.447 0.000 1.022 827 T CB -0.007 68.677 68.868 -0.307 0.000 1.068 827 T HN 0.226 nan 8.240 nan 0.000 0.464 828 Y N 0.881 121.067 120.300 -0.189 0.000 2.602 828 Y HA 0.746 5.298 4.550 0.003 0.000 0.330 828 Y C -0.174 175.603 175.900 -0.205 0.000 1.114 828 Y CA -1.688 56.341 58.100 -0.118 0.000 1.182 828 Y CB 1.004 39.403 38.460 -0.102 0.000 1.305 828 Y HN 0.530 nan 8.280 nan 0.000 0.502 829 F N 2.126 122.213 119.950 0.228 0.000 2.291 829 F HA 0.422 4.951 4.527 0.003 0.000 0.368 829 F C -0.424 175.519 175.800 0.239 0.000 1.085 829 F CA -0.565 57.532 58.000 0.162 0.000 1.165 829 F CB 0.237 39.298 39.000 0.101 0.000 1.429 829 F HN 0.160 nan 8.300 nan 0.000 0.503 830 I N 4.377 125.088 120.570 0.235 0.000 2.325 830 I HA 0.272 4.444 4.170 0.003 0.000 0.291 830 I C -0.194 176.042 176.117 0.199 0.000 1.019 830 I CA -0.610 60.782 61.300 0.152 0.000 1.302 830 I CB 0.753 38.739 38.000 -0.023 0.000 1.401 830 I HN 0.108 nan 8.210 nan 0.000 0.485 831 V N 4.923 124.995 119.914 0.263 0.000 2.834 831 V HA 0.726 4.847 4.120 0.003 0.000 0.313 831 V C 0.560 176.721 176.094 0.110 0.000 1.060 831 V CA -0.542 61.908 62.300 0.250 0.000 0.989 831 V CB 1.804 33.913 31.823 0.476 0.000 1.041 831 V HN 0.903 nan 8.190 nan 0.000 0.459 832 G N 0.879 109.708 108.800 0.048 0.000 2.683 832 G HA2 0.662 4.624 3.960 0.003 0.000 0.299 832 G HA3 0.662 4.624 3.960 0.003 0.000 0.299 832 G C -0.496 174.356 174.900 -0.080 0.000 1.432 832 G CA 0.096 45.185 45.100 -0.020 0.000 0.978 832 G HN 0.913 nan 8.290 nan 0.000 0.513 833 T N -1.149 113.336 114.554 -0.114 0.000 2.645 833 T HA 0.914 5.265 4.350 0.003 0.000 0.273 833 T C -0.310 174.274 174.700 -0.193 0.000 0.960 833 T CA -0.507 61.480 62.100 -0.189 0.000 1.051 833 T CB 1.998 70.707 68.868 -0.265 0.000 1.366 833 T HN 1.966 nan 8.240 nan 0.000 0.536 834 A N 0.282 122.964 122.820 -0.229 0.000 2.565 834 A HA 0.645 4.967 4.320 0.003 0.000 0.298 834 A C -1.154 176.258 177.584 -0.287 0.000 1.062 834 A CA -0.789 51.108 52.037 -0.234 0.000 0.723 834 A CB 1.432 20.260 19.000 -0.286 0.000 1.282 834 A HN 0.795 nan 8.150 nan 0.000 0.400 835 M N 2.377 121.836 119.600 -0.235 0.000 2.156 835 M HA 0.440 4.922 4.480 0.003 0.000 0.345 835 M C -0.769 175.293 176.300 -0.397 0.000 1.398 835 M CA -0.099 55.017 55.300 -0.307 0.000 1.148 835 M CB 0.546 33.096 32.600 -0.083 0.000 1.663 835 M HN 0.433 nan 8.290 nan 0.000 0.464 836 V N 6.566 126.069 119.914 -0.684 0.000 2.427 836 V HA 0.486 4.608 4.120 0.003 0.000 0.286 836 V C -1.137 174.513 176.094 -0.740 0.000 1.034 836 V CA -0.500 61.394 62.300 -0.678 0.000 0.893 836 V CB 1.206 32.382 31.823 -1.079 0.000 0.982 836 V HN 0.684 nan 8.190 nan 0.000 0.452 837 Y N 4.263 124.474 120.300 -0.148 0.000 2.433 837 Y HA 0.372 4.924 4.550 0.003 0.000 0.337 837 Y C -1.975 173.897 175.900 -0.046 0.000 1.026 837 Y CA -1.827 56.231 58.100 -0.071 0.000 1.037 837 Y CB 1.988 40.425 38.460 -0.038 0.000 1.245 837 Y HN 0.401 nan 8.280 nan 0.000 0.443 838 P HA -0.197 nan 4.420 nan 0.000 0.218 838 P C 1.284 178.632 177.300 0.080 0.000 1.148 838 P CA 1.645 64.794 63.100 0.083 0.000 0.822 838 P CB 0.385 32.133 31.700 0.080 0.000 0.784 839 E N 0.371 120.625 120.200 0.091 0.000 2.268 839 E HA -0.119 4.233 4.350 0.003 0.000 0.195 839 E C 0.223 176.852 176.600 0.047 0.000 0.995 839 E CA 0.912 57.345 56.400 0.055 0.000 0.836 839 E CB -0.456 29.263 29.700 0.032 0.000 0.763 839 E HN 0.366 nan 8.360 nan 0.000 0.491 840 E N -0.147 120.095 120.200 0.070 0.000 2.283 840 E HA 0.405 4.757 4.350 0.003 0.000 0.271 840 E C 0.217 176.848 176.600 0.051 0.000 1.031 840 E CA 0.107 56.543 56.400 0.060 0.000 0.868 840 E CB 1.552 31.307 29.700 0.092 0.000 1.094 840 E HN 0.198 nan 8.360 nan 0.000 0.401 841 A N 2.878 125.724 122.820 0.042 0.000 2.081 841 A HA -0.013 4.309 4.320 0.003 0.000 0.214 841 A C 0.470 178.080 177.584 0.043 0.000 1.158 841 A CA 0.820 52.882 52.037 0.040 0.000 0.724 841 A CB -0.053 18.969 19.000 0.036 0.000 0.826 841 A HN 0.687 nan 8.150 nan 0.000 0.463 842 E N -1.463 118.764 120.200 0.045 0.000 2.429 842 E HA 0.492 4.844 4.350 0.003 0.000 0.280 842 E C -3.362 173.263 176.600 0.042 0.000 1.068 842 E CA -2.211 54.217 56.400 0.047 0.000 0.837 842 E CB 0.772 30.509 29.700 0.062 0.000 1.357 842 E HN -0.081 nan 8.360 nan 0.000 0.455 843 P HA 0.170 nan 4.420 nan 0.000 0.280 843 P C -0.594 176.732 177.300 0.043 0.000 1.244 843 P CA -0.442 62.666 63.100 0.014 0.000 0.784 843 P CB 0.854 32.508 31.700 -0.077 0.000 0.913 844 K N 1.218 121.666 120.400 0.080 0.000 2.367 844 K HA 0.183 4.504 4.320 0.003 0.000 0.195 844 K C 0.091 176.756 176.600 0.109 0.000 1.060 844 K CA 0.072 56.406 56.287 0.079 0.000 1.022 844 K CB 0.451 32.992 32.500 0.068 0.000 0.894 844 K HN 0.397 nan 8.250 nan 0.000 0.540 845 Q N 0.472 120.373 119.800 0.169 0.000 2.365 845 Q HA 0.655 4.997 4.340 0.003 0.000 0.269 845 Q C -0.670 175.474 176.000 0.239 0.000 1.061 845 Q CA -0.978 55.013 55.803 0.313 0.000 0.816 845 Q CB 2.496 31.590 28.738 0.593 0.000 1.325 845 Q HN 0.302 nan 8.270 nan 0.000 0.446 846 G N 0.866 109.841 108.800 0.292 0.000 2.466 846 G HA2 0.602 4.564 3.960 0.003 0.000 0.291 846 G HA3 0.602 4.564 3.960 0.003 0.000 0.291 846 G C -1.808 173.195 174.900 0.172 0.000 1.460 846 G CA -0.905 44.247 45.100 0.087 0.000 0.791 846 G HN 0.595 nan 8.290 nan 0.000 0.505 847 R N -1.024 119.509 120.500 0.055 0.000 2.799 847 R HA 0.724 5.066 4.340 0.003 0.000 0.270 847 R C -1.456 174.861 176.300 0.029 0.000 1.010 847 R CA -1.098 55.058 56.100 0.094 0.000 0.916 847 R CB 1.724 32.111 30.300 0.146 0.000 1.228 847 R HN 0.390 nan 8.270 nan 0.000 0.469 848 I N 2.705 123.286 120.570 0.018 0.000 2.503 848 I HA 0.194 4.366 4.170 0.003 0.000 0.277 848 I C -0.236 175.869 176.117 -0.020 0.000 1.078 848 I CA -0.946 60.337 61.300 -0.028 0.000 1.184 848 I CB 1.681 39.607 38.000 -0.124 0.000 1.353 848 I HN 0.338 nan 8.210 nan 0.000 0.490 849 V N 6.076 125.999 119.914 0.015 0.000 2.924 849 V HA 0.247 4.368 4.120 0.003 0.000 0.305 849 V C 0.294 176.303 176.094 -0.142 0.000 1.073 849 V CA -0.439 61.800 62.300 -0.101 0.000 1.098 849 V CB 1.857 33.600 31.823 -0.133 0.000 1.000 849 V HN 0.297 nan 8.190 nan 0.000 0.484 850 V N 3.855 123.594 119.914 -0.291 0.000 2.483 850 V HA 0.554 4.675 4.120 0.003 0.000 0.297 850 V C -0.688 175.269 176.094 -0.229 0.000 1.027 850 V CA -0.267 61.915 62.300 -0.197 0.000 0.855 850 V CB 1.392 33.057 31.823 -0.263 0.000 0.995 850 V HN 0.684 nan 8.190 nan 0.000 0.424 851 F N 2.228 122.237 119.950 0.098 0.000 2.671 851 F HA 0.746 5.275 4.527 0.003 0.000 0.373 851 F C 0.184 176.197 175.800 0.355 0.000 1.122 851 F CA -0.723 57.371 58.000 0.157 0.000 1.082 851 F CB 1.565 40.624 39.000 0.097 0.000 1.399 851 F HN 0.343 nan 8.300 nan 0.000 0.509 852 Q N 0.362 120.495 119.800 0.555 0.000 2.313 852 Q HA 0.204 4.546 4.340 0.003 0.000 0.260 852 Q C -2.185 173.999 176.000 0.307 0.000 0.972 852 Q CA -0.727 55.319 55.803 0.406 0.000 0.886 852 Q CB 1.651 30.569 28.738 0.299 0.000 1.373 852 Q HN 0.666 nan 8.270 nan 0.000 0.416 853 Y N 3.243 123.645 120.300 0.169 0.000 2.627 853 Y HA 0.220 4.772 4.550 0.003 0.000 0.347 853 Y C 0.723 176.625 175.900 0.004 0.000 1.099 853 Y CA 0.396 58.522 58.100 0.043 0.000 1.408 853 Y CB 0.770 39.279 38.460 0.082 0.000 1.247 853 Y HN 0.764 nan 8.280 nan 0.000 0.506 854 S N 2.821 118.407 115.700 -0.189 0.000 2.325 854 S HA -0.032 4.440 4.470 0.003 0.000 0.213 854 S C -0.398 174.006 174.600 -0.326 0.000 1.031 854 S CA 1.509 59.598 58.200 -0.186 0.000 0.984 854 S CB -0.058 63.063 63.200 -0.132 0.000 0.939 854 S HN 0.810 nan 8.310 nan 0.000 0.438 855 D N -3.068 117.045 120.400 -0.479 0.000 2.633 855 D HA 0.471 5.112 4.640 0.003 0.000 0.198 855 D C 0.046 176.064 176.300 -0.469 0.000 1.273 855 D CA 0.607 54.316 54.000 -0.485 0.000 0.830 855 D CB 1.049 41.704 40.800 -0.242 0.000 1.771 855 D HN 0.392 nan 8.370 nan 0.000 0.547 856 G N 2.813 111.296 108.800 -0.528 0.000 2.377 856 G HA2 -0.317 3.645 3.960 0.003 0.000 0.250 856 G HA3 -0.317 3.645 3.960 0.003 0.000 0.250 856 G C 0.241 174.971 174.900 -0.284 0.000 1.039 856 G CA 1.356 46.300 45.100 -0.259 0.000 0.625 856 G HN 0.742 nan 8.290 nan 0.000 0.526 857 K N -0.903 119.194 120.400 -0.506 0.000 2.548 857 K HA 0.774 5.096 4.320 0.003 0.000 0.282 857 K C -0.409 175.913 176.600 -0.463 0.000 1.006 857 K CA -1.288 54.648 56.287 -0.585 0.000 0.892 857 K CB 1.121 33.315 32.500 -0.511 0.000 1.499 857 K HN 0.180 nan 8.250 nan 0.000 0.433 858 L N 0.438 121.385 121.223 -0.459 0.000 2.468 858 L HA 0.334 4.676 4.340 0.003 0.000 0.254 858 L C -0.443 176.437 176.870 0.017 0.000 1.171 858 L CA -0.515 54.274 54.840 -0.086 0.000 0.809 858 L CB 0.817 42.834 42.059 -0.071 0.000 1.155 858 L HN 0.696 nan 8.230 nan 0.000 0.473 859 Q N 0.288 120.197 119.800 0.181 0.000 2.759 859 Q HA 0.162 4.504 4.340 0.003 0.000 0.225 859 Q C -1.223 174.873 176.000 0.159 0.000 0.823 859 Q CA -0.268 55.623 55.803 0.147 0.000 0.828 859 Q CB 1.224 30.011 28.738 0.081 0.000 1.425 859 Q HN 0.548 nan 8.270 nan 0.000 0.449 860 T N 3.348 117.939 114.554 0.062 0.000 2.669 860 T HA -0.001 4.351 4.350 0.003 0.000 0.245 860 T C 1.334 175.996 174.700 -0.063 0.000 1.053 860 T CA 0.370 62.366 62.100 -0.173 0.000 1.387 860 T CB -0.174 68.560 68.868 -0.224 0.000 1.045 860 T HN 0.383 nan 8.240 nan 0.000 0.531 861 V N 2.825 122.730 119.914 -0.014 0.000 2.267 861 V HA 0.072 4.193 4.120 0.003 0.000 0.228 861 V C 1.754 177.854 176.094 0.010 0.000 1.040 861 V CA 1.402 63.732 62.300 0.050 0.000 1.010 861 V CB -0.826 31.064 31.823 0.111 0.000 0.649 861 V HN 0.920 nan 8.190 nan 0.000 0.464 862 A N -0.289 122.552 122.820 0.036 0.000 2.249 862 A HA 0.558 4.880 4.320 0.003 0.000 0.281 862 A C 0.369 177.939 177.584 -0.023 0.000 1.127 862 A CA 0.004 52.088 52.037 0.078 0.000 0.833 862 A CB 0.594 19.801 19.000 0.346 0.000 1.140 862 A HN 0.525 nan 8.150 nan 0.000 0.502 863 E N -0.012 120.193 120.200 0.010 0.000 2.593 863 E HA 0.104 4.455 4.350 0.003 0.000 0.363 863 E C -1.106 175.519 176.600 0.043 0.000 1.059 863 E CA -0.244 56.153 56.400 -0.006 0.000 0.751 863 E CB 0.180 29.867 29.700 -0.023 0.000 1.428 863 E HN 0.617 nan 8.360 nan 0.000 0.396 864 K N 0.967 121.401 120.400 0.057 0.000 2.136 864 K HA 0.291 4.613 4.320 0.003 0.000 0.237 864 K C -0.090 176.572 176.600 0.103 0.000 1.048 864 K CA -0.060 56.281 56.287 0.090 0.000 0.880 864 K CB 0.742 33.309 32.500 0.111 0.000 1.105 864 K HN 0.346 nan 8.250 nan 0.000 0.507 865 E N 0.028 120.302 120.200 0.124 0.000 2.392 865 E HA 0.623 4.975 4.350 0.003 0.000 0.269 865 E C -1.907 174.776 176.600 0.139 0.000 0.924 865 E CA -1.086 55.396 56.400 0.137 0.000 0.784 865 E CB 2.030 31.780 29.700 0.084 0.000 1.292 865 E HN 0.257 nan 8.360 nan 0.000 0.447 866 V N 1.733 121.733 119.914 0.143 0.000 3.236 866 V HA 0.314 4.435 4.120 0.003 0.000 0.287 866 V C -1.947 174.216 176.094 0.116 0.000 1.491 866 V CA -0.761 61.615 62.300 0.127 0.000 1.037 866 V CB 2.268 34.174 31.823 0.139 0.000 1.160 866 V HN 0.671 nan 8.190 nan 0.000 0.453 867 K N 3.823 124.278 120.400 0.092 0.000 2.206 867 K HA 0.696 5.018 4.320 0.003 0.000 0.268 867 K C 0.039 176.683 176.600 0.073 0.000 1.111 867 K CA 0.532 56.868 56.287 0.081 0.000 0.955 867 K CB 0.861 33.399 32.500 0.063 0.000 1.406 867 K HN 1.421 nan 8.250 nan 0.000 0.427 868 G N 1.291 110.129 108.800 0.065 0.000 2.459 868 G HA2 0.120 4.082 3.960 0.003 0.000 0.685 868 G HA3 0.120 4.082 3.960 0.003 0.000 0.685 868 G C -0.726 174.136 174.900 -0.063 0.000 1.303 868 G CA -0.799 44.310 45.100 0.015 0.000 0.907 868 G HN 0.601 nan 8.290 nan 0.000 0.632 869 A N -0.783 121.925 122.820 -0.187 0.000 2.586 869 A HA 0.477 4.799 4.320 0.003 0.000 0.231 869 A C 0.918 178.258 177.584 -0.406 0.000 1.055 869 A CA 0.891 52.673 52.037 -0.425 0.000 0.756 869 A CB 0.245 18.708 19.000 -0.894 0.000 0.988 869 A HN 1.963 nan 8.150 nan 0.000 0.509 870 V N 3.956 123.659 119.914 -0.352 0.000 2.220 870 V HA 0.114 4.236 4.120 0.003 0.000 0.265 870 V C 0.389 176.364 176.094 -0.198 0.000 1.078 870 V CA -0.142 62.043 62.300 -0.193 0.000 0.872 870 V CB -1.038 30.724 31.823 -0.102 0.000 1.121 870 V HN 0.928 nan 8.190 nan 0.000 0.460 871 Y N 2.227 122.505 120.300 -0.037 0.000 2.298 871 Y HA -0.118 4.434 4.550 0.003 0.000 0.287 871 Y C 1.466 177.345 175.900 -0.036 0.000 1.164 871 Y CA 1.428 59.496 58.100 -0.053 0.000 1.229 871 Y CB 0.411 38.805 38.460 -0.109 0.000 0.977 871 Y HN 0.725 nan 8.280 nan 0.000 0.538 872 S N -0.438 115.323 115.700 0.102 0.000 2.606 872 S HA 0.499 4.971 4.470 0.003 0.000 0.290 872 S C -1.032 173.596 174.600 0.047 0.000 1.103 872 S CA -1.055 57.193 58.200 0.079 0.000 0.870 872 S CB 0.361 63.618 63.200 0.094 0.000 1.077 872 S HN 0.213 nan 8.310 nan 0.000 0.448 873 M N 2.049 121.676 119.600 0.044 0.000 2.704 873 M HA 0.970 5.452 4.480 0.003 0.000 0.284 873 M C -1.301 175.026 176.300 0.045 0.000 1.275 873 M CA -1.179 54.139 55.300 0.031 0.000 0.811 873 M CB 1.696 34.296 32.600 0.000 0.000 1.741 873 M HN 1.254 nan 8.290 nan 0.000 0.458 874 V N 0.476 120.420 119.914 0.050 0.000 2.915 874 V HA 0.190 4.312 4.120 0.003 0.000 0.282 874 V C -1.233 174.918 176.094 0.095 0.000 1.445 874 V CA -0.489 61.852 62.300 0.068 0.000 0.953 874 V CB 2.024 33.896 31.823 0.081 0.000 1.140 874 V HN 1.034 nan 8.190 nan 0.000 0.440 875 E N 5.089 125.331 120.200 0.070 0.000 2.606 875 E HA 0.001 4.352 4.350 0.003 0.000 0.248 875 E C -1.673 175.019 176.600 0.153 0.000 1.005 875 E CA 0.302 56.742 56.400 0.067 0.000 0.946 875 E CB 0.430 30.137 29.700 0.012 0.000 0.928 875 E HN 0.590 nan 8.360 nan 0.000 0.494 876 F N 6.548 126.493 119.950 -0.010 0.000 2.445 876 F HA 0.269 4.798 4.527 0.003 0.000 0.348 876 F C -0.063 175.710 175.800 -0.046 0.000 1.125 876 F CA -1.144 56.848 58.000 -0.013 0.000 0.983 876 F CB 0.400 39.404 39.000 0.007 0.000 1.198 876 F HN 0.451 nan 8.300 nan 0.000 0.436 877 N N 4.745 123.103 118.700 -0.570 0.000 2.689 877 N HA -0.228 4.514 4.740 0.003 0.000 0.263 877 N C 1.235 176.565 175.510 -0.301 0.000 0.987 877 N CA 1.493 54.226 53.050 -0.528 0.000 0.782 877 N CB -0.886 37.087 38.487 -0.856 0.000 0.903 877 N HN 1.292 nan 8.380 nan 0.000 0.547 878 G N -1.323 107.381 108.800 -0.159 0.000 2.507 878 G HA2 -0.409 3.552 3.960 0.003 0.000 0.240 878 G HA3 -0.409 3.552 3.960 0.003 0.000 0.240 878 G C 0.352 175.232 174.900 -0.034 0.000 1.119 878 G CA 1.122 46.175 45.100 -0.079 0.000 0.664 878 G HN 0.569 nan 8.290 nan 0.000 0.516 879 K N -0.171 120.198 120.400 -0.051 0.000 2.120 879 K HA 0.637 4.958 4.320 0.003 0.000 0.245 879 K C -0.224 176.444 176.600 0.114 0.000 1.024 879 K CA -0.536 55.783 56.287 0.052 0.000 0.906 879 K CB 1.094 33.618 32.500 0.039 0.000 1.051 879 K HN 0.254 nan 8.250 nan 0.000 0.491 880 L N 2.860 124.183 121.223 0.167 0.000 2.387 880 L HA 0.261 4.602 4.340 0.003 0.000 0.259 880 L C -1.387 175.602 176.870 0.199 0.000 1.050 880 L CA -0.590 54.331 54.840 0.135 0.000 0.922 880 L CB 0.650 42.731 42.059 0.036 0.000 1.280 880 L HN 0.426 nan 8.230 nan 0.000 0.449 881 L N 4.785 126.136 121.223 0.214 0.000 2.462 881 L HA 0.646 4.987 4.340 0.003 0.000 0.283 881 L C 0.337 177.271 176.870 0.107 0.000 1.166 881 L CA 0.375 55.325 54.840 0.184 0.000 0.964 881 L CB -0.199 41.908 42.059 0.081 0.000 1.294 881 L HN 0.683 nan 8.230 nan 0.000 0.449 882 A N 3.447 126.338 122.820 0.119 0.000 2.420 882 A HA 0.923 5.245 4.320 0.003 0.000 0.291 882 A C -0.251 177.380 177.584 0.078 0.000 1.228 882 A CA 0.068 52.135 52.037 0.051 0.000 0.933 882 A CB 0.914 19.890 19.000 -0.039 0.000 1.428 882 A HN 0.867 nan 8.150 nan 0.000 0.493 883 S N -1.234 114.496 115.700 0.051 0.000 2.592 883 S HA 0.532 5.004 4.470 0.003 0.000 0.275 883 S C -0.381 174.251 174.600 0.053 0.000 1.169 883 S CA -0.568 57.662 58.200 0.051 0.000 0.958 883 S CB 0.393 63.602 63.200 0.015 0.000 1.095 883 S HN 0.401 nan 8.310 nan 0.000 0.471 884 I N 2.965 123.570 120.570 0.059 0.000 3.691 884 I HA 0.307 4.479 4.170 0.003 0.000 0.226 884 I C 1.787 177.959 176.117 0.091 0.000 1.020 884 I CA 0.681 62.005 61.300 0.039 0.000 1.479 884 I CB -0.621 37.411 38.000 0.053 0.000 1.350 884 I HN 0.719 nan 8.210 nan 0.000 0.438 885 N N -0.723 118.043 118.700 0.109 0.000 2.831 885 N HA 0.078 4.819 4.740 0.003 0.000 0.233 885 N C 1.449 177.027 175.510 0.113 0.000 1.031 885 N CA 0.840 53.998 53.050 0.179 0.000 1.198 885 N CB -0.167 38.406 38.487 0.143 0.000 1.595 885 N HN 0.044 nan 8.380 nan 0.000 0.588 886 S N -0.273 115.480 115.700 0.088 0.000 2.503 886 S HA 0.158 4.629 4.470 0.003 0.000 0.217 886 S C 0.217 174.854 174.600 0.061 0.000 0.999 886 S CA 0.193 58.434 58.200 0.068 0.000 0.914 886 S CB 0.063 63.318 63.200 0.092 0.000 0.782 886 S HN 0.306 nan 8.310 nan 0.000 0.520 887 T N 1.963 116.537 114.554 0.034 0.000 2.909 887 T HA 0.490 4.842 4.350 0.003 0.000 0.289 887 T C -0.327 174.340 174.700 -0.054 0.000 1.005 887 T CA -0.368 61.674 62.100 -0.097 0.000 1.084 887 T CB 1.825 70.612 68.868 -0.134 0.000 0.975 887 T HN -0.109 nan 8.240 nan 0.000 0.509 888 V N 2.763 122.632 119.914 -0.074 0.000 2.380 888 V HA 0.365 4.487 4.120 0.003 0.000 0.268 888 V C 0.167 176.342 176.094 0.135 0.000 1.008 888 V CA -0.778 61.514 62.300 -0.013 0.000 0.823 888 V CB 0.722 32.455 31.823 -0.149 0.000 1.053 888 V HN 0.680 nan 8.190 nan 0.000 0.446 889 R N 2.728 123.320 120.500 0.154 0.000 2.459 889 R HA 0.651 4.992 4.340 0.003 0.000 0.281 889 R C -0.860 175.638 176.300 0.331 0.000 1.050 889 R CA -0.371 55.858 56.100 0.216 0.000 1.055 889 R CB 1.207 31.653 30.300 0.244 0.000 1.045 889 R HN 0.510 nan 8.270 nan 0.000 0.495 890 L N 3.781 125.130 121.223 0.210 0.000 2.346 890 L HA 0.498 4.840 4.340 0.003 0.000 0.274 890 L C -1.679 175.288 176.870 0.160 0.000 1.007 890 L CA -0.447 54.546 54.840 0.254 0.000 0.818 890 L CB 1.314 43.459 42.059 0.143 0.000 1.284 890 L HN 0.592 nan 8.230 nan 0.000 0.424 891 Y N 1.581 121.940 120.300 0.097 0.000 2.630 891 Y HA 0.663 5.215 4.550 0.003 0.000 0.337 891 Y C -0.274 175.689 175.900 0.105 0.000 1.051 891 Y CA -0.787 57.369 58.100 0.094 0.000 1.121 891 Y CB 1.857 40.380 38.460 0.104 0.000 1.299 891 Y HN 0.542 nan 8.280 nan 0.000 0.498 892 E N 0.238 120.613 120.200 0.293 0.000 2.312 892 E HA 0.175 4.527 4.350 0.003 0.000 0.267 892 E C -1.688 175.111 176.600 0.331 0.000 0.894 892 E CA -0.850 55.690 56.400 0.234 0.000 0.773 892 E CB 2.547 32.324 29.700 0.129 0.000 1.241 892 E HN 0.593 nan 8.360 nan 0.000 0.432 893 W N 4.847 126.175 121.300 0.047 0.000 2.322 893 W HA 0.145 4.806 4.660 0.003 0.000 0.321 893 W C -0.064 176.467 176.519 0.020 0.000 0.991 893 W CA -0.646 56.715 57.345 0.025 0.000 1.448 893 W CB 1.060 30.530 29.460 0.017 0.000 1.239 893 W HN 0.669 nan 8.180 nan 0.000 0.399 894 T N -0.114 114.307 114.554 -0.221 0.000 2.652 894 T HA -0.042 4.310 4.350 0.003 0.000 0.345 894 T C 1.540 176.063 174.700 -0.296 0.000 1.051 894 T CA 1.019 62.993 62.100 -0.210 0.000 1.021 894 T CB 0.660 69.413 68.868 -0.192 0.000 1.141 894 T HN 0.419 nan 8.240 nan 0.000 0.518 895 T N -3.051 111.392 114.554 -0.184 0.000 3.054 895 T HA 0.084 4.436 4.350 0.003 0.000 0.259 895 T C 1.599 176.189 174.700 -0.184 0.000 1.092 895 T CA 0.761 62.773 62.100 -0.146 0.000 1.121 895 T CB -0.309 68.514 68.868 -0.075 0.000 0.912 895 T HN 0.664 nan 8.240 nan 0.000 0.489 896 E N 1.713 121.784 120.200 -0.214 0.000 2.482 896 E HA 0.035 4.387 4.350 0.003 0.000 0.196 896 E C -0.194 176.225 176.600 -0.301 0.000 1.047 896 E CA 0.170 56.450 56.400 -0.199 0.000 0.869 896 E CB -0.352 29.254 29.700 -0.157 0.000 0.836 896 E HN 0.193 nan 8.360 nan 0.000 0.520 897 K N 1.709 121.790 120.400 -0.532 0.000 3.851 897 K HA -0.126 4.196 4.320 0.003 0.000 0.284 897 K C -1.308 174.760 176.600 -0.886 0.000 1.048 897 K CA 0.894 56.644 56.287 -0.895 0.000 0.862 897 K CB -2.095 30.156 32.500 -0.414 0.000 1.439 897 K HN 0.277 nan 8.250 nan 0.000 0.446 898 D N -0.816 119.019 120.400 -0.943 0.000 2.609 898 D HA 0.423 5.064 4.640 0.003 0.000 0.239 898 D C -0.463 175.719 176.300 -0.197 0.000 1.229 898 D CA -0.494 53.246 54.000 -0.434 0.000 0.808 898 D CB 2.096 42.771 40.800 -0.208 0.000 1.448 898 D HN -0.025 nan 8.370 nan 0.000 0.433 899 V N -0.583 119.417 119.914 0.144 0.000 2.398 899 V HA 0.783 4.905 4.120 0.003 0.000 0.286 899 V C -0.198 176.084 176.094 0.314 0.000 1.026 899 V CA -0.841 61.673 62.300 0.357 0.000 0.868 899 V CB 1.285 33.351 31.823 0.406 0.000 0.982 899 V HN 0.584 nan 8.190 nan 0.000 0.443 900 R N 1.860 122.511 120.500 0.252 0.000 2.513 900 R HA 0.573 4.915 4.340 0.003 0.000 0.301 900 R C -0.305 175.922 176.300 -0.121 0.000 0.968 900 R CA -0.393 55.757 56.100 0.083 0.000 0.872 900 R CB 1.265 31.578 30.300 0.021 0.000 1.177 900 R HN 0.630 nan 8.270 nan 0.000 0.444 901 T N 2.471 116.820 114.554 -0.343 0.000 2.870 901 T HA -0.136 4.216 4.350 0.003 0.000 0.311 901 T C 0.807 175.319 174.700 -0.314 0.000 1.052 901 T CA 1.230 62.974 62.100 -0.595 0.000 1.131 901 T CB 0.261 68.935 68.868 -0.323 0.000 1.082 901 T HN 0.921 nan 8.240 nan 0.000 0.511 902 E N -1.093 118.930 120.200 -0.296 0.000 2.671 902 E HA 0.304 4.656 4.350 0.003 0.000 0.204 902 E C -0.291 176.218 176.600 -0.151 0.000 0.940 902 E CA -0.525 55.786 56.400 -0.148 0.000 1.328 902 E CB 0.270 29.927 29.700 -0.071 0.000 1.214 902 E HN 0.629 nan 8.360 nan 0.000 0.624 903 C N 0.263 119.435 119.300 -0.213 0.000 3.086 903 C HA 0.609 5.071 4.460 0.003 0.000 0.396 903 C C -2.071 172.758 174.990 -0.267 0.000 1.056 903 C CA -0.561 58.269 59.018 -0.313 0.000 1.078 903 C CB 0.108 27.509 27.740 -0.564 0.000 1.467 903 C HN 0.479 nan 8.230 nan 0.000 0.580 904 N N 2.029 120.653 118.700 -0.127 0.000 2.525 904 N HA 0.677 5.418 4.740 0.003 0.000 0.270 904 N C -1.710 173.962 175.510 0.270 0.000 1.321 904 N CA -0.590 52.480 53.050 0.033 0.000 0.797 904 N CB 1.304 39.707 38.487 -0.140 0.000 1.529 904 N HN 0.805 nan 8.380 nan 0.000 0.491 905 H N 1.068 120.114 119.070 -0.039 0.000 3.096 905 H HA 0.239 4.797 4.556 0.003 0.000 0.335 905 H C -1.021 174.164 175.328 -0.238 0.000 0.990 905 H CA -0.270 55.778 56.048 0.001 0.000 1.393 905 H CB 0.414 30.172 29.762 -0.007 0.000 1.742 905 H HN 0.726 nan 8.280 nan 0.000 0.501 906 Y N 2.656 122.857 120.300 -0.164 0.000 2.467 906 Y HA 0.141 4.693 4.550 0.002 0.000 0.250 906 Y C 1.692 177.526 175.900 -0.110 0.000 1.155 906 Y CA -0.115 57.950 58.100 -0.060 0.000 1.249 906 Y CB 0.363 38.795 38.460 -0.047 0.000 1.146 906 Y HN 0.543 nan 8.280 nan 0.000 0.524 907 N N 2.362 120.919 118.700 -0.238 0.000 3.115 907 N HA -0.000 4.742 4.740 0.003 0.000 0.305 907 N C -1.115 174.467 175.510 0.120 0.000 1.305 907 N CA 0.031 53.031 53.050 -0.084 0.000 1.154 907 N CB -0.385 37.973 38.487 -0.215 0.000 1.454 907 N HN 0.283 nan 8.380 nan 0.000 0.551 908 N N 1.326 120.080 118.700 0.091 0.000 2.324 908 N HA 0.154 4.896 4.740 0.003 0.000 0.285 908 N C 0.753 176.254 175.510 -0.015 0.000 1.076 908 N CA -0.606 52.461 53.050 0.029 0.000 0.864 908 N CB 1.500 39.996 38.487 0.014 0.000 1.632 908 N HN -0.014 nan 8.380 nan 0.000 0.478 909 I N 0.157 120.687 120.570 -0.067 0.000 2.493 909 I HA 0.051 4.222 4.170 0.003 0.000 0.254 909 I C 0.748 176.812 176.117 -0.087 0.000 1.160 909 I CA 1.426 62.677 61.300 -0.081 0.000 1.445 909 I CB -0.426 37.496 38.000 -0.130 0.000 1.086 909 I HN 0.654 nan 8.210 nan 0.000 0.433 910 M N -0.072 119.459 119.600 -0.116 0.000 2.541 910 M HA 0.334 4.815 4.480 0.003 0.000 0.173 910 M C -1.639 174.536 176.300 -0.207 0.000 0.907 910 M CA -0.134 55.078 55.300 -0.147 0.000 0.745 910 M CB 0.999 33.472 32.600 -0.213 0.000 2.672 910 M HN -0.050 nan 8.290 nan 0.000 0.385 911 A N 5.323 128.052 122.820 -0.152 0.000 2.415 911 A HA 0.565 4.887 4.320 0.003 0.000 0.309 911 A C 0.206 177.620 177.584 -0.282 0.000 1.356 911 A CA -0.428 51.495 52.037 -0.190 0.000 0.998 911 A CB -0.127 18.801 19.000 -0.120 0.000 1.145 911 A HN 0.993 nan 8.150 nan 0.000 0.545 912 L N 1.521 122.414 121.223 -0.549 0.000 2.515 912 L HA 0.196 4.538 4.340 0.003 0.000 0.223 912 L C -0.514 175.832 176.870 -0.874 0.000 1.079 912 L CA 0.511 54.815 54.840 -0.894 0.000 0.857 912 L CB -0.030 41.133 42.059 -1.492 0.000 1.050 912 L HN 0.747 nan 8.230 nan 0.000 0.476 913 Y N -0.168 120.095 120.300 -0.061 0.000 2.373 913 Y HA 0.560 5.111 4.550 0.003 0.000 0.336 913 Y C -0.535 175.330 175.900 -0.059 0.000 0.979 913 Y CA -1.092 56.981 58.100 -0.044 0.000 1.080 913 Y CB 1.764 40.191 38.460 -0.054 0.000 1.190 913 Y HN -0.240 nan 8.280 nan 0.000 0.446 914 L N 3.798 125.081 121.223 0.100 0.000 2.303 914 L HA 0.700 5.042 4.340 0.003 0.000 0.266 914 L C -0.781 176.111 176.870 0.037 0.000 1.011 914 L CA -1.328 53.520 54.840 0.015 0.000 0.818 914 L CB 1.767 43.820 42.059 -0.009 0.000 1.326 914 L HN 0.517 nan 8.230 nan 0.000 0.435 915 K N 0.284 120.682 120.400 -0.003 0.000 2.569 915 K HA 0.376 4.698 4.320 0.003 0.000 0.259 915 K C -0.678 175.944 176.600 0.038 0.000 0.932 915 K CA -0.331 55.982 56.287 0.043 0.000 0.833 915 K CB 1.958 34.494 32.500 0.060 0.000 1.340 915 K HN 0.546 nan 8.250 nan 0.000 0.429 916 T N 0.264 114.886 114.554 0.113 0.000 3.085 916 T HA 0.039 4.391 4.350 0.003 0.000 0.264 916 T C 0.227 175.101 174.700 0.290 0.000 1.019 916 T CA -0.295 61.919 62.100 0.189 0.000 0.910 916 T CB 0.095 69.141 68.868 0.296 0.000 1.059 916 T HN 0.260 nan 8.240 nan 0.000 0.542 917 K N 2.974 123.513 120.400 0.232 0.000 2.327 917 K HA 0.097 4.418 4.320 0.003 0.000 0.254 917 K C 1.322 178.062 176.600 0.235 0.000 1.251 917 K CA 1.041 57.462 56.287 0.222 0.000 1.261 917 K CB -1.202 31.448 32.500 0.251 0.000 0.766 917 K HN 0.394 nan 8.250 nan 0.000 0.510 918 G N 4.357 113.237 108.800 0.133 0.000 2.561 918 G HA2 -0.324 3.638 3.960 0.003 0.000 0.289 918 G HA3 -0.324 3.638 3.960 0.003 0.000 0.289 918 G C -0.091 174.914 174.900 0.175 0.000 1.169 918 G CA 0.275 45.397 45.100 0.037 0.000 0.980 918 G HN 0.669 nan 8.290 nan 0.000 0.550 919 D N 1.027 121.492 120.400 0.109 0.000 2.525 919 D HA 0.348 4.990 4.640 0.003 0.000 0.229 919 D C -0.056 176.502 176.300 0.430 0.000 1.202 919 D CA 0.235 54.494 54.000 0.431 0.000 0.828 919 D CB -0.091 40.886 40.800 0.294 0.000 1.008 919 D HN 0.242 nan 8.370 nan 0.000 0.493 920 F N 0.724 120.839 119.950 0.274 0.000 2.458 920 F HA 0.417 4.946 4.527 0.002 0.000 0.336 920 F C 0.044 175.814 175.800 -0.050 0.000 1.114 920 F CA -1.194 56.858 58.000 0.086 0.000 0.987 920 F CB 1.484 40.541 39.000 0.097 0.000 1.130 920 F HN -0.331 nan 8.300 nan 0.000 0.458 921 I N 4.604 125.155 120.570 -0.031 0.000 2.406 921 I HA 0.256 4.428 4.170 0.003 0.000 0.290 921 I C -0.899 175.033 176.117 -0.308 0.000 0.999 921 I CA -0.577 60.578 61.300 -0.241 0.000 1.124 921 I CB 1.717 39.450 38.000 -0.445 0.000 1.289 921 I HN 0.314 nan 8.210 nan 0.000 0.441 922 L N 8.373 129.430 121.223 -0.277 0.000 2.265 922 L HA 0.656 4.998 4.340 0.003 0.000 0.289 922 L C -0.833 175.890 176.870 -0.246 0.000 1.033 922 L CA -0.177 54.447 54.840 -0.360 0.000 0.814 922 L CB 1.110 42.959 42.059 -0.350 0.000 1.203 922 L HN 0.350 nan 8.230 nan 0.000 0.423 923 V N 4.485 124.236 119.914 -0.271 0.000 2.513 923 V HA 0.801 4.923 4.120 0.003 0.000 0.299 923 V C 0.545 176.564 176.094 -0.125 0.000 1.035 923 V CA -0.341 61.836 62.300 -0.206 0.000 0.889 923 V CB 1.567 33.209 31.823 -0.301 0.000 0.988 923 V HN 0.901 nan 8.190 nan 0.000 0.440 924 G N 2.184 110.968 108.800 -0.027 0.000 2.470 924 G HA2 0.509 4.471 3.960 0.003 0.000 0.320 924 G HA3 0.509 4.471 3.960 0.003 0.000 0.320 924 G C -1.175 173.714 174.900 -0.018 0.000 1.245 924 G CA -0.283 44.860 45.100 0.072 0.000 0.935 924 G HN 0.601 nan 8.290 nan 0.000 0.476 925 D N 1.675 122.044 120.400 -0.051 0.000 2.268 925 D HA 0.140 4.782 4.640 0.003 0.000 0.249 925 D C 1.448 177.659 176.300 -0.149 0.000 1.008 925 D CA -0.710 53.201 54.000 -0.148 0.000 0.939 925 D CB 2.429 43.130 40.800 -0.165 0.000 1.170 925 D HN 0.159 nan 8.370 nan 0.000 0.468 926 L N 2.933 124.007 121.223 -0.248 0.000 2.081 926 L HA -0.174 4.168 4.340 0.003 0.000 0.212 926 L C 1.818 178.439 176.870 -0.416 0.000 1.080 926 L CA 2.116 56.803 54.840 -0.255 0.000 0.754 926 L CB -0.159 41.718 42.059 -0.303 0.000 0.893 926 L HN 0.667 nan 8.230 nan 0.000 0.433 927 M N -4.411 114.844 119.600 -0.574 0.000 2.112 927 M HA 0.262 4.744 4.480 0.003 0.000 0.397 927 M C 1.360 177.378 176.300 -0.470 0.000 0.854 927 M CA 0.026 54.783 55.300 -0.905 0.000 1.097 927 M CB 0.132 31.810 32.600 -1.536 0.000 2.136 927 M HN -0.063 nan 8.290 nan 0.000 0.720 928 R N 1.751 122.068 120.500 -0.305 0.000 2.391 928 R HA 0.321 4.662 4.340 0.003 0.000 0.249 928 R C 0.343 176.548 176.300 -0.158 0.000 0.957 928 R CA 0.711 56.684 56.100 -0.211 0.000 1.093 928 R CB 0.245 30.433 30.300 -0.185 0.000 1.156 928 R HN 0.574 nan 8.270 nan 0.000 0.526 929 S N -1.323 114.313 115.700 -0.106 0.000 3.245 929 S HA -0.227 4.245 4.470 0.003 0.000 0.631 929 S C 0.040 174.638 174.600 -0.004 0.000 2.821 929 S CA 0.657 58.852 58.200 -0.008 0.000 3.266 929 S CB -1.146 62.027 63.200 -0.046 0.000 0.314 929 S HN 0.425 nan 8.310 nan 0.000 1.621 930 V N 0.684 120.621 119.914 0.040 0.000 2.973 930 V HA 0.906 5.028 4.120 0.003 0.000 0.314 930 V C 0.175 176.189 176.094 -0.133 0.000 1.066 930 V CA -0.339 61.950 62.300 -0.020 0.000 1.021 930 V CB 1.501 33.359 31.823 0.059 0.000 1.076 930 V HN 1.026 nan 8.190 nan 0.000 0.462 931 L N 2.815 123.913 121.223 -0.207 0.000 2.482 931 L HA 0.562 4.904 4.340 0.003 0.000 0.263 931 L C -1.714 174.943 176.870 -0.356 0.000 0.957 931 L CA -0.845 53.836 54.840 -0.265 0.000 0.836 931 L CB 2.132 44.030 42.059 -0.268 0.000 1.324 931 L HN 0.827 nan 8.230 nan 0.000 0.406 932 L N 5.178 126.189 121.223 -0.353 0.000 2.272 932 L HA 0.472 4.814 4.340 0.003 0.000 0.284 932 L C -0.674 175.999 176.870 -0.328 0.000 1.045 932 L CA 0.089 54.660 54.840 -0.449 0.000 0.842 932 L CB 0.782 42.557 42.059 -0.474 0.000 1.224 932 L HN 0.526 nan 8.230 nan 0.000 0.430 933 L N 3.820 124.834 121.223 -0.348 0.000 2.567 933 L HA 0.893 5.235 4.340 0.003 0.000 0.238 933 L C 0.140 176.945 176.870 -0.109 0.000 1.168 933 L CA -0.661 54.006 54.840 -0.289 0.000 0.817 933 L CB 1.212 42.947 42.059 -0.541 0.000 1.409 933 L HN 0.722 nan 8.230 nan 0.000 0.502 934 A N -0.155 122.675 122.820 0.018 0.000 2.594 934 A HA 0.430 4.752 4.320 0.003 0.000 0.296 934 A C -2.038 175.789 177.584 0.405 0.000 1.061 934 A CA -0.431 51.770 52.037 0.274 0.000 0.689 934 A CB 0.991 20.199 19.000 0.347 0.000 1.280 934 A HN 0.485 nan 8.150 nan 0.000 0.406 935 Y N 2.376 122.888 120.300 0.353 0.000 2.367 935 Y HA 0.522 5.075 4.550 0.004 0.000 0.342 935 Y C -0.161 175.893 175.900 0.257 0.000 0.979 935 Y CA -0.530 57.810 58.100 0.400 0.000 1.161 935 Y CB 1.045 39.822 38.460 0.528 0.000 1.155 935 Y HN 0.449 nan 8.280 nan 0.000 0.503 936 K N 9.257 129.469 120.400 -0.314 0.000 2.263 936 K HA 0.212 4.533 4.320 0.003 0.000 0.282 936 K C -2.123 174.104 176.600 -0.622 0.000 1.089 936 K CA -1.875 54.242 56.287 -0.282 0.000 0.907 936 K CB 1.320 33.740 32.500 -0.132 0.000 1.148 936 K HN 0.523 nan 8.250 nan 0.000 0.470 937 P HA -0.179 nan 4.420 nan 0.000 0.208 937 P C 1.296 178.498 177.300 -0.164 0.000 1.180 937 P CA 1.582 64.559 63.100 -0.204 0.000 0.935 937 P CB 0.152 31.872 31.700 0.033 0.000 0.785 938 M N -1.085 118.462 119.600 -0.088 0.000 2.082 938 M HA -0.206 4.276 4.480 0.003 0.000 0.258 938 M C 2.128 178.380 176.300 -0.081 0.000 1.071 938 M CA 1.807 57.074 55.300 -0.056 0.000 1.103 938 M CB -1.088 31.493 32.600 -0.031 0.000 1.307 938 M HN -0.094 nan 8.290 nan 0.000 0.409 939 E N -0.047 120.090 120.200 -0.105 0.000 2.219 939 E HA -0.161 4.191 4.350 0.003 0.000 0.198 939 E C 1.371 177.897 176.600 -0.123 0.000 0.998 939 E CA 1.299 57.641 56.400 -0.097 0.000 0.818 939 E CB -0.495 29.152 29.700 -0.087 0.000 0.741 939 E HN 0.723 nan 8.360 nan 0.000 0.477 940 G N 2.364 111.042 108.800 -0.203 0.000 2.198 940 G HA2 -0.302 3.660 3.960 0.003 0.000 0.260 940 G HA3 -0.302 3.660 3.960 0.003 0.000 0.260 940 G C 0.157 174.949 174.900 -0.180 0.000 1.025 940 G CA 0.830 45.832 45.100 -0.164 0.000 0.769 940 G HN 0.458 nan 8.290 nan 0.000 0.507 941 N N -1.366 117.174 118.700 -0.266 0.000 3.308 941 N HA 0.495 5.236 4.740 0.003 0.000 0.276 941 N C -0.568 174.883 175.510 -0.099 0.000 1.533 941 N CA -1.220 51.691 53.050 -0.231 0.000 0.878 941 N CB 0.519 38.930 38.487 -0.127 0.000 1.566 941 N HN 0.010 nan 8.380 nan 0.000 0.546 942 F N -0.092 119.890 119.950 0.053 0.000 2.410 942 F HA 0.309 4.837 4.527 0.002 0.000 0.334 942 F C 1.021 176.862 175.800 0.068 0.000 1.134 942 F CA -0.245 57.802 58.000 0.078 0.000 1.227 942 F CB 0.905 39.975 39.000 0.117 0.000 1.194 942 F HN 0.435 nan 8.300 nan 0.000 0.571 943 E N 2.641 123.022 120.200 0.301 0.000 2.313 943 E HA 0.135 4.486 4.350 0.003 0.000 0.280 943 E C -1.391 175.279 176.600 0.117 0.000 0.898 943 E CA -0.616 55.890 56.400 0.175 0.000 0.803 943 E CB 1.211 30.992 29.700 0.135 0.000 1.286 943 E HN 0.631 nan 8.360 nan 0.000 0.401 944 E N 4.511 124.771 120.200 0.100 0.000 2.392 944 E HA 0.049 4.401 4.350 0.003 0.000 0.264 944 E C 0.803 177.416 176.600 0.022 0.000 1.024 944 E CA -0.044 56.375 56.400 0.032 0.000 0.903 944 E CB 1.097 30.828 29.700 0.052 0.000 0.963 944 E HN 0.490 nan 8.360 nan 0.000 0.432 945 I N 0.586 121.139 120.570 -0.029 0.000 3.136 945 I HA 0.180 4.352 4.170 0.003 0.000 0.262 945 I C 0.922 177.037 176.117 -0.004 0.000 1.132 945 I CA 0.636 61.931 61.300 -0.010 0.000 1.450 945 I CB -0.765 37.196 38.000 -0.065 0.000 1.315 945 I HN 0.511 nan 8.210 nan 0.000 0.460 946 A N 1.155 123.945 122.820 -0.050 0.000 2.701 946 A HA 0.884 5.206 4.320 0.003 0.000 0.290 946 A C -1.001 176.520 177.584 -0.105 0.000 1.267 946 A CA -0.399 51.627 52.037 -0.018 0.000 0.709 946 A CB 1.886 20.907 19.000 0.034 0.000 1.352 946 A HN 0.356 nan 8.150 nan 0.000 0.519 947 R N -0.300 120.130 120.500 -0.117 0.000 4.106 947 R HA 0.319 4.661 4.340 0.003 0.000 0.252 947 R C -2.060 174.062 176.300 -0.296 0.000 0.977 947 R CA -0.460 55.486 56.100 -0.256 0.000 1.118 947 R CB -0.226 29.822 30.300 -0.421 0.000 1.237 947 R HN 0.648 nan 8.270 nan 0.000 0.587 948 D N 1.410 121.695 120.400 -0.191 0.000 2.414 948 D HA 0.130 4.771 4.640 0.003 0.000 0.242 948 D C -0.347 175.774 176.300 -0.299 0.000 1.129 948 D CA 0.077 54.013 54.000 -0.108 0.000 0.885 948 D CB 0.481 41.251 40.800 -0.049 0.000 1.198 948 D HN 0.474 nan 8.370 nan 0.000 0.437 949 F N 1.242 121.127 119.950 -0.107 0.000 2.653 949 F HA 0.237 4.765 4.527 0.003 0.000 0.304 949 F C 0.783 176.544 175.800 -0.065 0.000 1.092 949 F CA -0.482 57.460 58.000 -0.097 0.000 1.279 949 F CB 0.176 39.127 39.000 -0.080 0.000 1.044 949 F HN 0.200 nan 8.300 nan 0.000 0.564 950 N N 1.662 120.371 118.700 0.016 0.000 2.479 950 N HA 0.216 4.958 4.740 0.003 0.000 0.285 950 N C -2.649 172.829 175.510 -0.054 0.000 1.075 950 N CA -1.295 51.742 53.050 -0.022 0.000 0.967 950 N CB 1.112 39.538 38.487 -0.100 0.000 1.137 950 N HN -0.214 nan 8.380 nan 0.000 0.472 951 P HA 0.155 nan 4.420 nan 0.000 0.270 951 P C -0.853 176.458 177.300 0.018 0.000 1.242 951 P CA 0.220 63.307 63.100 -0.020 0.000 0.768 951 P CB 0.339 32.056 31.700 0.027 0.000 0.820 952 N N 2.493 121.179 118.700 -0.023 0.000 2.410 952 N HA 0.162 4.904 4.740 0.003 0.000 0.287 952 N C -1.089 174.473 175.510 0.086 0.000 1.044 952 N CA -0.508 52.591 53.050 0.083 0.000 0.881 952 N CB 0.981 39.486 38.487 0.030 0.000 1.405 952 N HN 0.257 nan 8.380 nan 0.000 0.490 953 W N 3.590 124.912 121.300 0.036 0.000 1.371 953 W HA 0.232 4.894 4.660 0.004 0.000 0.482 953 W C 0.379 176.928 176.519 0.050 0.000 0.640 953 W CA -0.533 56.830 57.345 0.031 0.000 2.164 953 W CB -0.327 29.134 29.460 0.001 0.000 1.613 953 W HN 0.246 nan 8.180 nan 0.000 0.212 954 M N 0.972 120.698 119.600 0.211 0.000 2.216 954 M HA -0.162 4.320 4.480 0.003 0.000 0.328 954 M C 1.504 177.886 176.300 0.136 0.000 1.062 954 M CA 0.850 56.250 55.300 0.168 0.000 1.012 954 M CB 0.127 32.865 32.600 0.230 0.000 1.622 954 M HN 0.323 nan 8.290 nan 0.000 0.448 955 S N -0.127 115.432 115.700 -0.235 0.000 2.663 955 S HA 0.589 5.060 4.470 0.003 0.000 0.247 955 S C 0.077 174.105 174.600 -0.952 0.000 1.074 955 S CA 0.453 58.385 58.200 -0.446 0.000 0.955 955 S CB 0.448 63.190 63.200 -0.764 0.000 0.901 955 S HN 0.951 nan 8.310 nan 0.000 0.505 956 A N -0.092 122.118 122.820 -1.016 0.000 2.540 956 A HA 0.740 5.062 4.320 0.003 0.000 0.291 956 A C -1.439 175.797 177.584 -0.581 0.000 1.083 956 A CA -0.108 51.313 52.037 -1.026 0.000 0.650 956 A CB 0.971 19.381 19.000 -0.984 0.000 1.292 956 A HN 1.085 nan 8.150 nan 0.000 0.435 957 V N -0.490 119.287 119.914 -0.228 0.000 3.236 957 V HA 0.800 4.922 4.120 0.003 0.000 0.287 957 V C -2.057 174.168 176.094 0.218 0.000 1.491 957 V CA 0.075 62.412 62.300 0.062 0.000 1.037 957 V CB 2.122 33.932 31.823 -0.020 0.000 1.160 957 V HN 1.820 nan 8.190 nan 0.000 0.453 958 E N 2.891 123.171 120.200 0.133 0.000 2.407 958 E HA 0.584 4.935 4.350 0.003 0.000 0.279 958 E C -1.882 174.762 176.600 0.073 0.000 1.012 958 E CA -0.462 55.975 56.400 0.063 0.000 0.800 958 E CB 1.916 31.549 29.700 -0.111 0.000 1.276 958 E HN 0.731 nan 8.360 nan 0.000 0.452 959 I N 5.335 126.000 120.570 0.158 0.000 2.328 959 I HA 0.214 4.386 4.170 0.003 0.000 0.287 959 I C 0.961 177.241 176.117 0.271 0.000 1.012 959 I CA -0.396 61.071 61.300 0.279 0.000 1.195 959 I CB 0.752 38.933 38.000 0.301 0.000 1.350 959 I HN 0.546 nan 8.210 nan 0.000 0.464 960 L N 4.261 125.569 121.223 0.141 0.000 2.007 960 L HA -0.003 4.339 4.340 0.003 0.000 0.205 960 L C 0.370 177.317 176.870 0.128 0.000 1.073 960 L CA 1.074 55.979 54.840 0.108 0.000 0.744 960 L CB -0.481 41.552 42.059 -0.044 0.000 0.898 960 L HN 0.663 nan 8.230 nan 0.000 0.435 961 D N -3.263 117.163 120.400 0.043 0.000 2.636 961 D HA 0.111 4.753 4.640 0.003 0.000 0.275 961 D C 0.202 176.537 176.300 0.059 0.000 1.130 961 D CA -0.685 53.336 54.000 0.035 0.000 1.031 961 D CB 0.371 41.160 40.800 -0.018 0.000 1.451 961 D HN -0.232 nan 8.370 nan 0.000 0.505 962 D N -0.513 119.944 120.400 0.095 0.000 2.149 962 D HA -0.147 4.495 4.640 0.003 0.000 0.194 962 D C 0.398 176.749 176.300 0.085 0.000 1.001 962 D CA 1.565 55.684 54.000 0.198 0.000 0.849 962 D CB -0.022 40.896 40.800 0.197 0.000 0.939 962 D HN 0.430 nan 8.370 nan 0.000 0.449 963 D N -0.546 119.786 120.400 -0.114 0.000 2.379 963 D HA 0.099 4.741 4.640 0.003 0.000 0.208 963 D C -0.006 175.863 176.300 -0.719 0.000 1.065 963 D CA 0.057 53.869 54.000 -0.313 0.000 0.848 963 D CB 0.177 40.879 40.800 -0.163 0.000 0.949 963 D HN 0.225 nan 8.370 nan 0.000 0.509 964 N N 0.299 118.557 118.700 -0.736 0.000 2.314 964 N HA 0.397 5.139 4.740 0.003 0.000 0.294 964 N C -1.144 173.907 175.510 -0.765 0.000 1.029 964 N CA -0.547 52.052 53.050 -0.753 0.000 0.845 964 N CB 1.781 40.049 38.487 -0.365 0.000 1.321 964 N HN -0.163 nan 8.380 nan 0.000 0.481 965 F N 1.597 121.518 119.950 -0.049 0.000 2.493 965 F HA 0.414 4.943 4.527 0.002 0.000 0.329 965 F C 0.032 175.772 175.800 -0.100 0.000 1.126 965 F CA -0.957 57.007 58.000 -0.061 0.000 0.937 965 F CB 1.702 40.676 39.000 -0.043 0.000 1.146 965 F HN 0.144 nan 8.300 nan 0.000 0.442 966 L N 3.124 124.348 121.223 0.001 0.000 2.275 966 L HA 0.779 5.121 4.340 0.003 0.000 0.288 966 L C 0.051 176.803 176.870 -0.197 0.000 1.046 966 L CA -0.111 54.635 54.840 -0.156 0.000 0.805 966 L CB 1.163 43.040 42.059 -0.304 0.000 1.193 966 L HN 0.859 nan 8.230 nan 0.000 0.426 967 G N 2.838 111.332 108.800 -0.509 0.000 2.605 967 G HA2 0.793 4.755 3.960 0.003 0.000 0.296 967 G HA3 0.793 4.755 3.960 0.003 0.000 0.296 967 G C -1.821 172.740 174.900 -0.564 0.000 1.304 967 G CA -0.425 44.302 45.100 -0.622 0.000 0.941 967 G HN 0.793 nan 8.290 nan 0.000 0.475 968 A N 0.715 123.320 122.820 -0.358 0.000 2.437 968 A HA 0.740 5.061 4.320 0.003 0.000 0.293 968 A C -0.420 177.000 177.584 -0.273 0.000 1.038 968 A CA -0.589 51.262 52.037 -0.309 0.000 0.708 968 A CB 1.877 20.594 19.000 -0.470 0.000 1.251 968 A HN 0.863 nan 8.150 nan 0.000 0.409 969 E N 2.052 122.176 120.200 -0.126 0.000 2.316 969 E HA 0.220 4.572 4.350 0.003 0.000 0.258 969 E C 0.116 176.558 176.600 -0.263 0.000 0.952 969 E CA -0.528 55.809 56.400 -0.104 0.000 0.818 969 E CB 0.533 30.321 29.700 0.146 0.000 1.260 969 E HN 0.569 nan 8.360 nan 0.000 0.416 970 N N 0.472 119.079 118.700 -0.155 0.000 2.588 970 N HA -0.162 4.580 4.740 0.003 0.000 0.190 970 N C 1.196 176.409 175.510 -0.496 0.000 1.094 970 N CA 1.232 54.188 53.050 -0.158 0.000 0.921 970 N CB -0.441 38.049 38.487 0.005 0.000 0.959 970 N HN 0.471 nan 8.380 nan 0.000 0.448 971 A N -0.212 122.392 122.820 -0.360 0.000 2.119 971 A HA 0.134 4.456 4.320 0.003 0.000 0.217 971 A C 0.489 177.911 177.584 -0.269 0.000 1.153 971 A CA 0.345 52.158 52.037 -0.373 0.000 0.692 971 A CB -0.812 18.004 19.000 -0.306 0.000 0.799 971 A HN 0.385 nan 8.150 nan 0.000 0.458 972 F N -2.148 117.689 119.950 -0.189 0.000 2.599 972 F HA -0.173 4.356 4.527 0.003 0.000 0.287 972 F C 0.090 175.626 175.800 -0.439 0.000 0.685 972 F CA 0.042 57.874 58.000 -0.280 0.000 1.610 972 F CB -1.736 37.121 39.000 -0.238 0.000 1.930 972 F HN 0.301 nan 8.300 nan 0.000 0.333 973 N N 0.906 119.489 118.700 -0.195 0.000 2.453 973 N HA 0.845 5.587 4.740 0.003 0.000 0.290 973 N C -0.654 174.821 175.510 -0.058 0.000 1.250 973 N CA -0.573 52.359 53.050 -0.197 0.000 0.815 973 N CB 2.351 40.592 38.487 -0.410 0.000 1.381 973 N HN 0.010 nan 8.380 nan 0.000 0.510 974 L N 0.529 121.754 121.223 0.003 0.000 2.323 974 L HA 0.676 5.018 4.340 0.003 0.000 0.265 974 L C -0.990 175.986 176.870 0.175 0.000 1.012 974 L CA -0.969 53.842 54.840 -0.049 0.000 0.820 974 L CB 1.418 43.305 42.059 -0.288 0.000 1.334 974 L HN 0.607 nan 8.230 nan 0.000 0.427 975 F N -0.325 119.697 119.950 0.120 0.000 2.713 975 F HA 0.802 5.330 4.527 0.003 0.000 0.311 975 F C -1.727 174.204 175.800 0.218 0.000 1.141 975 F CA -1.071 57.041 58.000 0.187 0.000 0.939 975 F CB 1.323 40.402 39.000 0.131 0.000 1.325 975 F HN 0.009 nan 8.300 nan 0.000 0.453 976 V N 1.639 121.813 119.914 0.433 0.000 2.525 976 V HA 0.482 4.604 4.120 0.003 0.000 0.299 976 V C -0.688 175.538 176.094 0.220 0.000 1.034 976 V CA -0.711 61.714 62.300 0.208 0.000 0.863 976 V CB 1.395 33.258 31.823 0.066 0.000 0.999 976 V HN 1.141 nan 8.190 nan 0.000 0.423 977 C N 3.858 123.286 119.300 0.215 0.000 2.365 977 C HA 0.789 5.251 4.460 0.003 0.000 0.349 977 C C 0.039 175.012 174.990 -0.030 0.000 1.191 977 C CA -0.424 58.699 59.018 0.174 0.000 2.114 977 C CB 1.246 29.174 27.740 0.314 0.000 2.367 977 C HN 0.953 nan 8.230 nan 0.000 0.530 978 Q N 1.184 120.954 119.800 -0.050 0.000 2.315 978 Q HA 0.337 4.679 4.340 0.003 0.000 0.273 978 Q C -1.288 174.669 176.000 -0.071 0.000 1.053 978 Q CA -0.531 55.163 55.803 -0.182 0.000 0.817 978 Q CB 1.108 29.739 28.738 -0.177 0.000 1.326 978 Q HN 0.656 nan 8.270 nan 0.000 0.423 979 K N 2.626 122.971 120.400 -0.091 0.000 2.436 979 K HA 0.004 4.326 4.320 0.003 0.000 0.282 979 K C -0.235 176.367 176.600 0.004 0.000 1.044 979 K CA -0.094 56.200 56.287 0.010 0.000 1.028 979 K CB 0.330 32.839 32.500 0.015 0.000 0.919 979 K HN 0.538 nan 8.250 nan 0.000 0.474 980 D N 1.356 121.779 120.400 0.039 0.000 2.506 980 D HA -0.094 4.547 4.640 0.003 0.000 0.234 980 D C 0.354 176.665 176.300 0.017 0.000 1.143 980 D CA 0.667 54.684 54.000 0.028 0.000 0.871 980 D CB 1.064 41.894 40.800 0.049 0.000 1.190 980 D HN 0.409 nan 8.370 nan 0.000 0.459 981 S N 1.595 117.298 115.700 0.005 0.000 2.540 981 S HA 0.189 4.661 4.470 0.003 0.000 0.218 981 S C 0.669 175.275 174.600 0.011 0.000 0.977 981 S CA 0.078 58.282 58.200 0.007 0.000 0.918 981 S CB 0.122 63.320 63.200 -0.003 0.000 0.806 981 S HN 0.542 nan 8.310 nan 0.000 0.496 982 A N 1.381 124.207 122.820 0.010 0.000 3.077 982 A HA 0.617 4.939 4.320 0.003 0.000 0.255 982 A C 1.159 178.751 177.584 0.014 0.000 1.728 982 A CA 0.220 52.261 52.037 0.008 0.000 1.383 982 A CB -0.869 18.131 19.000 -0.000 0.000 1.097 982 A HN 0.481 nan 8.150 nan 0.000 0.634 983 A N 0.720 123.552 122.820 0.019 0.000 2.121 983 A HA 0.086 4.408 4.320 0.003 0.000 0.204 983 A C 2.015 179.612 177.584 0.021 0.000 1.365 983 A CA 1.348 53.401 52.037 0.025 0.000 1.070 983 A CB -1.128 17.890 19.000 0.029 0.000 0.756 983 A HN 0.884 nan 8.150 nan 0.000 0.521 984 T N -3.079 111.483 114.554 0.014 0.000 2.701 984 T HA -0.020 4.332 4.350 0.003 0.000 0.263 984 T C 1.029 175.736 174.700 0.012 0.000 1.040 984 T CA 1.599 63.706 62.100 0.011 0.000 1.147 984 T CB -0.495 68.376 68.868 0.004 0.000 0.865 984 T HN 0.293 nan 8.240 nan 0.000 0.426 985 T N 1.817 116.377 114.554 0.011 0.000 2.934 985 T HA 0.391 4.743 4.350 0.003 0.000 0.283 985 T C 0.189 174.905 174.700 0.026 0.000 1.005 985 T CA -0.448 61.660 62.100 0.013 0.000 1.041 985 T CB 1.617 70.486 68.868 0.002 0.000 1.042 985 T HN 0.275 nan 8.240 nan 0.000 0.505 986 D N -0.132 120.286 120.400 0.030 0.000 2.328 986 D HA 0.046 4.687 4.640 0.003 0.000 0.221 986 D C 1.382 177.713 176.300 0.053 0.000 1.072 986 D CA 0.167 54.192 54.000 0.042 0.000 0.850 986 D CB 0.360 41.183 40.800 0.039 0.000 0.922 986 D HN 0.642 nan 8.370 nan 0.000 0.516 987 E N -0.215 120.014 120.200 0.048 0.000 2.421 987 E HA 0.059 4.411 4.350 0.003 0.000 0.209 987 E C 0.736 177.385 176.600 0.081 0.000 0.871 987 E CA 0.246 56.685 56.400 0.065 0.000 1.064 987 E CB -0.263 29.459 29.700 0.037 0.000 1.075 987 E HN 0.169 nan 8.360 nan 0.000 0.513 988 E N 0.584 120.807 120.200 0.039 0.000 2.321 988 E HA 0.130 4.482 4.350 0.003 0.000 0.189 988 E C 1.118 177.763 176.600 0.075 0.000 1.125 988 E CA -0.085 56.328 56.400 0.021 0.000 1.005 988 E CB 0.137 29.826 29.700 -0.019 0.000 1.140 988 E HN 0.132 nan 8.360 nan 0.000 0.457 989 R N -0.050 120.514 120.500 0.106 0.000 2.517 989 R HA 0.064 4.406 4.340 0.003 0.000 0.265 989 R C 1.503 177.883 176.300 0.133 0.000 0.921 989 R CA 0.167 56.330 56.100 0.104 0.000 1.054 989 R CB 0.528 30.875 30.300 0.079 0.000 1.340 989 R HN -0.024 nan 8.270 nan 0.000 0.551 990 Q N -0.465 119.443 119.800 0.179 0.000 2.389 990 Q HA 0.102 4.444 4.340 0.003 0.000 0.204 990 Q C -0.330 175.819 176.000 0.248 0.000 0.944 990 Q CA 0.738 56.658 55.803 0.195 0.000 0.908 990 Q CB 0.408 29.281 28.738 0.225 0.000 1.002 990 Q HN 0.278 nan 8.270 nan 0.000 0.493 991 H N -0.454 118.723 119.070 0.178 0.000 2.479 991 H HA 0.434 4.991 4.556 0.002 0.000 0.335 991 H C -1.030 174.384 175.328 0.144 0.000 1.142 991 H CA -0.757 55.423 56.048 0.221 0.000 1.234 991 H CB 1.315 31.134 29.762 0.096 0.000 1.503 991 H HN -0.049 nan 8.280 nan 0.000 0.510 992 L N 0.709 122.082 121.223 0.250 0.000 2.439 992 L HA 0.388 4.729 4.340 0.003 0.000 0.270 992 L C -0.781 176.186 176.870 0.162 0.000 0.972 992 L CA -1.087 53.853 54.840 0.167 0.000 0.836 992 L CB 1.636 43.791 42.059 0.159 0.000 1.255 992 L HN 0.430 nan 8.230 nan 0.000 0.404 993 Q N 0.969 120.836 119.800 0.112 0.000 2.235 993 Q HA 0.465 4.806 4.340 0.003 0.000 0.250 993 Q C -0.729 175.301 176.000 0.049 0.000 0.909 993 Q CA -0.420 55.432 55.803 0.082 0.000 0.910 993 Q CB 1.326 30.093 28.738 0.049 0.000 1.223 993 Q HN 0.529 nan 8.270 nan 0.000 0.432 994 E N 1.462 121.676 120.200 0.023 0.000 1.939 994 E HA 0.003 4.354 4.350 0.003 0.000 0.259 994 E C 0.014 176.620 176.600 0.009 0.000 1.259 994 E CA -0.058 56.351 56.400 0.015 0.000 0.971 994 E CB 0.095 29.722 29.700 -0.122 0.000 1.055 994 E HN 0.510 nan 8.360 nan 0.000 0.420 995 V N 0.700 120.625 119.914 0.019 0.000 3.189 995 V HA 0.492 4.614 4.120 0.003 0.000 0.366 995 V C 0.396 176.483 176.094 -0.012 0.000 1.313 995 V CA 0.027 62.310 62.300 -0.030 0.000 1.302 995 V CB 0.080 31.842 31.823 -0.101 0.000 1.260 995 V HN 0.468 nan 8.190 nan 0.000 0.484 996 G N 0.605 109.470 108.800 0.107 0.000 2.405 996 G HA2 0.554 4.516 3.960 0.003 0.000 0.312 996 G HA3 0.554 4.516 3.960 0.003 0.000 0.312 996 G C -1.657 173.484 174.900 0.402 0.000 1.579 996 G CA -0.710 44.556 45.100 0.278 0.000 0.933 996 G HN 0.305 nan 8.290 nan 0.000 0.628 997 L N 1.507 122.958 121.223 0.379 0.000 2.422 997 L HA 0.851 5.193 4.340 0.003 0.000 0.264 997 L C -1.184 175.861 176.870 0.292 0.000 0.984 997 L CA -0.984 54.018 54.840 0.271 0.000 0.819 997 L CB 2.678 44.748 42.059 0.017 0.000 1.330 997 L HN 0.563 nan 8.230 nan 0.000 0.410 998 F N 0.714 120.636 119.950 -0.047 0.000 2.650 998 F HA 0.361 4.889 4.527 0.003 0.000 0.310 998 F C -0.983 174.704 175.800 -0.188 0.000 1.112 998 F CA -0.605 57.251 58.000 -0.240 0.000 0.986 998 F CB 1.604 40.121 39.000 -0.804 0.000 1.285 998 F HN 0.503 nan 8.300 nan 0.000 0.440 999 H N 6.420 124.927 119.070 -0.939 0.000 2.685 999 H HA 0.379 4.937 4.556 0.003 0.000 0.286 999 H C 0.275 175.113 175.328 -0.817 0.000 1.102 999 H CA -0.114 55.482 56.048 -0.753 0.000 1.254 999 H CB 0.873 30.161 29.762 -0.790 0.000 1.397 999 H HN 0.794 nan 8.280 nan 0.000 0.473 1000 L N 3.599 124.444 121.223 -0.630 0.000 2.072 1000 L HA 0.029 4.370 4.340 0.003 0.000 0.205 1000 L C 1.584 178.137 176.870 -0.528 0.000 1.079 1000 L CA 1.590 56.216 54.840 -0.357 0.000 0.752 1000 L CB -0.245 41.714 42.059 -0.168 0.000 0.906 1000 L HN 1.055 nan 8.230 nan 0.000 0.436 1001 G N -0.524 107.797 108.800 -0.799 0.000 2.176 1001 G HA2 -0.195 3.766 3.960 0.003 0.000 0.253 1001 G HA3 -0.195 3.766 3.960 0.003 0.000 0.253 1001 G C 0.049 174.719 174.900 -0.384 0.000 0.979 1001 G CA 0.028 44.787 45.100 -0.568 0.000 0.641 1001 G HN 0.370 nan 8.290 nan 0.000 0.530 1002 E N -0.922 119.153 120.200 -0.209 0.000 2.238 1002 E HA 0.536 4.888 4.350 0.003 0.000 0.267 1002 E C -1.153 175.529 176.600 0.137 0.000 0.887 1002 E CA -1.038 55.340 56.400 -0.038 0.000 0.769 1002 E CB 1.617 31.345 29.700 0.047 0.000 1.187 1002 E HN 0.141 nan 8.360 nan 0.000 0.416 1003 F N 3.144 123.174 119.950 0.132 0.000 2.406 1003 F HA 0.154 4.682 4.527 0.003 0.000 0.358 1003 F C -0.203 175.574 175.800 -0.039 0.000 1.161 1003 F CA -0.592 57.496 58.000 0.146 0.000 1.185 1003 F CB 0.239 39.369 39.000 0.217 0.000 1.421 1003 F HN 0.086 nan 8.300 nan 0.000 0.576 1004 V N 6.240 125.897 119.914 -0.430 0.000 2.673 1004 V HA -0.078 4.044 4.120 0.003 0.000 0.303 1004 V C 0.724 176.540 176.094 -0.463 0.000 1.046 1004 V CA 0.279 62.299 62.300 -0.467 0.000 1.126 1004 V CB 0.608 31.936 31.823 -0.824 0.000 0.934 1004 V HN 0.715 nan 8.190 nan 0.000 0.487 1005 N N 1.840 120.406 118.700 -0.224 0.000 2.273 1005 N HA 0.213 4.954 4.740 0.003 0.000 0.192 1005 N C -0.279 175.116 175.510 -0.191 0.000 1.132 1005 N CA 0.477 53.451 53.050 -0.127 0.000 0.887 1005 N CB 1.569 40.086 38.487 0.051 0.000 1.048 1005 N HN 0.576 nan 8.380 nan 0.000 0.490 1006 V N -0.418 119.359 119.914 -0.230 0.000 3.077 1006 V HA 0.506 4.628 4.120 0.003 0.000 0.299 1006 V C -1.897 174.152 176.094 -0.074 0.000 1.276 1006 V CA -0.820 61.390 62.300 -0.150 0.000 0.993 1006 V CB 1.766 33.585 31.823 -0.006 0.000 1.076 1006 V HN -0.071 nan 8.190 nan 0.000 0.434 1007 F N 4.052 123.993 119.950 -0.015 0.000 2.618 1007 F HA 0.911 5.439 4.527 0.003 0.000 0.332 1007 F C -0.094 175.703 175.800 -0.004 0.000 1.061 1007 F CA -0.197 57.804 58.000 0.002 0.000 0.974 1007 F CB 2.268 41.226 39.000 -0.070 0.000 1.310 1007 F HN 1.078 nan 8.300 nan 0.000 0.491 1008 C N 0.312 119.712 119.300 0.167 0.000 3.193 1008 C HA 0.220 4.682 4.460 0.003 0.000 0.443 1008 C C -1.312 173.672 174.990 -0.011 0.000 0.949 1008 C CA -1.100 57.958 59.018 0.067 0.000 1.110 1008 C CB -0.179 27.629 27.740 0.113 0.000 1.558 1008 C HN 0.872 nan 8.230 nan 0.000 0.643 1009 H N 1.870 120.973 119.070 0.055 0.000 2.964 1009 H HA 0.496 5.053 4.556 0.003 0.000 0.328 1009 H C 0.869 176.217 175.328 0.034 0.000 1.030 1009 H CA 2.510 58.578 56.048 0.033 0.000 1.445 1009 H CB 1.135 30.916 29.762 0.031 0.000 1.449 1009 H HN 1.660 nan 8.280 nan 0.000 0.581 1010 G N 1.425 110.303 108.800 0.129 0.000 2.306 1010 G HA2 0.105 4.067 3.960 0.003 0.000 0.340 1010 G HA3 0.105 4.067 3.960 0.003 0.000 0.340 1010 G C -1.109 173.819 174.900 0.046 0.000 1.630 1010 G CA -0.391 44.757 45.100 0.080 0.000 0.937 1010 G HN 0.635 nan 8.290 nan 0.000 0.693 1011 S N -0.557 115.165 115.700 0.037 0.000 2.704 1011 S HA 0.803 5.275 4.470 0.003 0.000 0.305 1011 S C 0.887 175.498 174.600 0.018 0.000 1.107 1011 S CA -0.808 57.408 58.200 0.027 0.000 0.993 1011 S CB 1.561 64.778 63.200 0.028 0.000 1.110 1011 S HN 0.736 nan 8.310 nan 0.000 0.534 1012 L N 1.877 123.110 121.223 0.016 0.000 2.731 1012 L HA 0.373 4.715 4.340 0.003 0.000 0.240 1012 L C -0.662 176.210 176.870 0.003 0.000 1.120 1012 L CA 0.001 54.846 54.840 0.008 0.000 0.913 1012 L CB 1.046 43.109 42.059 0.007 0.000 1.213 1012 L HN 0.371 nan 8.230 nan 0.000 0.515 1013 V N 0.491 120.410 119.914 0.007 0.000 2.617 1013 V HA 0.216 4.338 4.120 0.003 0.000 0.298 1013 V C 0.471 176.567 176.094 0.003 0.000 1.048 1013 V CA -0.847 61.453 62.300 -0.000 0.000 0.964 1013 V CB 1.562 33.386 31.823 0.001 0.000 1.004 1013 V HN 0.130 nan 8.190 nan 0.000 0.466 1014 M N 3.179 122.780 119.600 0.002 0.000 2.338 1014 M HA 0.044 4.525 4.480 0.003 0.000 0.360 1014 M C 0.747 177.050 176.300 0.006 0.000 1.547 1014 M CA 0.590 55.892 55.300 0.003 0.000 1.001 1014 M CB 0.243 32.846 32.600 0.005 0.000 2.008 1014 M HN 0.787 nan 8.290 nan 0.000 0.464 1015 Q N 3.693 123.497 119.800 0.006 0.000 1.961 1015 Q HA 0.077 4.419 4.340 0.003 0.000 0.197 1015 Q C -0.026 175.979 176.000 0.008 0.000 0.977 1015 Q CA 2.087 57.895 55.803 0.008 0.000 0.830 1015 Q CB 0.343 29.086 28.738 0.009 0.000 0.896 1015 Q HN 0.891 nan 8.270 nan 0.000 0.437 1016 N N -0.521 118.184 118.700 0.010 0.000 2.780 1016 N HA -0.195 4.546 4.740 0.003 0.000 0.247 1016 N C -1.387 174.130 175.510 0.011 0.000 1.076 1016 N CA 0.510 53.568 53.050 0.013 0.000 0.688 1016 N CB -1.651 36.844 38.487 0.015 0.000 0.957 1016 N HN 0.213 nan 8.380 nan 0.000 0.551 1017 L N 0.143 121.372 121.223 0.010 0.000 2.268 1017 L HA 0.601 4.942 4.340 0.003 0.000 0.289 1017 L C 1.249 178.124 176.870 0.008 0.000 1.064 1017 L CA 0.455 55.299 54.840 0.007 0.000 0.824 1017 L CB 0.835 42.896 42.059 0.004 0.000 1.202 1017 L HN 0.229 nan 8.230 nan 0.000 0.433 1018 G N 3.068 111.873 108.800 0.008 0.000 2.853 1018 G HA2 0.147 4.108 3.960 0.003 0.000 0.202 1018 G HA3 0.147 4.108 3.960 0.003 0.000 0.202 1018 G C 0.610 175.513 174.900 0.005 0.000 1.118 1018 G CA 0.253 45.358 45.100 0.008 0.000 0.831 1018 G HN 0.601 nan 8.290 nan 0.000 0.613 1019 E N -0.064 120.139 120.200 0.004 0.000 2.614 1019 E HA 0.007 4.359 4.350 0.003 0.000 0.192 1019 E C 0.181 176.781 176.600 0.001 0.000 0.930 1019 E CA 0.179 56.581 56.400 0.002 0.000 1.346 1019 E CB 0.478 30.180 29.700 0.004 0.000 1.252 1019 E HN 0.314 nan 8.360 nan 0.000 0.647 1020 T N 0.375 114.929 114.554 0.001 0.000 2.785 1020 T HA -0.078 4.274 4.350 0.003 0.000 0.211 1020 T C 0.477 175.171 174.700 -0.010 0.000 1.055 1020 T CA 0.262 62.361 62.100 -0.002 0.000 3.409 1020 T CB -0.755 68.111 68.868 -0.002 0.000 0.842 1020 T HN -0.045 nan 8.240 nan 0.000 0.344 1021 S N 2.931 118.626 115.700 -0.009 0.000 4.531 1021 S HA 0.002 4.474 4.470 0.003 0.000 0.544 1021 S C 0.796 175.370 174.600 -0.043 0.000 0.972 1021 S CA 0.663 58.852 58.200 -0.019 0.000 1.138 1021 S CB -0.635 62.564 63.200 -0.002 0.000 1.052 1021 S HN 1.041 nan 8.310 nan 0.000 0.472 1022 T N 4.355 118.864 114.554 -0.075 0.000 2.829 1022 T HA 0.491 4.843 4.350 0.003 0.000 0.280 1022 T C -1.899 172.664 174.700 -0.228 0.000 0.999 1022 T CA -1.896 60.132 62.100 -0.121 0.000 0.983 1022 T CB 1.673 70.481 68.868 -0.099 0.000 0.968 1022 T HN 0.130 nan 8.240 nan 0.000 0.446 1023 P HA 0.001 nan 4.420 nan 0.000 0.219 1023 P C 0.720 177.543 177.300 -0.795 0.000 1.146 1023 P CA 1.148 63.774 63.100 -0.789 0.000 0.808 1023 P CB 0.078 31.230 31.700 -0.914 0.000 0.779 1024 T N -4.324 109.961 114.554 -0.448 0.000 2.932 1024 T HA 0.584 4.936 4.350 0.003 0.000 0.289 1024 T C -0.731 173.864 174.700 -0.176 0.000 1.039 1024 T CA -0.839 61.081 62.100 -0.299 0.000 1.024 1024 T CB 2.376 71.126 68.868 -0.197 0.000 1.090 1024 T HN -0.179 nan 8.240 nan 0.000 0.496 1025 Q N -0.053 119.679 119.800 -0.114 0.000 2.387 1025 Q HA 0.583 4.925 4.340 0.003 0.000 0.273 1025 Q C 0.172 176.153 176.000 -0.032 0.000 1.089 1025 Q CA -0.023 55.739 55.803 -0.069 0.000 0.824 1025 Q CB 1.561 30.261 28.738 -0.063 0.000 1.367 1025 Q HN 1.494 nan 8.270 nan 0.000 0.443 1026 G N 1.095 109.891 108.800 -0.006 0.000 2.856 1026 G HA2 -0.148 3.814 3.960 0.003 0.000 0.674 1026 G HA3 -0.148 3.814 3.960 0.003 0.000 0.674 1026 G C -0.809 174.110 174.900 0.032 0.000 1.519 1026 G CA -0.035 45.084 45.100 0.032 0.000 0.940 1026 G HN 0.675 nan 8.290 nan 0.000 0.564 1027 S N -0.984 114.755 115.700 0.064 0.000 2.626 1027 S HA 0.635 5.107 4.470 0.003 0.000 0.275 1027 S C -0.815 173.777 174.600 -0.013 0.000 1.175 1027 S CA 0.048 58.266 58.200 0.030 0.000 0.982 1027 S CB 1.701 64.928 63.200 0.044 0.000 1.093 1027 S HN 1.726 nan 8.310 nan 0.000 0.472 1028 V N 5.961 125.825 119.914 -0.083 0.000 2.623 1028 V HA 0.544 4.665 4.120 0.003 0.000 0.304 1028 V C -0.517 175.545 176.094 -0.053 0.000 1.054 1028 V CA -0.664 61.543 62.300 -0.156 0.000 0.882 1028 V CB 1.784 33.408 31.823 -0.332 0.000 1.002 1028 V HN 0.851 nan 8.190 nan 0.000 0.424 1029 L N 4.947 126.167 121.223 -0.006 0.000 2.352 1029 L HA 0.745 5.087 4.340 0.003 0.000 0.269 1029 L C -0.795 176.192 176.870 0.195 0.000 1.034 1029 L CA -0.594 54.240 54.840 -0.010 0.000 0.806 1029 L CB 1.673 43.722 42.059 -0.017 0.000 1.244 1029 L HN 0.752 nan 8.230 nan 0.000 0.447 1030 F N -0.781 119.243 119.950 0.124 0.000 2.596 1030 F HA 0.790 5.319 4.527 0.003 0.000 0.311 1030 F C -0.143 175.686 175.800 0.048 0.000 1.116 1030 F CA -1.044 57.061 58.000 0.175 0.000 0.957 1030 F CB 0.874 40.116 39.000 0.403 0.000 1.250 1030 F HN 0.377 nan 8.300 nan 0.000 0.444 1031 G N 0.935 109.901 108.800 0.277 0.000 2.451 1031 G HA2 0.591 4.553 3.960 0.003 0.000 0.303 1031 G HA3 0.591 4.553 3.960 0.003 0.000 0.303 1031 G C -1.303 173.699 174.900 0.170 0.000 1.166 1031 G CA -0.756 44.441 45.100 0.162 0.000 0.884 1031 G HN 0.812 nan 8.290 nan 0.000 0.514 1032 T N 0.488 115.129 114.554 0.145 0.000 2.909 1032 T HA 0.204 4.556 4.350 0.003 0.000 0.299 1032 T C 1.344 176.117 174.700 0.122 0.000 1.073 1032 T CA -0.476 61.708 62.100 0.140 0.000 0.999 1032 T CB 2.022 70.995 68.868 0.175 0.000 1.098 1032 T HN 0.177 nan 8.240 nan 0.000 0.477 1033 V N 2.522 122.535 119.914 0.165 0.000 2.439 1033 V HA -0.194 3.927 4.120 0.003 0.000 0.253 1033 V C 1.867 178.000 176.094 0.065 0.000 1.074 1033 V CA 1.937 64.307 62.300 0.116 0.000 1.076 1033 V CB -0.565 31.333 31.823 0.125 0.000 0.664 1033 V HN 0.818 nan 8.190 nan 0.000 0.461 1034 N N -0.784 117.958 118.700 0.069 0.000 2.370 1034 N HA 0.182 4.924 4.740 0.003 0.000 0.198 1034 N C 1.407 176.937 175.510 0.033 0.000 1.156 1034 N CA 0.502 53.574 53.050 0.036 0.000 0.839 1034 N CB 0.408 38.911 38.487 0.027 0.000 0.989 1034 N HN 0.579 nan 8.380 nan 0.000 0.468 1035 G N 0.948 109.772 108.800 0.040 0.000 2.234 1035 G HA2 -0.326 3.636 3.960 0.003 0.000 0.260 1035 G HA3 -0.326 3.636 3.960 0.003 0.000 0.260 1035 G C 0.292 175.212 174.900 0.033 0.000 0.987 1035 G CA -0.041 45.075 45.100 0.027 0.000 0.625 1035 G HN 0.307 nan 8.290 nan 0.000 0.532 1036 M N 1.413 121.045 119.600 0.053 0.000 2.248 1036 M HA 0.449 4.931 4.480 0.003 0.000 0.345 1036 M C 0.019 176.344 176.300 0.042 0.000 1.243 1036 M CA 0.659 55.992 55.300 0.054 0.000 1.090 1036 M CB 0.018 32.674 32.600 0.093 0.000 1.683 1036 M HN 0.251 nan 8.290 nan 0.000 0.450 1037 I N 3.727 124.274 120.570 -0.038 0.000 2.474 1037 I HA 0.608 4.780 4.170 0.003 0.000 0.294 1037 I C 0.419 176.325 176.117 -0.352 0.000 1.005 1037 I CA -0.620 60.595 61.300 -0.142 0.000 1.113 1037 I CB 2.120 40.060 38.000 -0.100 0.000 1.289 1037 I HN 0.795 nan 8.210 nan 0.000 0.436 1038 G N 4.931 113.200 108.800 -0.885 0.000 2.798 1038 G HA2 0.751 4.713 3.960 0.003 0.000 0.286 1038 G HA3 0.751 4.713 3.960 0.003 0.000 0.286 1038 G C -2.032 172.263 174.900 -1.009 0.000 1.389 1038 G CA -0.485 43.922 45.100 -1.154 0.000 0.894 1038 G HN 0.389 nan 8.290 nan 0.000 0.488 1039 L N -0.311 120.555 121.223 -0.595 0.000 2.422 1039 L HA 0.829 5.171 4.340 0.003 0.000 0.264 1039 L C -1.211 175.601 176.870 -0.097 0.000 0.984 1039 L CA -0.779 53.901 54.840 -0.267 0.000 0.819 1039 L CB 2.350 44.316 42.059 -0.155 0.000 1.330 1039 L HN 0.422 nan 8.230 nan 0.000 0.410 1040 V N 2.788 122.695 119.914 -0.011 0.000 2.638 1040 V HA 0.855 4.976 4.120 0.003 0.000 0.306 1040 V C -0.326 175.758 176.094 -0.016 0.000 1.052 1040 V CA 0.030 62.339 62.300 0.015 0.000 0.885 1040 V CB 2.031 33.866 31.823 0.021 0.000 0.999 1040 V HN 0.969 nan 8.190 nan 0.000 0.424 1041 T N 0.596 115.159 114.554 0.016 0.000 2.883 1041 T HA 0.649 5.001 4.350 0.003 0.000 0.301 1041 T C -0.393 174.304 174.700 -0.006 0.000 1.158 1041 T CA -0.650 61.461 62.100 0.018 0.000 1.007 1041 T CB 1.968 70.880 68.868 0.074 0.000 1.186 1041 T HN 0.443 nan 8.240 nan 0.000 0.499 1042 S N 0.835 116.512 115.700 -0.038 0.000 2.652 1042 S HA 0.750 5.221 4.470 0.003 0.000 0.270 1042 S C -0.378 174.201 174.600 -0.034 0.000 1.243 1042 S CA -0.831 57.335 58.200 -0.056 0.000 0.999 1042 S CB 0.352 63.513 63.200 -0.066 0.000 0.973 1042 S HN 0.616 nan 8.310 nan 0.000 0.544 1043 L N 0.801 122.032 121.223 0.012 0.000 2.309 1043 L HA 0.537 4.879 4.340 0.003 0.000 0.261 1043 L C 0.112 177.035 176.870 0.090 0.000 1.021 1043 L CA -0.782 54.079 54.840 0.035 0.000 0.823 1043 L CB 2.081 44.227 42.059 0.145 0.000 1.366 1043 L HN 0.600 nan 8.230 nan 0.000 0.423 1044 S N -0.039 115.704 115.700 0.072 0.000 2.523 1044 S HA 0.046 4.517 4.470 0.003 0.000 0.275 1044 S C 0.944 175.643 174.600 0.164 0.000 1.281 1044 S CA -0.230 58.058 58.200 0.147 0.000 1.050 1044 S CB 0.970 64.311 63.200 0.234 0.000 0.937 1044 S HN 0.748 nan 8.310 nan 0.000 0.492 1045 E N 3.479 123.733 120.200 0.090 0.000 2.114 1045 E HA -0.194 4.158 4.350 0.003 0.000 0.199 1045 E C 1.847 178.389 176.600 -0.096 0.000 1.008 1045 E CA 1.702 57.967 56.400 -0.225 0.000 0.810 1045 E CB -0.366 29.323 29.700 -0.018 0.000 0.739 1045 E HN 0.742 nan 8.360 nan 0.000 0.456 1046 S N -0.932 114.821 115.700 0.088 0.000 2.400 1046 S HA -0.163 4.309 4.470 0.003 0.000 0.232 1046 S C 1.214 175.922 174.600 0.179 0.000 1.025 1046 S CA 1.359 59.640 58.200 0.134 0.000 0.993 1046 S CB -0.305 63.006 63.200 0.184 0.000 0.808 1046 S HN 0.480 nan 8.310 nan 0.000 0.478 1047 W N -0.033 121.287 121.300 0.033 0.000 2.770 1047 W HA 0.229 4.891 4.660 0.003 0.000 0.256 1047 W C 1.878 178.391 176.519 -0.011 0.000 1.291 1047 W CA -0.307 57.040 57.345 0.003 0.000 1.396 1047 W CB -0.657 28.787 29.460 -0.027 0.000 1.114 1047 W HN 0.418 nan 8.180 nan 0.000 0.637 1048 Y N 2.041 122.352 120.300 0.019 0.000 2.130 1048 Y HA -0.239 4.312 4.550 0.003 0.000 0.287 1048 Y C 2.124 177.996 175.900 -0.046 0.000 1.124 1048 Y CA 2.022 60.086 58.100 -0.062 0.000 1.118 1048 Y CB -0.853 37.387 38.460 -0.366 0.000 0.994 1048 Y HN -0.167 nan 8.280 nan 0.000 0.497 1049 N N 0.624 119.208 118.700 -0.194 0.000 2.061 1049 N HA -0.208 4.534 4.740 0.003 0.000 0.193 1049 N C 1.896 177.297 175.510 -0.181 0.000 1.030 1049 N CA 1.615 54.537 53.050 -0.213 0.000 0.856 1049 N CB -0.956 37.483 38.487 -0.079 0.000 1.023 1049 N HN 0.381 nan 8.380 nan 0.000 0.424 1050 L N 1.658 122.803 121.223 -0.129 0.000 1.955 1050 L HA -0.076 4.266 4.340 0.003 0.000 0.213 1050 L C 2.187 178.940 176.870 -0.194 0.000 1.072 1050 L CA 1.432 56.166 54.840 -0.176 0.000 0.755 1050 L CB -1.147 40.710 42.059 -0.338 0.000 0.888 1050 L HN 0.093 nan 8.230 nan 0.000 0.432 1051 L N -1.068 120.054 121.223 -0.168 0.000 2.131 1051 L HA -0.202 4.140 4.340 0.003 0.000 0.210 1051 L C 2.407 179.200 176.870 -0.127 0.000 1.092 1051 L CA 0.856 55.632 54.840 -0.107 0.000 0.759 1051 L CB -0.570 41.497 42.059 0.013 0.000 0.903 1051 L HN 0.415 nan 8.230 nan 0.000 0.435 1052 L N -0.344 120.719 121.223 -0.266 0.000 2.072 1052 L HA -0.157 4.185 4.340 0.003 0.000 0.205 1052 L C 1.944 178.717 176.870 -0.161 0.000 1.079 1052 L CA 1.818 56.483 54.840 -0.293 0.000 0.752 1052 L CB -0.621 41.056 42.059 -0.636 0.000 0.906 1052 L HN 0.157 nan 8.230 nan 0.000 0.436 1053 D N -0.821 119.482 120.400 -0.162 0.000 2.084 1053 D HA -0.250 4.392 4.640 0.003 0.000 0.194 1053 D C 2.286 178.522 176.300 -0.107 0.000 0.990 1053 D CA 1.673 55.607 54.000 -0.109 0.000 0.826 1053 D CB -0.121 40.619 40.800 -0.101 0.000 0.971 1053 D HN 0.318 nan 8.370 nan 0.000 0.453 1054 M N 0.027 119.543 119.600 -0.140 0.000 2.106 1054 M HA -0.240 4.242 4.480 0.003 0.000 0.259 1054 M C 2.154 178.375 176.300 -0.131 0.000 1.068 1054 M CA 1.496 56.694 55.300 -0.171 0.000 1.100 1054 M CB -0.143 32.320 32.600 -0.229 0.000 1.351 1054 M HN 0.167 nan 8.290 nan 0.000 0.404 1055 Q N 0.001 119.749 119.800 -0.085 0.000 2.077 1055 Q HA -0.232 4.110 4.340 0.003 0.000 0.206 1055 Q C 1.583 177.550 176.000 -0.055 0.000 0.989 1055 Q CA 2.271 58.042 55.803 -0.053 0.000 0.853 1055 Q CB -0.388 28.356 28.738 0.011 0.000 0.907 1055 Q HN 0.704 nan 8.270 nan 0.000 0.418 1056 N N -0.227 118.452 118.700 -0.034 0.000 2.069 1056 N HA -0.157 4.584 4.740 0.003 0.000 0.191 1056 N C 1.788 177.285 175.510 -0.021 0.000 1.031 1056 N CA 0.712 53.755 53.050 -0.012 0.000 0.852 1056 N CB -0.047 38.436 38.487 -0.006 0.000 1.018 1056 N HN 0.141 nan 8.380 nan 0.000 0.423 1057 R N 1.113 121.586 120.500 -0.044 0.000 2.096 1057 R HA -0.125 4.217 4.340 0.003 0.000 0.240 1057 R C 2.288 178.574 176.300 -0.024 0.000 1.139 1057 R CA 1.003 57.079 56.100 -0.040 0.000 0.952 1057 R CB -1.117 29.139 30.300 -0.073 0.000 0.854 1057 R HN 0.336 nan 8.270 nan 0.000 0.436 1058 L N 1.252 122.453 121.223 -0.038 0.000 2.079 1058 L HA -0.178 4.164 4.340 0.003 0.000 0.210 1058 L C 1.971 178.852 176.870 0.018 0.000 1.081 1058 L CA 1.094 55.932 54.840 -0.003 0.000 0.752 1058 L CB -0.486 41.565 42.059 -0.012 0.000 0.896 1058 L HN 0.182 nan 8.230 nan 0.000 0.433 1059 N N 0.048 118.748 118.700 -0.000 0.000 2.453 1059 N HA -0.136 4.606 4.740 0.003 0.000 0.183 1059 N C 1.609 177.146 175.510 0.045 0.000 1.041 1059 N CA 0.966 54.032 53.050 0.027 0.000 0.900 1059 N CB 0.021 38.521 38.487 0.022 0.000 0.961 1059 N HN 0.458 nan 8.380 nan 0.000 0.443 1060 K N 0.019 120.438 120.400 0.032 0.000 2.098 1060 K HA 0.092 4.414 4.320 0.003 0.000 0.203 1060 K C 1.838 178.459 176.600 0.034 0.000 1.051 1060 K CA 0.647 56.953 56.287 0.032 0.000 0.957 1060 K CB 0.183 32.696 32.500 0.022 0.000 0.738 1060 K HN -0.054 nan 8.250 nan 0.000 0.447 1061 V N 1.414 121.350 119.914 0.036 0.000 2.788 1061 V HA -0.038 4.084 4.120 0.003 0.000 0.251 1061 V C 0.850 176.973 176.094 0.049 0.000 1.068 1061 V CA 0.572 62.897 62.300 0.040 0.000 1.090 1061 V CB -0.279 31.572 31.823 0.047 0.000 0.710 1061 V HN 0.135 nan 8.190 nan 0.000 0.467 1062 I N 1.110 121.717 120.570 0.063 0.000 2.416 1062 I HA 0.185 4.356 4.170 0.003 0.000 0.288 1062 I C 0.595 176.758 176.117 0.077 0.000 1.051 1062 I CA -0.285 61.060 61.300 0.076 0.000 1.375 1062 I CB 0.503 38.566 38.000 0.105 0.000 1.407 1062 I HN 0.113 nan 8.210 nan 0.000 0.516 1063 K N 3.502 123.935 120.400 0.054 0.000 2.295 1063 K HA 0.294 4.616 4.320 0.003 0.000 0.270 1063 K C 0.146 176.787 176.600 0.069 0.000 1.011 1063 K CA -0.215 56.096 56.287 0.041 0.000 0.953 1063 K CB 0.710 33.217 32.500 0.011 0.000 0.956 1063 K HN 0.579 nan 8.250 nan 0.000 0.477 1064 S N 1.137 116.885 115.700 0.079 0.000 2.525 1064 S HA 0.141 4.613 4.470 0.003 0.000 0.290 1064 S C 0.916 175.535 174.600 0.033 0.000 1.152 1064 S CA -0.959 57.319 58.200 0.131 0.000 1.072 1064 S CB 1.098 64.441 63.200 0.238 0.000 1.027 1064 S HN 0.372 nan 8.310 nan 0.000 0.500 1065 V N 3.941 123.842 119.914 -0.022 0.000 3.383 1065 V HA 0.175 4.297 4.120 0.003 0.000 0.272 1065 V C 1.603 177.689 176.094 -0.013 0.000 1.181 1065 V CA 1.373 63.648 62.300 -0.041 0.000 1.171 1065 V CB -0.980 30.782 31.823 -0.102 0.000 0.800 1065 V HN 0.981 nan 8.190 nan 0.000 0.515 1066 G N -1.411 107.396 108.800 0.011 0.000 3.934 1066 G HA2 0.143 4.104 3.960 0.003 0.000 0.212 1066 G HA3 0.143 4.104 3.960 0.003 0.000 0.212 1066 G C 0.330 175.229 174.900 -0.001 0.000 1.126 1066 G CA -0.270 44.849 45.100 0.031 0.000 0.877 1066 G HN 0.106 nan 8.290 nan 0.000 0.556 1067 K N 0.443 120.821 120.400 -0.036 0.000 3.181 1067 K HA -0.125 4.197 4.320 0.003 0.000 0.269 1067 K C -0.161 176.477 176.600 0.063 0.000 1.097 1067 K CA 0.534 56.750 56.287 -0.119 0.000 0.783 1067 K CB -1.702 30.399 32.500 -0.666 0.000 1.267 1067 K HN 0.352 nan 8.250 nan 0.000 0.484 1068 I N 0.966 121.626 120.570 0.150 0.000 2.359 1068 I HA 0.190 4.362 4.170 0.003 0.000 0.294 1068 I C 0.833 177.046 176.117 0.161 0.000 0.987 1068 I CA -0.652 60.760 61.300 0.187 0.000 1.225 1068 I CB 1.546 39.692 38.000 0.243 0.000 1.366 1068 I HN -0.008 nan 8.210 nan 0.000 0.466 1069 E N 3.292 123.568 120.200 0.127 0.000 2.217 1069 E HA 0.034 4.386 4.350 0.003 0.000 0.279 1069 E C 0.984 177.636 176.600 0.086 0.000 1.068 1069 E CA 0.246 56.708 56.400 0.103 0.000 0.882 1069 E CB 0.291 30.046 29.700 0.091 0.000 1.039 1069 E HN 0.425 nan 8.360 nan 0.000 0.418 1070 H N 2.182 121.124 119.070 -0.213 0.000 2.426 1070 H HA -0.160 4.398 4.556 0.003 0.000 0.298 1070 H C 1.314 176.619 175.328 -0.039 0.000 1.107 1070 H CA 2.323 58.161 56.048 -0.350 0.000 1.298 1070 H CB 0.474 30.010 29.762 -0.376 0.000 1.377 1070 H HN 0.436 nan 8.280 nan 0.000 0.519 1071 S N -0.445 115.314 115.700 0.099 0.000 2.383 1071 S HA -0.118 4.353 4.470 0.003 0.000 0.227 1071 S C 1.767 176.409 174.600 0.071 0.000 1.026 1071 S CA 1.011 59.263 58.200 0.087 0.000 0.981 1071 S CB -0.453 62.828 63.200 0.134 0.000 0.818 1071 S HN 0.489 nan 8.310 nan 0.000 0.472 1072 F N 2.025 121.954 119.950 -0.035 0.000 2.074 1072 F HA -0.020 4.509 4.527 0.003 0.000 0.293 1072 F C 2.154 177.940 175.800 -0.024 0.000 1.116 1072 F CA 1.198 59.185 58.000 -0.022 0.000 1.212 1072 F CB -0.755 38.255 39.000 0.017 0.000 0.998 1072 F HN 0.347 nan 8.300 nan 0.000 0.471 1073 W N 2.008 123.178 121.300 -0.217 0.000 2.290 1073 W HA -0.284 4.378 4.660 0.003 0.000 0.323 1073 W C 1.403 177.682 176.519 -0.399 0.000 1.260 1073 W CA 1.403 58.549 57.345 -0.331 0.000 1.266 1073 W CB -0.339 29.022 29.460 -0.164 0.000 1.149 1073 W HN -0.092 nan 8.180 nan 0.000 0.482 1074 R N 1.337 121.488 120.500 -0.583 0.000 2.340 1074 R HA 0.086 4.428 4.340 0.003 0.000 0.215 1074 R C 0.208 176.171 176.300 -0.561 0.000 1.017 1074 R CA 0.216 55.798 56.100 -0.862 0.000 1.111 1074 R CB -0.822 28.962 30.300 -0.860 0.000 1.049 1074 R HN -0.068 nan 8.270 nan 0.000 0.490 1075 S N 1.082 116.524 115.700 -0.430 0.000 2.523 1075 S HA 0.167 4.639 4.470 0.003 0.000 0.275 1075 S C -0.251 174.220 174.600 -0.215 0.000 1.281 1075 S CA -0.630 57.425 58.200 -0.242 0.000 1.050 1075 S CB 0.531 63.615 63.200 -0.194 0.000 0.937 1075 S HN 0.241 nan 8.310 nan 0.000 0.492 1076 F N 4.610 124.469 119.950 -0.152 0.000 2.590 1076 F HA 0.123 4.652 4.527 0.004 0.000 0.389 1076 F C 0.317 176.103 175.800 -0.022 0.000 1.049 1076 F CA 0.670 58.632 58.000 -0.063 0.000 1.199 1076 F CB 0.102 39.097 39.000 -0.008 0.000 1.058 1076 F HN 0.663 nan 8.300 nan 0.000 0.556 1077 H N 3.986 122.754 119.070 -0.504 0.000 2.934 1077 H HA 0.437 4.994 4.556 0.003 0.000 0.340 1077 H C -0.959 174.190 175.328 -0.299 0.000 1.008 1077 H CA -0.192 55.662 56.048 -0.323 0.000 1.317 1077 H CB 1.230 30.752 29.762 -0.400 0.000 1.670 1077 H HN 0.656 nan 8.280 nan 0.000 0.516 1078 T N 0.899 115.200 114.554 -0.421 0.000 2.864 1078 T HA 0.236 4.588 4.350 0.003 0.000 0.289 1078 T C 0.851 175.388 174.700 -0.272 0.000 1.082 1078 T CA -0.705 61.147 62.100 -0.415 0.000 1.009 1078 T CB 1.848 70.618 68.868 -0.164 0.000 1.234 1078 T HN 0.492 nan 8.240 nan 0.000 0.526 1079 E N 0.010 120.099 120.200 -0.185 0.000 2.265 1079 E HA -0.045 4.307 4.350 0.003 0.000 0.196 1079 E C 2.008 178.624 176.600 0.027 0.000 0.996 1079 E CA 1.260 57.632 56.400 -0.047 0.000 0.832 1079 E CB -0.061 29.607 29.700 -0.054 0.000 0.756 1079 E HN 0.580 nan 8.360 nan 0.000 0.491 1080 R N -0.027 120.490 120.500 0.028 0.000 2.056 1080 R HA 0.040 4.382 4.340 0.003 0.000 0.220 1080 R C 1.015 177.376 176.300 0.102 0.000 1.187 1080 R CA 1.558 57.701 56.100 0.071 0.000 0.932 1080 R CB -0.054 30.298 30.300 0.086 0.000 0.821 1080 R HN 0.130 nan 8.270 nan 0.000 0.449 1081 K N -1.257 119.225 120.400 0.137 0.000 2.400 1081 K HA 0.384 4.706 4.320 0.003 0.000 0.249 1081 K C -0.720 176.012 176.600 0.220 0.000 1.069 1081 K CA -0.672 55.711 56.287 0.161 0.000 0.965 1081 K CB 1.525 34.115 32.500 0.150 0.000 1.365 1081 K HN -0.145 nan 8.250 nan 0.000 0.539 1082 T N 1.207 115.886 114.554 0.209 0.000 4.200 1082 T HA 0.092 4.444 4.350 0.003 0.000 0.210 1082 T C -1.228 173.570 174.700 0.163 0.000 0.898 1082 T CA -0.588 61.636 62.100 0.208 0.000 1.549 1082 T CB 0.164 69.121 68.868 0.147 0.000 0.757 1082 T HN 0.501 nan 8.240 nan 0.000 0.613 1083 E N 1.563 121.875 120.200 0.186 0.000 2.435 1083 E HA 0.232 4.584 4.350 0.003 0.000 0.254 1083 E C -1.790 174.883 176.600 0.122 0.000 1.289 1083 E CA -1.734 54.732 56.400 0.109 0.000 0.983 1083 E CB 0.344 30.059 29.700 0.026 0.000 1.010 1083 E HN 0.176 nan 8.360 nan 0.000 0.509 1084 P HA 0.101 nan 4.420 nan 0.000 0.195 1084 P C -0.830 176.533 177.300 0.104 0.000 1.086 1084 P CA 0.745 63.903 63.100 0.096 0.000 0.798 1084 P CB 0.281 32.042 31.700 0.102 0.000 0.679 1085 A N -2.576 120.330 122.820 0.143 0.000 2.590 1085 A HA 0.660 4.982 4.320 0.003 0.000 0.294 1085 A C -1.484 176.269 177.584 0.282 0.000 1.046 1085 A CA -0.243 51.917 52.037 0.205 0.000 0.684 1085 A CB 0.461 19.567 19.000 0.175 0.000 1.279 1085 A HN 0.276 nan 8.150 nan 0.000 0.415 1086 T N -1.140 113.646 114.554 0.386 0.000 2.831 1086 T HA 0.594 4.945 4.350 0.003 0.000 0.333 1086 T C 0.754 175.684 174.700 0.384 0.000 1.684 1086 T CA 0.162 62.490 62.100 0.380 0.000 1.049 1086 T CB 0.674 69.682 68.868 0.234 0.000 1.518 1086 T HN 2.592 nan 8.240 nan 0.000 0.491 1087 G N 0.153 109.029 108.800 0.126 0.000 2.244 1087 G HA2 -0.232 3.730 3.960 0.003 0.000 0.274 1087 G HA3 -0.232 3.730 3.960 0.003 0.000 0.274 1087 G C -0.230 174.520 174.900 -0.250 0.000 1.002 1087 G CA 0.593 45.537 45.100 -0.260 0.000 0.740 1087 G HN 0.777 nan 8.290 nan 0.000 0.516 1088 F N -0.637 119.454 119.950 0.236 0.000 2.573 1088 F HA 0.584 5.113 4.527 0.003 0.000 0.316 1088 F C -0.239 175.775 175.800 0.357 0.000 1.148 1088 F CA -1.194 56.921 58.000 0.192 0.000 0.940 1088 F CB 1.739 40.785 39.000 0.077 0.000 1.214 1088 F HN -0.119 nan 8.300 nan 0.000 0.448 1089 I N 3.748 124.577 120.570 0.431 0.000 2.410 1089 I HA 0.178 4.350 4.170 0.003 0.000 0.286 1089 I C -0.780 175.477 176.117 0.233 0.000 1.009 1089 I CA -0.760 60.797 61.300 0.429 0.000 1.111 1089 I CB 1.443 39.745 38.000 0.503 0.000 1.262 1089 I HN 0.510 nan 8.210 nan 0.000 0.443 1090 D N 5.191 125.769 120.400 0.297 0.000 2.336 1090 D HA 0.094 4.736 4.640 0.003 0.000 0.249 1090 D C 1.180 177.546 176.300 0.110 0.000 1.213 1090 D CA -0.459 53.625 54.000 0.141 0.000 0.870 1090 D CB 1.697 42.786 40.800 0.481 0.000 1.076 1090 D HN 0.680 nan 8.370 nan 0.000 0.483 1091 G N 2.950 111.609 108.800 -0.234 0.000 2.535 1091 G HA2 -0.258 3.704 3.960 0.003 0.000 0.218 1091 G HA3 -0.258 3.704 3.960 0.003 0.000 0.218 1091 G C 0.998 175.943 174.900 0.074 0.000 1.122 1091 G CA 0.128 45.173 45.100 -0.091 0.000 0.769 1091 G HN 0.413 nan 8.290 nan 0.000 0.549 1092 D N 0.135 120.585 120.400 0.082 0.000 2.117 1092 D HA -0.085 4.557 4.640 0.003 0.000 0.197 1092 D C 2.360 178.773 176.300 0.188 0.000 0.987 1092 D CA 0.264 54.348 54.000 0.140 0.000 0.829 1092 D CB -0.141 40.777 40.800 0.196 0.000 0.961 1092 D HN 0.270 nan 8.370 nan 0.000 0.460 1093 L N 0.491 121.850 121.223 0.226 0.000 1.973 1093 L HA -0.099 4.243 4.340 0.003 0.000 0.208 1093 L C 1.378 178.350 176.870 0.169 0.000 1.073 1093 L CA 0.818 55.768 54.840 0.183 0.000 0.746 1093 L CB -0.147 41.965 42.059 0.088 0.000 0.891 1093 L HN 0.019 nan 8.230 nan 0.000 0.433 1094 I N 0.520 121.201 120.570 0.184 0.000 3.381 1094 I HA -0.183 3.989 4.170 0.003 0.000 0.328 1094 I C 1.289 177.555 176.117 0.248 0.000 1.153 1094 I CA 1.294 62.714 61.300 0.199 0.000 1.218 1094 I CB -1.367 36.789 38.000 0.261 0.000 0.989 1094 I HN 0.505 nan 8.210 nan 0.000 0.593 1095 E N -0.399 119.941 120.200 0.232 0.000 2.603 1095 E HA 0.024 4.376 4.350 0.003 0.000 0.218 1095 E C 1.574 178.287 176.600 0.189 0.000 0.878 1095 E CA 0.232 56.765 56.400 0.221 0.000 1.348 1095 E CB 0.546 30.365 29.700 0.198 0.000 1.318 1095 E HN 0.425 nan 8.360 nan 0.000 0.673 1096 S N 0.276 116.087 115.700 0.185 0.000 2.603 1096 S HA -0.008 4.464 4.470 0.003 0.000 0.220 1096 S C 1.421 176.131 174.600 0.182 0.000 0.967 1096 S CA -0.195 58.092 58.200 0.145 0.000 0.920 1096 S CB -0.282 62.995 63.200 0.128 0.000 0.773 1096 S HN 0.209 nan 8.310 nan 0.000 0.529 1097 F N 2.607 122.590 119.950 0.054 0.000 2.259 1097 F HA 0.304 4.833 4.527 0.003 0.000 0.298 1097 F C 1.443 177.262 175.800 0.032 0.000 1.088 1097 F CA 0.419 58.442 58.000 0.039 0.000 1.358 1097 F CB -0.343 38.681 39.000 0.039 0.000 1.040 1097 F HN 0.172 nan 8.300 nan 0.000 0.505 1098 L N -0.488 120.675 121.223 -0.101 0.000 2.492 1098 L HA -0.013 4.329 4.340 0.003 0.000 0.223 1098 L C 1.097 177.888 176.870 -0.131 0.000 1.132 1098 L CA 0.522 55.239 54.840 -0.205 0.000 0.850 1098 L CB -0.484 41.537 42.059 -0.063 0.000 0.966 1098 L HN -0.035 nan 8.230 nan 0.000 0.454 1099 D N 0.431 120.795 120.400 -0.060 0.000 2.379 1099 D HA 0.196 4.837 4.640 0.003 0.000 0.208 1099 D C 0.812 177.088 176.300 -0.039 0.000 1.065 1099 D CA 0.217 54.195 54.000 -0.036 0.000 0.848 1099 D CB 0.601 41.402 40.800 0.001 0.000 0.949 1099 D HN 0.338 nan 8.370 nan 0.000 0.509 1100 I N -0.651 119.890 120.570 -0.049 0.000 2.664 1100 I HA 0.310 4.482 4.170 0.003 0.000 0.308 1100 I C 0.779 176.860 176.117 -0.060 0.000 0.984 1100 I CA -1.037 60.246 61.300 -0.027 0.000 1.213 1100 I CB 1.280 39.295 38.000 0.026 0.000 1.379 1100 I HN -0.253 nan 8.210 nan 0.000 0.501 1101 S N 3.026 118.704 115.700 -0.036 0.000 2.558 1101 S HA 0.007 4.479 4.470 0.003 0.000 0.287 1101 S C 1.061 175.633 174.600 -0.047 0.000 1.321 1101 S CA -0.146 58.030 58.200 -0.041 0.000 1.048 1101 S CB 0.904 64.089 63.200 -0.024 0.000 0.844 1101 S HN 0.879 nan 8.310 nan 0.000 0.512 1102 R N 3.000 123.467 120.500 -0.055 0.000 2.117 1102 R HA -0.025 4.317 4.340 0.003 0.000 0.243 1102 R C -1.072 175.217 176.300 -0.017 0.000 1.143 1102 R CA 1.887 57.956 56.100 -0.052 0.000 0.968 1102 R CB -1.632 28.640 30.300 -0.046 0.000 0.863 1102 R HN 0.605 nan 8.270 nan 0.000 0.444 1103 P HA -0.154 nan 4.420 nan 0.000 0.215 1103 P C 0.419 177.732 177.300 0.023 0.000 1.157 1103 P CA 1.720 64.823 63.100 0.005 0.000 0.868 1103 P CB 0.042 31.741 31.700 -0.000 0.000 0.788 1104 K N -1.595 118.821 120.400 0.028 0.000 2.147 1104 K HA -0.115 4.206 4.320 0.003 0.000 0.205 1104 K C 2.083 178.745 176.600 0.103 0.000 1.049 1104 K CA 1.258 57.578 56.287 0.055 0.000 0.936 1104 K CB -0.509 32.024 32.500 0.055 0.000 0.722 1104 K HN 0.044 nan 8.250 nan 0.000 0.446 1105 M N 1.209 120.872 119.600 0.106 0.000 2.163 1105 M HA -0.309 4.173 4.480 0.003 0.000 0.258 1105 M C 2.112 178.523 176.300 0.186 0.000 1.071 1105 M CA 1.932 57.361 55.300 0.215 0.000 1.093 1105 M CB -0.159 32.482 32.600 0.068 0.000 1.285 1105 M HN 0.087 nan 8.290 nan 0.000 0.420 1106 Q N -0.864 118.995 119.800 0.099 0.000 2.170 1106 Q HA -0.222 4.120 4.340 0.003 0.000 0.203 1106 Q C 1.585 177.617 176.000 0.053 0.000 0.976 1106 Q CA 1.443 57.286 55.803 0.067 0.000 0.858 1106 Q CB -0.358 28.404 28.738 0.039 0.000 0.907 1106 Q HN 0.568 nan 8.270 nan 0.000 0.433 1107 E N 0.120 120.352 120.200 0.055 0.000 2.520 1107 E HA -0.095 4.257 4.350 0.003 0.000 0.201 1107 E C 0.605 177.229 176.600 0.040 0.000 1.122 1107 E CA 0.168 56.592 56.400 0.040 0.000 0.896 1107 E CB 0.335 30.058 29.700 0.039 0.000 0.891 1107 E HN 0.148 nan 8.360 nan 0.000 0.533 1108 V N -0.697 119.245 119.914 0.047 0.000 3.159 1108 V HA -0.079 4.043 4.120 0.003 0.000 0.234 1108 V C 1.794 177.874 176.094 -0.023 0.000 1.313 1108 V CA 0.792 63.099 62.300 0.012 0.000 1.271 1108 V CB 0.951 32.785 31.823 0.017 0.000 1.053 1108 V HN 0.374 nan 8.190 nan 0.000 0.476 1109 V N 0.556 120.466 119.914 -0.006 0.000 3.383 1109 V HA 0.263 4.385 4.120 0.003 0.000 0.272 1109 V C 1.308 177.393 176.094 -0.015 0.000 1.181 1109 V CA 0.563 62.848 62.300 -0.026 0.000 1.171 1109 V CB -1.304 30.519 31.823 0.000 0.000 0.800 1109 V HN 0.389 nan 8.190 nan 0.000 0.515 1110 A N 2.751 125.568 122.820 -0.004 0.000 2.522 1110 A HA 0.064 4.386 4.320 0.003 0.000 0.285 1110 A C 1.152 178.731 177.584 -0.008 0.000 1.222 1110 A CA 1.117 53.153 52.037 -0.002 0.000 0.931 1110 A CB -1.430 17.571 19.000 0.003 0.000 1.003 1110 A HN 0.993 nan 8.150 nan 0.000 0.560 1111 N N -1.635 117.060 118.700 -0.007 0.000 2.948 1111 N HA -0.159 4.583 4.740 0.003 0.000 0.239 1111 N C -0.120 175.382 175.510 -0.014 0.000 0.954 1111 N CA 1.067 54.112 53.050 -0.008 0.000 0.941 1111 N CB -1.572 36.911 38.487 -0.007 0.000 1.101 1111 N HN 0.665 nan 8.380 nan 0.000 0.579 1112 L N 2.070 123.280 121.223 -0.022 0.000 2.453 1112 L HA 0.150 4.492 4.340 0.003 0.000 0.272 1112 L C 0.817 177.676 176.870 -0.018 0.000 1.182 1112 L CA 0.839 55.659 54.840 -0.032 0.000 0.858 1112 L CB 0.418 42.441 42.059 -0.059 0.000 1.120 1112 L HN 0.121 nan 8.230 nan 0.000 0.474 1113 Q N 2.911 122.706 119.800 -0.007 0.000 3.105 1113 Q HA 0.333 4.675 4.340 0.003 0.000 0.280 1113 Q C -1.115 174.939 176.000 0.090 0.000 1.042 1113 Q CA -0.463 55.353 55.803 0.022 0.000 0.857 1113 Q CB 1.573 30.314 28.738 0.006 0.000 1.468 1113 Q HN 0.682 nan 8.270 nan 0.000 0.494 1114 Y N -0.019 120.226 120.300 -0.092 0.000 2.786 1114 Y HA -0.031 4.521 4.550 0.003 0.000 0.307 1114 Y C 0.506 176.334 175.900 -0.120 0.000 0.927 1114 Y CA 0.800 58.826 58.100 -0.123 0.000 1.089 1114 Y CB 0.047 38.416 38.460 -0.153 0.000 1.441 1114 Y HN 0.822 nan 8.280 nan 0.000 0.584 1115 D N 0.847 120.888 120.400 -0.598 0.000 6.856 1115 D HA -0.329 4.313 4.640 0.003 0.000 0.175 1115 D C 0.927 176.927 176.300 -0.501 0.000 2.045 1115 D CA 2.046 55.721 54.000 -0.541 0.000 0.868 1115 D CB -0.237 40.408 40.800 -0.258 0.000 0.688 1115 D HN 0.619 nan 8.370 nan 0.000 0.683 1116 D N -0.213 119.850 120.400 -0.562 0.000 3.032 1116 D HA 0.081 4.723 4.640 0.003 0.000 0.280 1116 D C 2.340 178.527 176.300 -0.188 0.000 1.381 1116 D CA 1.420 55.260 54.000 -0.266 0.000 1.068 1116 D CB -0.585 40.118 40.800 -0.161 0.000 1.148 1116 D HN 0.223 nan 8.370 nan 0.000 0.401 1117 G N 0.336 109.057 108.800 -0.131 0.000 2.507 1117 G HA2 -0.149 3.813 3.960 0.003 0.000 0.221 1117 G HA3 -0.149 3.813 3.960 0.003 0.000 0.221 1117 G C 0.895 175.813 174.900 0.029 0.000 1.119 1117 G CA 1.176 46.300 45.100 0.040 0.000 0.751 1117 G HN 0.363 nan 8.290 nan 0.000 0.574 1118 S N -1.705 113.941 115.700 -0.090 0.000 2.599 1118 S HA 0.587 5.059 4.470 0.003 0.000 0.287 1118 S C 0.120 174.632 174.600 -0.146 0.000 1.105 1118 S CA -0.077 58.108 58.200 -0.024 0.000 0.899 1118 S CB 1.622 64.917 63.200 0.158 0.000 1.100 1118 S HN 0.476 nan 8.310 nan 0.000 0.482 1119 G N 2.482 111.241 108.800 -0.068 0.000 2.428 1119 G HA2 0.502 4.463 3.960 0.003 0.000 0.293 1119 G HA3 0.502 4.463 3.960 0.003 0.000 0.293 1119 G C -0.485 174.366 174.900 -0.082 0.000 1.059 1119 G CA 0.144 45.195 45.100 -0.081 0.000 1.194 1119 G HN 0.679 nan 8.290 nan 0.000 0.435 1120 M N 1.876 121.388 119.600 -0.147 0.000 2.956 1120 M HA 0.448 4.930 4.480 0.003 0.000 0.272 1120 M C -0.689 175.532 176.300 -0.131 0.000 1.132 1120 M CA -0.751 54.490 55.300 -0.098 0.000 0.805 1120 M CB 1.638 34.234 32.600 -0.006 0.000 1.639 1120 M HN 0.437 nan 8.290 nan 0.000 0.520 1121 K N 0.418 120.784 120.400 -0.058 0.000 2.434 1121 K HA 0.152 4.474 4.320 0.003 0.000 0.170 1121 K C -0.690 175.902 176.600 -0.014 0.000 1.738 1121 K CA -0.043 56.216 56.287 -0.046 0.000 1.027 1121 K CB 0.566 33.035 32.500 -0.051 0.000 1.595 1121 K HN 0.733 nan 8.250 nan 0.000 0.546 1122 R N 1.116 121.616 120.500 -0.001 0.000 2.549 1122 R HA 0.254 4.596 4.340 0.003 0.000 0.259 1122 R C 0.444 176.752 176.300 0.013 0.000 1.095 1122 R CA -0.741 55.361 56.100 0.005 0.000 1.148 1122 R CB 0.246 30.549 30.300 0.005 0.000 1.181 1122 R HN 0.011 nan 8.270 nan 0.000 0.571 1123 E N 0.965 121.168 120.200 0.006 0.000 3.368 1123 E HA 0.162 4.514 4.350 0.003 0.000 0.320 1123 E C -0.819 175.783 176.600 0.002 0.000 1.507 1123 E CA -0.089 56.312 56.400 0.002 0.000 1.600 1123 E CB 0.088 29.788 29.700 0.000 0.000 1.117 1123 E HN 0.768 nan 8.360 nan 0.000 0.726 1124 A N 0.064 122.881 122.820 -0.006 0.000 2.372 1124 A HA 0.350 4.672 4.320 0.003 0.000 0.309 1124 A C 0.037 177.617 177.584 -0.006 0.000 1.013 1124 A CA -0.169 51.861 52.037 -0.012 0.000 0.978 1124 A CB -0.456 18.522 19.000 -0.037 0.000 1.174 1124 A HN 0.833 nan 8.150 nan 0.000 0.357 1125 T N 0.212 114.771 114.554 0.009 0.000 2.889 1125 T HA 0.614 4.966 4.350 0.003 0.000 0.340 1125 T C 1.765 176.498 174.700 0.055 0.000 1.145 1125 T CA 0.545 62.661 62.100 0.028 0.000 0.986 1125 T CB 0.230 69.113 68.868 0.025 0.000 1.461 1125 T HN 1.936 nan 8.240 nan 0.000 0.541 1126 A N 0.918 123.792 122.820 0.090 0.000 1.845 1126 A HA -0.084 4.237 4.320 0.003 0.000 0.215 1126 A C 1.927 179.580 177.584 0.114 0.000 1.195 1126 A CA 1.715 53.848 52.037 0.161 0.000 0.616 1126 A CB -1.419 17.647 19.000 0.110 0.000 0.832 1126 A HN 0.899 nan 8.150 nan 0.000 0.443 1127 D N 0.372 120.804 120.400 0.054 0.000 2.421 1127 D HA -0.131 4.511 4.640 0.003 0.000 0.223 1127 D C 0.590 176.911 176.300 0.034 0.000 0.979 1127 D CA 1.113 55.134 54.000 0.034 0.000 0.959 1127 D CB -0.194 40.617 40.800 0.017 0.000 0.874 1127 D HN 0.516 nan 8.370 nan 0.000 0.513 1128 D N -0.445 119.977 120.400 0.037 0.000 2.566 1128 D HA -0.009 4.633 4.640 0.003 0.000 0.253 1128 D C 2.360 178.661 176.300 0.002 0.000 0.992 1128 D CA -0.194 53.806 54.000 -0.001 0.000 0.940 1128 D CB 0.251 41.031 40.800 -0.034 0.000 1.095 1128 D HN 0.081 nan 8.370 nan 0.000 0.480 1129 L N 1.610 122.861 121.223 0.048 0.000 1.994 1129 L HA -0.094 4.248 4.340 0.003 0.000 0.208 1129 L C 2.703 179.692 176.870 0.199 0.000 1.071 1129 L CA 1.160 56.051 54.840 0.086 0.000 0.745 1129 L CB -1.342 40.799 42.059 0.136 0.000 0.892 1129 L HN 0.071 nan 8.230 nan 0.000 0.431 1130 I N 0.081 120.806 120.570 0.257 0.000 2.143 1130 I HA -0.397 3.775 4.170 0.003 0.000 0.245 1130 I C 2.663 178.841 176.117 0.102 0.000 1.068 1130 I CA 1.589 62.976 61.300 0.144 0.000 1.326 1130 I CB -0.585 37.436 38.000 0.035 0.000 1.028 1130 I HN 0.217 nan 8.210 nan 0.000 0.412 1131 K N 1.255 121.700 120.400 0.074 0.000 2.001 1131 K HA -0.160 4.162 4.320 0.003 0.000 0.214 1131 K C 1.938 178.588 176.600 0.084 0.000 1.050 1131 K CA 1.893 58.217 56.287 0.061 0.000 0.934 1131 K CB -0.718 31.806 32.500 0.041 0.000 0.718 1131 K HN 0.145 nan 8.250 nan 0.000 0.443 1132 V N -0.024 119.935 119.914 0.076 0.000 2.233 1132 V HA -0.271 3.851 4.120 0.003 0.000 0.247 1132 V C 2.342 178.527 176.094 0.152 0.000 1.050 1132 V CA 1.951 64.322 62.300 0.119 0.000 1.010 1132 V CB -0.486 31.334 31.823 -0.006 0.000 0.637 1132 V HN 0.207 nan 8.190 nan 0.000 0.444 1133 V N 0.277 120.282 119.914 0.151 0.000 2.215 1133 V HA -0.380 3.742 4.120 0.003 0.000 0.249 1133 V C 2.536 178.724 176.094 0.156 0.000 1.054 1133 V CA 2.688 65.099 62.300 0.185 0.000 1.012 1133 V CB -0.877 31.114 31.823 0.279 0.000 0.639 1133 V HN 0.769 nan 8.190 nan 0.000 0.448 1134 E N 0.812 121.090 120.200 0.130 0.000 2.055 1134 E HA -0.325 4.027 4.350 0.003 0.000 0.209 1134 E C 2.238 178.892 176.600 0.090 0.000 1.036 1134 E CA 2.322 58.779 56.400 0.095 0.000 0.849 1134 E CB -0.704 29.036 29.700 0.067 0.000 0.767 1134 E HN 0.581 nan 8.360 nan 0.000 0.461 1135 E N 0.197 120.451 120.200 0.089 0.000 2.219 1135 E HA -0.199 4.153 4.350 0.003 0.000 0.198 1135 E C 2.140 178.781 176.600 0.069 0.000 0.998 1135 E CA 1.258 57.703 56.400 0.076 0.000 0.818 1135 E CB -0.289 29.465 29.700 0.090 0.000 0.741 1135 E HN 0.534 nan 8.360 nan 0.000 0.477 1136 L N 0.735 122.014 121.223 0.094 0.000 2.341 1136 L HA -0.010 4.331 4.340 0.003 0.000 0.214 1136 L C 2.103 179.053 176.870 0.133 0.000 1.115 1136 L CA 1.495 56.375 54.840 0.066 0.000 0.820 1136 L CB -0.167 41.927 42.059 0.058 0.000 0.944 1136 L HN 0.100 nan 8.230 nan 0.000 0.452 1137 T N -3.904 110.747 114.554 0.161 0.000 3.252 1137 T HA 0.041 4.393 4.350 0.003 0.000 0.250 1137 T C 1.578 176.355 174.700 0.128 0.000 1.123 1137 T CA -0.182 62.051 62.100 0.222 0.000 1.006 1137 T CB -0.299 68.683 68.868 0.190 0.000 0.992 1137 T HN 0.205 nan 8.240 nan 0.000 0.547 1138 R N 1.261 121.815 120.500 0.089 0.000 2.276 1138 R HA 0.236 4.578 4.340 0.003 0.000 0.196 1138 R C 2.032 178.358 176.300 0.043 0.000 0.961 1138 R CA 0.186 56.308 56.100 0.036 0.000 1.024 1138 R CB -0.379 29.936 30.300 0.025 0.000 0.940 1138 R HN 0.598 nan 8.270 nan 0.000 0.480 1139 I N -0.382 120.251 120.570 0.106 0.000 3.684 1139 I HA 0.058 4.230 4.170 0.003 0.000 0.304 1139 I C 0.460 176.671 176.117 0.157 0.000 1.278 1139 I CA 0.604 61.968 61.300 0.106 0.000 1.272 1139 I CB -1.024 37.036 38.000 0.100 0.000 1.029 1139 I HN 0.024 nan 8.210 nan 0.000 0.458 1140 H N 0.000 119.092 119.070 0.036 0.000 2.539 1140 H HA 0.000 4.558 4.556 0.003 0.000 0.296 1140 H CA 0.000 56.059 56.048 0.018 0.000 1.023 1140 H CB 0.000 29.770 29.762 0.014 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496