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 3i7n_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 FSSXXXXXXX XXGEEVEVHN 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 SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NXXXXXXXXX XREATADDLI 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 0.000 175.764 176.300 -0.894 0.000 1.140 1 M CA 0.000 54.953 55.300 -0.579 0.000 0.988 1 M CB 0.000 32.416 32.600 -0.307 0.000 1.302 2 S N 1.133 116.335 115.700 -0.830 0.000 2.509 2 S HA 0.850 5.322 4.470 0.003 0.000 0.297 2 S C -1.554 172.505 174.600 -0.901 0.000 1.118 2 S CA -0.208 57.556 58.200 -0.728 0.000 1.074 2 S CB 0.949 63.928 63.200 -0.369 0.000 1.038 2 S HN 0.476 nan 8.310 nan 0.000 0.498 3 Y N 3.367 123.464 120.300 -0.338 0.000 2.535 3 Y HA 0.491 5.043 4.550 0.003 0.000 0.341 3 Y C 0.153 175.944 175.900 -0.182 0.000 1.041 3 Y CA -1.145 56.758 58.100 -0.329 0.000 1.307 3 Y CB 0.718 39.022 38.460 -0.259 0.000 1.095 3 Y HN 0.594 nan 8.280 nan 0.000 0.534 4 N N 1.294 119.888 118.700 -0.176 0.000 2.381 4 N HA 0.394 5.136 4.740 0.003 0.000 0.294 4 N C -1.789 173.679 175.510 -0.071 0.000 1.216 4 N CA -0.853 52.028 53.050 -0.283 0.000 0.803 4 N CB 2.909 40.895 38.487 -0.835 0.000 1.372 4 N HN 0.524 nan 8.380 nan 0.000 0.500 5 Y N 0.500 120.719 120.300 -0.136 0.000 2.406 5 Y HA 0.452 5.004 4.550 0.003 0.000 0.340 5 Y C -0.942 174.946 175.900 -0.020 0.000 0.975 5 Y CA -0.832 57.254 58.100 -0.024 0.000 1.056 5 Y CB 1.134 39.610 38.460 0.027 0.000 1.210 5 Y HN 0.272 nan 8.280 nan 0.000 0.448 6 V N 5.048 124.758 119.914 -0.340 0.000 2.531 6 V HA 0.913 5.035 4.120 0.003 0.000 0.301 6 V C -1.451 174.481 176.094 -0.271 0.000 1.034 6 V CA -0.763 61.438 62.300 -0.165 0.000 0.865 6 V CB 0.893 32.646 31.823 -0.116 0.000 0.995 6 V HN 0.631 nan 8.190 nan 0.000 0.424 7 V N 1.892 121.736 119.914 -0.117 0.000 2.914 7 V HA 0.610 4.732 4.120 0.003 0.000 0.314 7 V C 0.432 176.432 176.094 -0.157 0.000 1.084 7 V CA -0.579 61.633 62.300 -0.146 0.000 0.963 7 V CB 1.843 33.561 31.823 -0.175 0.000 1.025 7 V HN 0.914 nan 8.190 nan 0.000 0.432 8 T N 2.333 116.807 114.554 -0.134 0.000 2.794 8 T HA 0.461 4.813 4.350 0.003 0.000 0.296 8 T C 1.010 175.563 174.700 -0.245 0.000 0.949 8 T CA 0.574 62.591 62.100 -0.137 0.000 1.101 8 T CB 1.469 70.326 68.868 -0.018 0.000 0.905 8 T HN 0.997 nan 8.240 nan 0.000 0.516 9 A N 3.369 126.056 122.820 -0.223 0.000 1.956 9 A HA 0.244 4.566 4.320 0.003 0.000 0.212 9 A C 0.951 178.541 177.584 0.009 0.000 1.188 9 A CA 0.461 52.453 52.037 -0.074 0.000 0.675 9 A CB 0.131 19.094 19.000 -0.063 0.000 0.845 9 A HN 0.616 nan 8.150 nan 0.000 0.455 10 Q N 0.459 120.229 119.800 -0.050 0.000 2.274 10 Q HA 0.443 4.785 4.340 0.003 0.000 0.268 10 Q C -1.210 174.776 176.000 -0.024 0.000 1.015 10 Q CA -0.425 55.364 55.803 -0.024 0.000 0.775 10 Q CB 1.104 29.818 28.738 -0.040 0.000 1.256 10 Q HN 0.299 nan 8.270 nan 0.000 0.442 11 K N 4.157 124.558 120.400 0.000 0.000 2.336 11 K HA 0.244 4.566 4.320 0.003 0.000 0.262 11 K C -2.219 174.383 176.600 0.003 0.000 0.992 11 K CA -1.425 54.867 56.287 0.009 0.000 0.927 11 K CB -0.037 32.471 32.500 0.013 0.000 0.956 11 K HN 0.517 nan 8.250 nan 0.000 0.495 12 P HA -0.057 nan 4.420 nan 0.000 0.266 12 P C 0.184 177.485 177.300 0.002 0.000 1.195 12 P CA 0.277 63.380 63.100 0.005 0.000 0.768 12 P CB 0.561 32.266 31.700 0.007 0.000 0.838 13 T N -1.440 113.115 114.554 0.002 0.000 3.003 13 T HA 0.434 4.786 4.350 0.003 0.000 0.261 13 T C 0.726 175.437 174.700 0.018 0.000 1.003 13 T CA -0.179 61.927 62.100 0.011 0.000 0.917 13 T CB -0.012 68.862 68.868 0.010 0.000 1.084 13 T HN 0.390 nan 8.240 nan 0.000 0.522 14 A N 1.098 123.923 122.820 0.008 0.000 2.366 14 A HA 0.663 4.985 4.320 0.003 0.000 0.249 14 A C -0.186 177.408 177.584 0.017 0.000 1.084 14 A CA -0.405 51.638 52.037 0.010 0.000 0.794 14 A CB 0.538 19.537 19.000 -0.003 0.000 1.034 14 A HN 0.364 nan 8.150 nan 0.000 0.491 15 V N 2.506 122.435 119.914 0.026 0.000 2.407 15 V HA 0.234 4.356 4.120 0.003 0.000 0.291 15 V C 0.044 176.152 176.094 0.024 0.000 1.018 15 V CA -0.634 61.694 62.300 0.046 0.000 0.842 15 V CB 1.389 33.283 31.823 0.117 0.000 0.996 15 V HN 0.987 nan 8.190 nan 0.000 0.426 16 N N 3.306 122.009 118.700 0.005 0.000 2.432 16 N HA 0.202 4.944 4.740 0.003 0.000 0.174 16 N C 0.598 176.102 175.510 -0.010 0.000 1.037 16 N CA 0.782 53.823 53.050 -0.015 0.000 0.892 16 N CB 1.315 39.778 38.487 -0.040 0.000 1.049 16 N HN 0.745 nan 8.380 nan 0.000 0.442 17 G N -0.019 108.780 108.800 -0.001 0.000 2.720 17 G HA2 0.520 4.482 3.960 0.003 0.000 0.295 17 G HA3 0.520 4.482 3.960 0.003 0.000 0.295 17 G C -1.301 173.612 174.900 0.021 0.000 1.437 17 G CA -0.509 44.592 45.100 0.001 0.000 0.886 17 G HN 0.235 nan 8.290 nan 0.000 0.509 18 c N -0.514 118.108 118.600 0.036 0.000 2.782 18 c HA 0.889 5.461 4.570 0.003 0.000 0.328 18 c C -0.923 173.177 174.090 0.017 0.000 1.145 18 c CA -1.042 55.306 56.329 0.033 0.000 1.358 18 c CB 0.932 43.538 42.510 0.160 0.000 1.841 18 c HN 1.065 nan 8.230 nan 0.000 0.477 19 V N 1.797 121.694 119.914 -0.028 0.000 2.888 19 V HA 0.802 4.924 4.120 0.003 0.000 0.309 19 V C -0.261 175.807 176.094 -0.043 0.000 1.114 19 V CA 0.357 62.649 62.300 -0.013 0.000 0.940 19 V CB 2.433 34.249 31.823 -0.010 0.000 1.021 19 V HN 1.240 nan 8.190 nan 0.000 0.426 20 T N 3.652 118.195 114.554 -0.017 0.000 2.895 20 T HA 0.915 5.267 4.350 0.003 0.000 0.283 20 T C -0.071 174.589 174.700 -0.067 0.000 1.014 20 T CA 0.564 62.633 62.100 -0.052 0.000 1.037 20 T CB 1.123 69.970 68.868 -0.035 0.000 1.006 20 T HN 1.716 nan 8.240 nan 0.000 0.468 21 G N 2.428 111.136 108.800 -0.153 0.000 2.323 21 G HA2 0.295 4.257 3.960 0.003 0.000 0.291 21 G HA3 0.295 4.257 3.960 0.003 0.000 0.291 21 G C -1.926 172.778 174.900 -0.326 0.000 1.278 21 G CA -0.822 44.143 45.100 -0.225 0.000 0.860 21 G HN 0.774 nan 8.290 nan 0.000 0.504 22 H N 0.099 119.225 119.070 0.093 0.000 2.572 22 H HA 0.499 5.057 4.556 0.003 0.000 0.248 22 H C 0.016 175.418 175.328 0.122 0.000 1.397 22 H CA -0.535 55.564 56.048 0.085 0.000 1.319 22 H CB 0.892 30.686 29.762 0.053 0.000 1.452 22 H HN 0.366 nan 8.280 nan 0.000 0.535 23 F N 0.822 120.789 119.950 0.028 0.000 2.694 23 F HA 0.119 4.648 4.527 0.003 0.000 0.292 23 F C 1.386 177.214 175.800 0.047 0.000 1.121 23 F CA 0.442 58.441 58.000 -0.001 0.000 1.352 23 F CB 0.719 39.671 39.000 -0.080 0.000 1.107 23 F HN 0.294 nan 8.300 nan 0.000 0.597 24 T N -0.478 114.065 114.554 -0.018 0.000 2.983 24 T HA 0.224 4.576 4.350 0.003 0.000 0.250 24 T C 0.174 174.920 174.700 0.077 0.000 1.037 24 T CA 0.973 63.101 62.100 0.047 0.000 1.142 24 T CB -0.007 68.867 68.868 0.010 0.000 0.876 24 T HN 0.109 nan 8.240 nan 0.000 0.455 25 S N -0.761 114.979 115.700 0.066 0.000 2.565 25 S HA 0.643 5.115 4.470 0.003 0.000 0.269 25 S C 0.916 175.559 174.600 0.073 0.000 1.153 25 S CA -0.422 57.807 58.200 0.048 0.000 0.835 25 S CB 1.485 64.713 63.200 0.047 0.000 1.122 25 S HN 0.165 nan 8.310 nan 0.000 0.462 26 A N 0.240 123.074 122.820 0.023 0.000 2.019 26 A HA 0.033 4.355 4.320 0.003 0.000 0.219 26 A C 0.270 177.828 177.584 -0.042 0.000 1.164 26 A CA 1.314 53.338 52.037 -0.022 0.000 0.644 26 A CB -0.452 18.518 19.000 -0.050 0.000 0.805 26 A HN 0.720 nan 8.150 nan 0.000 0.449 27 E N 0.872 121.088 120.200 0.026 0.000 2.256 27 E HA 0.615 4.967 4.350 0.003 0.000 0.243 27 E C -1.518 175.146 176.600 0.107 0.000 0.925 27 E CA -0.430 56.005 56.400 0.059 0.000 0.748 27 E CB 0.821 30.534 29.700 0.023 0.000 1.206 27 E HN 0.171 nan 8.360 nan 0.000 0.428 28 D N 1.200 121.722 120.400 0.202 0.000 2.738 28 D HA 0.222 4.864 4.640 0.003 0.000 0.229 28 D C -1.828 174.560 176.300 0.146 0.000 1.200 28 D CA -0.575 53.507 54.000 0.135 0.000 0.746 28 D CB 1.625 42.483 40.800 0.096 0.000 1.597 28 D HN 0.258 nan 8.370 nan 0.000 0.471 29 L N 2.705 123.944 121.223 0.025 0.000 2.305 29 L HA 0.545 4.887 4.340 0.003 0.000 0.284 29 L C -0.839 175.985 176.870 -0.077 0.000 1.013 29 L CA -0.288 54.490 54.840 -0.104 0.000 0.819 29 L CB 0.997 43.011 42.059 -0.075 0.000 1.227 29 L HN 0.227 nan 8.230 nan 0.000 0.417 30 N N 4.531 123.167 118.700 -0.107 0.000 2.370 30 N HA 0.533 5.275 4.740 0.003 0.000 0.303 30 N C -1.403 174.053 175.510 -0.089 0.000 1.103 30 N CA -0.541 52.471 53.050 -0.063 0.000 0.848 30 N CB 2.720 41.193 38.487 -0.023 0.000 1.235 30 N HN 0.478 nan 8.380 nan 0.000 0.496 31 L N 1.399 122.577 121.223 -0.074 0.000 2.319 31 L HA 0.490 4.832 4.340 0.003 0.000 0.281 31 L C -1.607 175.212 176.870 -0.086 0.000 1.005 31 L CA -0.629 54.134 54.840 -0.128 0.000 0.828 31 L CB 0.871 42.778 42.059 -0.253 0.000 1.227 31 L HN 0.261 nan 8.230 nan 0.000 0.415 32 L N 6.591 127.736 121.223 -0.130 0.000 2.260 32 L HA 0.484 4.826 4.340 0.003 0.000 0.289 32 L C -0.283 176.502 176.870 -0.141 0.000 1.057 32 L CA 0.282 55.031 54.840 -0.152 0.000 0.811 32 L CB 1.073 42.995 42.059 -0.227 0.000 1.184 32 L HN 0.576 nan 8.230 nan 0.000 0.429 33 I N 3.162 123.663 120.570 -0.115 0.000 2.378 33 I HA 0.535 4.707 4.170 0.003 0.000 0.291 33 I C 0.094 176.162 176.117 -0.082 0.000 0.992 33 I CA -0.512 60.722 61.300 -0.110 0.000 1.154 33 I CB 1.745 39.651 38.000 -0.157 0.000 1.315 33 I HN 0.663 nan 8.210 nan 0.000 0.448 34 A N 7.184 129.965 122.820 -0.065 0.000 2.260 34 A HA 0.525 4.847 4.320 0.003 0.000 0.312 34 A C 0.332 177.888 177.584 -0.046 0.000 1.321 34 A CA -0.612 51.382 52.037 -0.073 0.000 0.928 34 A CB 0.390 19.340 19.000 -0.084 0.000 1.158 34 A HN 0.584 nan 8.150 nan 0.000 0.542 35 K N 1.598 121.968 120.400 -0.051 0.000 2.780 35 K HA 0.077 4.399 4.320 0.003 0.000 0.169 35 K C 1.207 177.775 176.600 -0.053 0.000 1.121 35 K CA 0.964 57.229 56.287 -0.036 0.000 1.272 35 K CB -0.377 32.106 32.500 -0.029 0.000 1.772 35 K HN 0.708 nan 8.250 nan 0.000 0.475 36 N N -0.392 118.275 118.700 -0.055 0.000 2.765 36 N HA -0.069 4.673 4.740 0.003 0.000 0.230 36 N C 0.720 176.173 175.510 -0.096 0.000 1.022 36 N CA 1.633 54.641 53.050 -0.071 0.000 1.106 36 N CB 0.009 38.468 38.487 -0.048 0.000 1.527 36 N HN 0.357 nan 8.380 nan 0.000 0.507 37 T N -1.773 112.734 114.554 -0.078 0.000 3.215 37 T HA 0.480 4.832 4.350 0.003 0.000 0.271 37 T C -0.060 174.570 174.700 -0.117 0.000 1.012 37 T CA -0.490 61.530 62.100 -0.133 0.000 0.899 37 T CB 0.035 68.856 68.868 -0.079 0.000 1.089 37 T HN -0.069 nan 8.240 nan 0.000 0.552 38 R N 1.093 121.534 120.500 -0.098 0.000 2.502 38 R HA 0.536 4.878 4.340 0.003 0.000 0.300 38 R C -1.673 174.564 176.300 -0.106 0.000 0.984 38 R CA -0.805 55.241 56.100 -0.089 0.000 0.882 38 R CB 2.092 32.359 30.300 -0.055 0.000 1.180 38 R HN 0.278 nan 8.270 nan 0.000 0.444 39 L N 1.964 123.111 121.223 -0.127 0.000 2.307 39 L HA 0.463 4.805 4.340 0.003 0.000 0.284 39 L C -0.460 176.318 176.870 -0.154 0.000 1.023 39 L CA -0.092 54.662 54.840 -0.144 0.000 0.810 39 L CB 1.466 43.426 42.059 -0.165 0.000 1.231 39 L HN 0.528 nan 8.230 nan 0.000 0.423 40 E N 4.592 124.697 120.200 -0.159 0.000 2.199 40 E HA 0.523 4.875 4.350 0.003 0.000 0.265 40 E C -1.273 175.162 176.600 -0.274 0.000 0.882 40 E CA -0.308 55.956 56.400 -0.228 0.000 0.759 40 E CB 1.685 31.329 29.700 -0.094 0.000 1.148 40 E HN 0.530 nan 8.360 nan 0.000 0.412 41 I N 4.007 124.315 120.570 -0.437 0.000 2.378 41 I HA 0.375 4.547 4.170 0.003 0.000 0.291 41 I C -0.954 174.846 176.117 -0.528 0.000 0.992 41 I CA -0.617 60.471 61.300 -0.354 0.000 1.154 41 I CB 0.678 38.498 38.000 -0.299 0.000 1.315 41 I HN 0.481 nan 8.210 nan 0.000 0.448 42 Y N 4.255 124.440 120.300 -0.192 0.000 2.602 42 Y HA 0.636 5.188 4.550 0.003 0.000 0.342 42 Y C -0.272 175.549 175.900 -0.132 0.000 1.029 42 Y CA -1.051 56.950 58.100 -0.165 0.000 1.080 42 Y CB 1.883 40.220 38.460 -0.206 0.000 1.284 42 Y HN 0.086 nan 8.280 nan 0.000 0.485 43 V N 2.539 122.500 119.914 0.078 0.000 2.384 43 V HA 0.326 4.448 4.120 0.003 0.000 0.287 43 V C -0.543 175.568 176.094 0.027 0.000 1.020 43 V CA -1.087 61.231 62.300 0.030 0.000 0.850 43 V CB 1.343 33.177 31.823 0.019 0.000 0.987 43 V HN 0.534 nan 8.190 nan 0.000 0.436 44 V N 5.225 125.134 119.914 -0.009 0.000 2.585 44 V HA 0.407 4.529 4.120 0.003 0.000 0.296 44 V C 0.740 176.828 176.094 -0.010 0.000 1.035 44 V CA 0.367 62.650 62.300 -0.028 0.000 1.084 44 V CB 0.777 32.565 31.823 -0.058 0.000 0.953 44 V HN 1.109 nan 8.190 nan 0.000 0.483 45 T N 1.280 115.831 114.554 -0.005 0.000 2.838 45 T HA 0.692 5.044 4.350 0.003 0.000 0.292 45 T C 0.986 175.687 174.700 0.001 0.000 1.113 45 T CA -0.116 61.986 62.100 0.005 0.000 1.008 45 T CB 1.852 70.730 68.868 0.017 0.000 1.259 45 T HN 0.635 nan 8.240 nan 0.000 0.520 46 A N 0.218 123.043 122.820 0.007 0.000 1.908 46 A HA -0.105 4.217 4.320 0.003 0.000 0.218 46 A C 2.093 179.684 177.584 0.011 0.000 1.181 46 A CA 1.954 53.996 52.037 0.007 0.000 0.627 46 A CB -1.049 17.958 19.000 0.012 0.000 0.818 46 A HN 0.917 nan 8.150 nan 0.000 0.445 47 E N -0.667 119.543 120.200 0.018 0.000 2.274 47 E HA 0.158 4.510 4.350 0.003 0.000 0.194 47 E C 1.209 177.825 176.600 0.027 0.000 0.996 47 E CA 1.186 57.600 56.400 0.024 0.000 0.840 47 E CB -0.110 29.610 29.700 0.033 0.000 0.772 47 E HN 0.673 nan 8.360 nan 0.000 0.491 48 G N 0.330 109.141 108.800 0.018 0.000 2.460 48 G HA2 -0.173 3.789 3.960 0.003 0.000 0.208 48 G HA3 -0.173 3.789 3.960 0.003 0.000 0.208 48 G C -1.155 173.747 174.900 0.003 0.000 1.185 48 G CA -0.104 45.004 45.100 0.015 0.000 1.262 48 G HN 0.086 nan 8.290 nan 0.000 0.522 49 L N 1.901 123.126 121.223 0.003 0.000 2.257 49 L HA 0.638 4.980 4.340 0.003 0.000 0.290 49 L C 0.853 177.786 176.870 0.104 0.000 1.044 49 L CA -0.512 54.318 54.840 -0.016 0.000 0.810 49 L CB 1.050 42.951 42.059 -0.263 0.000 1.193 49 L HN 0.663 nan 8.230 nan 0.000 0.425 50 R N 5.686 126.258 120.500 0.121 0.000 2.205 50 R HA 0.393 4.735 4.340 0.003 0.000 0.342 50 R C -2.343 174.045 176.300 0.147 0.000 1.058 50 R CA -1.370 54.798 56.100 0.112 0.000 0.904 50 R CB 0.719 31.054 30.300 0.057 0.000 1.089 50 R HN 0.309 nan 8.270 nan 0.000 0.471 51 P HA -0.064 nan 4.420 nan 0.000 0.265 51 P C -0.399 176.822 177.300 -0.130 0.000 1.193 51 P CA -0.053 62.992 63.100 -0.091 0.000 0.765 51 P CB 1.312 32.985 31.700 -0.045 0.000 0.823 52 V N 1.832 121.596 119.914 -0.250 0.000 3.103 52 V HA 0.235 4.357 4.120 0.003 0.000 0.229 52 V C 0.213 176.228 176.094 -0.132 0.000 1.304 52 V CA 0.957 63.173 62.300 -0.139 0.000 1.298 52 V CB 0.232 31.978 31.823 -0.128 0.000 1.093 52 V HN 0.413 nan 8.190 nan 0.000 0.489 53 K N 0.809 121.065 120.400 -0.239 0.000 2.550 53 K HA 0.410 4.732 4.320 0.003 0.000 0.252 53 K C -1.397 175.071 176.600 -0.220 0.000 0.943 53 K CA -0.154 56.036 56.287 -0.161 0.000 0.806 53 K CB 1.811 34.260 32.500 -0.084 0.000 1.289 53 K HN 0.050 nan 8.250 nan 0.000 0.435 54 E N 4.276 124.383 120.200 -0.155 0.000 2.267 54 E HA 0.279 4.631 4.350 0.003 0.000 0.248 54 E C -0.966 175.575 176.600 -0.098 0.000 0.899 54 E CA -0.612 55.698 56.400 -0.150 0.000 0.764 54 E CB 1.156 30.771 29.700 -0.142 0.000 1.227 54 E HN 0.507 nan 8.360 nan 0.000 0.421 55 V N 0.717 120.572 119.914 -0.099 0.000 2.966 55 V HA 0.942 5.064 4.120 0.003 0.000 0.317 55 V C 0.448 176.480 176.094 -0.104 0.000 1.070 55 V CA -0.685 61.560 62.300 -0.091 0.000 1.008 55 V CB 1.730 33.499 31.823 -0.090 0.000 1.070 55 V HN 0.489 nan 8.190 nan 0.000 0.457 56 G N 2.047 110.783 108.800 -0.107 0.000 2.420 56 G HA2 0.685 4.647 3.960 0.003 0.000 0.331 56 G HA3 0.685 4.647 3.960 0.003 0.000 0.331 56 G C -0.849 173.927 174.900 -0.207 0.000 1.168 56 G CA -0.971 44.059 45.100 -0.115 0.000 0.936 56 G HN 0.719 nan 8.290 nan 0.000 0.479 57 M N 0.269 119.721 119.600 -0.247 0.000 2.705 57 M HA 0.313 4.795 4.480 0.003 0.000 0.311 57 M C -0.833 175.193 176.300 -0.458 0.000 1.214 57 M CA -0.878 54.205 55.300 -0.362 0.000 0.920 57 M CB 2.274 34.682 32.600 -0.319 0.000 1.687 57 M HN 0.441 nan 8.290 nan 0.000 0.481 58 Y N 0.928 120.825 120.300 -0.673 0.000 2.960 58 Y HA 0.544 5.097 4.550 0.004 0.000 0.393 58 Y C 0.688 175.565 175.900 -1.704 0.000 1.118 58 Y CA -0.673 56.651 58.100 -1.292 0.000 1.850 58 Y CB -0.611 37.509 38.460 -0.567 0.000 1.827 58 Y HN 0.738 nan 8.280 nan 0.000 0.463 59 G N -0.099 107.732 108.800 -1.615 0.000 2.328 59 G HA2 0.288 4.250 3.960 0.003 0.000 0.295 59 G HA3 0.288 4.250 3.960 0.003 0.000 0.295 59 G C -1.537 173.043 174.900 -0.532 0.000 1.413 59 G CA -1.261 43.227 45.100 -1.020 0.000 0.817 59 G HN 0.015 nan 8.290 nan 0.000 0.546 60 K N 0.524 120.817 120.400 -0.179 0.000 2.248 60 K HA 0.437 4.759 4.320 0.003 0.000 0.281 60 K C -0.034 176.468 176.600 -0.163 0.000 1.054 60 K CA -0.464 55.747 56.287 -0.126 0.000 0.903 60 K CB 1.952 34.408 32.500 -0.073 0.000 1.077 60 K HN 0.345 nan 8.250 nan 0.000 0.474 61 I N 3.193 123.660 120.570 -0.173 0.000 2.578 61 I HA -0.116 4.056 4.170 0.003 0.000 0.286 61 I C 1.159 177.184 176.117 -0.154 0.000 1.126 61 I CA 0.344 61.537 61.300 -0.177 0.000 1.380 61 I CB 0.808 38.706 38.000 -0.170 0.000 1.408 61 I HN 0.819 nan 8.210 nan 0.000 0.532 62 A N 6.420 129.139 122.820 -0.169 0.000 2.063 62 A HA 0.328 4.650 4.320 0.003 0.000 0.211 62 A C 0.626 178.138 177.584 -0.120 0.000 1.177 62 A CA 0.423 52.374 52.037 -0.144 0.000 0.759 62 A CB 0.420 19.316 19.000 -0.172 0.000 0.857 62 A HN 0.438 nan 8.150 nan 0.000 0.468 63 V N -0.222 119.601 119.914 -0.153 0.000 2.709 63 V HA 0.608 4.730 4.120 0.003 0.000 0.308 63 V C -0.630 175.376 176.094 -0.148 0.000 1.062 63 V CA -0.328 61.911 62.300 -0.102 0.000 0.901 63 V CB 1.578 33.374 31.823 -0.045 0.000 1.003 63 V HN 0.467 nan 8.190 nan 0.000 0.425 64 M N 3.985 123.554 119.600 -0.051 0.000 2.182 64 M HA 0.599 5.081 4.480 0.003 0.000 0.266 64 M C -1.829 174.500 176.300 0.048 0.000 0.989 64 M CA -0.094 55.172 55.300 -0.057 0.000 1.003 64 M CB 1.615 34.157 32.600 -0.096 0.000 1.812 64 M HN 0.678 nan 8.290 nan 0.000 0.472 65 E N 4.575 124.862 120.200 0.145 0.000 2.314 65 E HA 0.529 4.881 4.350 0.003 0.000 0.272 65 E C -1.598 175.161 176.600 0.265 0.000 0.884 65 E CA -0.599 55.931 56.400 0.216 0.000 0.753 65 E CB 2.987 32.859 29.700 0.287 0.000 1.213 65 E HN 0.748 nan 8.360 nan 0.000 0.432 66 L N 3.118 124.468 121.223 0.211 0.000 2.322 66 L HA 0.604 4.946 4.340 0.003 0.000 0.279 66 L C -0.322 176.757 176.870 0.349 0.000 1.036 66 L CA -0.794 54.175 54.840 0.215 0.000 0.807 66 L CB 0.518 42.633 42.059 0.094 0.000 1.226 66 L HN 0.499 nan 8.230 nan 0.000 0.433 67 F N 0.716 120.738 119.950 0.120 0.000 2.686 67 F HA 0.773 5.302 4.527 0.003 0.000 0.311 67 F C -0.907 174.958 175.800 0.109 0.000 1.128 67 F CA -1.216 56.845 58.000 0.102 0.000 0.946 67 F CB 1.857 40.894 39.000 0.062 0.000 1.336 67 F HN 0.277 nan 8.300 nan 0.000 0.457 68 R N 2.288 122.860 120.500 0.120 0.000 2.569 68 R HA 0.520 4.862 4.340 0.003 0.000 0.293 68 R C -2.882 173.492 176.300 0.124 0.000 1.186 68 R CA -1.380 54.726 56.100 0.011 0.000 0.956 68 R CB 1.813 32.131 30.300 0.031 0.000 1.196 68 R HN 0.520 nan 8.270 nan 0.000 0.444 69 P HA 0.132 nan 4.420 nan 0.000 0.330 69 P C -0.944 176.399 177.300 0.072 0.000 1.434 69 P CA 0.100 63.280 63.100 0.134 0.000 0.873 69 P CB 0.420 32.212 31.700 0.152 0.000 2.146 70 K N -1.041 119.392 120.400 0.056 0.000 2.316 70 K HA 0.500 4.822 4.320 0.003 0.000 0.251 70 K C 0.867 177.482 176.600 0.025 0.000 0.934 70 K CA -0.166 56.143 56.287 0.037 0.000 0.802 70 K CB 1.179 33.699 32.500 0.034 0.000 1.171 70 K HN 0.734 nan 8.250 nan 0.000 0.426 71 G N 1.191 110.001 108.800 0.016 0.000 2.304 71 G HA2 -0.250 3.712 3.960 0.003 0.000 0.252 71 G HA3 -0.250 3.712 3.960 0.003 0.000 0.252 71 G C -0.046 174.855 174.900 0.000 0.000 1.014 71 G CA 0.019 45.124 45.100 0.008 0.000 0.619 71 G HN 0.522 nan 8.290 nan 0.000 0.525 72 E N 1.529 121.729 120.200 0.001 0.000 2.406 72 E HA 0.305 4.657 4.350 0.003 0.000 0.258 72 E C 1.756 178.345 176.600 -0.020 0.000 1.043 72 E CA 0.633 57.024 56.400 -0.015 0.000 0.929 72 E CB 1.082 30.767 29.700 -0.024 0.000 0.969 72 E HN 0.599 nan 8.360 nan 0.000 0.462 73 S N 3.480 119.164 115.700 -0.027 0.000 2.402 73 S HA -0.125 4.347 4.470 0.003 0.000 0.229 73 S C 0.797 175.381 174.600 -0.028 0.000 1.021 73 S CA 0.811 58.995 58.200 -0.028 0.000 0.974 73 S CB 0.030 63.211 63.200 -0.032 0.000 0.800 73 S HN 0.521 nan 8.310 nan 0.000 0.484 74 K N -0.097 120.285 120.400 -0.031 0.000 2.495 74 K HA 0.501 4.823 4.320 0.003 0.000 0.268 74 K C -2.048 174.544 176.600 -0.013 0.000 1.008 74 K CA -0.999 55.282 56.287 -0.011 0.000 0.882 74 K CB 0.500 32.993 32.500 -0.013 0.000 1.443 74 K HN -0.226 nan 8.250 nan 0.000 0.447 75 D N 1.242 121.671 120.400 0.047 0.000 2.488 75 D HA 0.156 4.798 4.640 0.003 0.000 0.238 75 D C -0.143 176.185 176.300 0.047 0.000 1.138 75 D CA 0.235 54.259 54.000 0.039 0.000 0.873 75 D CB 0.407 41.302 40.800 0.158 0.000 1.183 75 D HN 0.330 nan 8.370 nan 0.000 0.458 76 L N 1.486 122.579 121.223 -0.217 0.000 2.365 76 L HA 0.495 4.837 4.340 0.003 0.000 0.267 76 L C -0.300 176.502 176.870 -0.114 0.000 1.033 76 L CA -1.180 53.567 54.840 -0.155 0.000 0.802 76 L CB 0.800 42.599 42.059 -0.432 0.000 1.267 76 L HN 0.182 nan 8.230 nan 0.000 0.457 77 L N 0.968 122.267 121.223 0.127 0.000 2.333 77 L HA 0.504 4.846 4.340 0.003 0.000 0.280 77 L C -1.163 175.907 176.870 0.332 0.000 1.004 77 L CA -0.127 54.773 54.840 0.099 0.000 0.820 77 L CB 1.383 43.266 42.059 -0.294 0.000 1.247 77 L HN 0.317 nan 8.230 nan 0.000 0.416 78 F N 6.519 126.637 119.950 0.281 0.000 2.415 78 F HA 0.682 5.211 4.527 0.003 0.000 0.348 78 F C -0.833 174.994 175.800 0.045 0.000 1.119 78 F CA -0.833 57.286 58.000 0.199 0.000 1.069 78 F CB 0.733 39.813 39.000 0.135 0.000 1.124 78 F HN 0.353 nan 8.300 nan 0.000 0.472 79 I N 7.913 128.028 120.570 -0.758 0.000 2.478 79 I HA 0.238 4.410 4.170 0.003 0.000 0.287 79 I C -1.522 174.070 176.117 -0.875 0.000 1.042 79 I CA -1.059 59.808 61.300 -0.722 0.000 1.067 79 I CB 1.901 39.687 38.000 -0.357 0.000 1.233 79 I HN 0.421 nan 8.210 nan 0.000 0.431 80 L N 6.573 127.316 121.223 -0.800 0.000 2.272 80 L HA 0.482 4.824 4.340 0.003 0.000 0.289 80 L C 0.222 176.916 176.870 -0.293 0.000 1.032 80 L CA 0.369 54.926 54.840 -0.472 0.000 0.810 80 L CB 1.555 43.422 42.059 -0.319 0.000 1.205 80 L HN 0.490 nan 8.230 nan 0.000 0.422 81 T N 3.351 117.772 114.554 -0.222 0.000 2.849 81 T HA 0.399 4.751 4.350 0.003 0.000 0.284 81 T C 1.234 175.806 174.700 -0.214 0.000 1.004 81 T CA 0.328 62.319 62.100 -0.182 0.000 1.021 81 T CB 1.422 70.223 68.868 -0.112 0.000 1.013 81 T HN 0.798 nan 8.240 nan 0.000 0.527 82 A N 2.150 124.855 122.820 -0.192 0.000 2.119 82 A HA 0.066 4.388 4.320 0.003 0.000 0.217 82 A C 1.714 179.097 177.584 -0.335 0.000 1.153 82 A CA 1.075 52.943 52.037 -0.281 0.000 0.692 82 A CB -0.194 18.732 19.000 -0.123 0.000 0.799 82 A HN 0.773 nan 8.150 nan 0.000 0.458 83 K N -1.264 119.083 120.400 -0.089 0.000 2.520 83 K HA 0.241 4.563 4.320 0.003 0.000 0.205 83 K C -0.868 175.951 176.600 0.364 0.000 1.035 83 K CA -0.260 56.089 56.287 0.103 0.000 1.188 83 K CB -0.162 32.364 32.500 0.044 0.000 0.894 83 K HN 0.470 nan 8.250 nan 0.000 0.497 84 Y N -1.970 118.374 120.300 0.074 0.000 4.668 84 Y HA -0.299 4.253 4.550 0.003 0.000 0.234 84 Y C -0.594 175.318 175.900 0.020 0.000 1.056 84 Y CA -0.039 58.084 58.100 0.038 0.000 2.025 84 Y CB -2.863 35.634 38.460 0.060 0.000 1.613 84 Y HN 0.253 nan 8.280 nan 0.000 0.653 85 N N 1.357 120.122 118.700 0.107 0.000 2.438 85 N HA 0.442 5.184 4.740 0.003 0.000 0.267 85 N C 0.048 175.538 175.510 -0.034 0.000 1.222 85 N CA 0.555 53.618 53.050 0.023 0.000 0.930 85 N CB 0.642 39.140 38.487 0.019 0.000 1.083 85 N HN 0.432 nan 8.380 nan 0.000 0.476 86 A N 1.792 124.613 122.820 0.002 0.000 2.330 86 A HA 0.738 5.060 4.320 0.003 0.000 0.327 86 A C -0.051 177.553 177.584 0.033 0.000 1.155 86 A CA -0.685 51.347 52.037 -0.009 0.000 0.803 86 A CB 0.359 19.439 19.000 0.132 0.000 1.208 86 A HN 0.883 nan 8.150 nan 0.000 0.477 87 C N 0.796 120.077 119.300 -0.032 0.000 3.323 87 C HA 0.875 5.337 4.460 0.003 0.000 0.324 87 C C -1.047 174.025 174.990 0.137 0.000 1.428 87 C CA -0.864 58.200 59.018 0.077 0.000 1.368 87 C CB 0.306 28.054 27.740 0.014 0.000 1.731 87 C HN 0.772 nan 8.230 nan 0.000 0.455 88 I N 1.635 122.322 120.570 0.195 0.000 2.533 88 I HA 0.603 4.775 4.170 0.003 0.000 0.290 88 I C -0.879 175.352 176.117 0.190 0.000 1.056 88 I CA -0.489 60.977 61.300 0.277 0.000 1.057 88 I CB 1.822 40.030 38.000 0.347 0.000 1.240 88 I HN 0.615 nan 8.210 nan 0.000 0.423 89 L N 5.085 126.428 121.223 0.199 0.000 2.371 89 L HA 0.628 4.970 4.340 0.003 0.000 0.262 89 L C -0.624 176.423 176.870 0.295 0.000 1.006 89 L CA -0.648 54.309 54.840 0.195 0.000 0.818 89 L CB 2.621 44.775 42.059 0.158 0.000 1.354 89 L HN 0.538 nan 8.230 nan 0.000 0.415 90 E N 0.650 120.983 120.200 0.222 0.000 2.272 90 E HA 0.253 4.604 4.350 0.003 0.000 0.269 90 E C -1.949 174.640 176.600 -0.018 0.000 0.877 90 E CA -0.740 55.706 56.400 0.077 0.000 0.755 90 E CB 2.482 32.181 29.700 -0.000 0.000 1.192 90 E HN 0.441 nan 8.360 nan 0.000 0.422 91 Y N 3.532 123.483 120.300 -0.583 0.000 2.404 91 Y HA 0.274 4.826 4.550 0.003 0.000 0.344 91 Y C -0.679 175.033 175.900 -0.312 0.000 0.995 91 Y CA -0.366 57.400 58.100 -0.556 0.000 1.201 91 Y CB 0.600 38.457 38.460 -1.004 0.000 1.151 91 Y HN 0.331 nan 8.280 nan 0.000 0.517 92 K N 5.211 125.276 120.400 -0.558 0.000 2.425 92 K HA 0.263 4.585 4.320 0.003 0.000 0.259 92 K C -1.092 175.153 176.600 -0.592 0.000 0.978 92 K CA -0.671 55.335 56.287 -0.468 0.000 0.883 92 K CB 0.810 33.165 32.500 -0.241 0.000 1.110 92 K HN 0.682 nan 8.250 nan 0.000 0.436 93 Q N 3.012 122.486 119.800 -0.544 0.000 2.569 93 Q HA 0.205 4.547 4.340 0.003 0.000 0.226 93 Q C -1.002 174.864 176.000 -0.223 0.000 1.136 93 Q CA -0.250 55.310 55.803 -0.405 0.000 0.947 93 Q CB 0.724 29.246 28.738 -0.360 0.000 1.218 93 Q HN 0.524 nan 8.270 nan 0.000 0.547 94 S N 3.743 119.336 115.700 -0.180 0.000 3.806 94 S HA 0.134 4.606 4.470 0.003 0.000 0.218 94 S C 1.314 175.859 174.600 -0.092 0.000 1.146 94 S CA 0.346 58.475 58.200 -0.118 0.000 1.030 94 S CB -0.690 62.452 63.200 -0.097 0.000 1.617 94 S HN 1.016 nan 8.310 nan 0.000 0.487 95 G N 2.930 111.676 108.800 -0.091 0.000 4.728 95 G HA2 -0.424 3.538 3.960 0.003 0.000 0.233 95 G HA3 -0.424 3.538 3.960 0.003 0.000 0.233 95 G C 0.964 175.831 174.900 -0.055 0.000 1.486 95 G CA 0.952 46.013 45.100 -0.065 0.000 1.349 95 G HN 0.682 nan 8.290 nan 0.000 0.779 96 E N 0.209 120.380 120.200 -0.048 0.000 2.541 96 E HA 0.389 4.741 4.350 0.003 0.000 0.219 96 E C 0.855 177.436 176.600 -0.031 0.000 0.922 96 E CA 0.877 57.260 56.400 -0.029 0.000 1.095 96 E CB 0.058 29.749 29.700 -0.015 0.000 1.112 96 E HN 0.428 nan 8.360 nan 0.000 0.516 97 S N 1.637 117.305 115.700 -0.053 0.000 2.651 97 S HA 0.675 5.147 4.470 0.003 0.000 0.291 97 S C 0.129 174.671 174.600 -0.097 0.000 1.141 97 S CA -0.762 57.403 58.200 -0.058 0.000 1.027 97 S CB 0.922 64.088 63.200 -0.058 0.000 1.043 97 S HN 0.343 nan 8.310 nan 0.000 0.530 98 I N 0.010 120.530 120.570 -0.084 0.000 2.730 98 I HA 0.685 4.857 4.170 0.003 0.000 0.298 98 I C -1.193 174.871 176.117 -0.089 0.000 1.089 98 I CA -0.633 60.589 61.300 -0.131 0.000 1.041 98 I CB 2.069 40.051 38.000 -0.030 0.000 1.235 98 I HN 0.415 nan 8.210 nan 0.000 0.423 99 D N 5.044 125.363 120.400 -0.136 0.000 2.947 99 D HA 0.499 5.141 4.640 0.003 0.000 0.224 99 D C -1.054 175.234 176.300 -0.020 0.000 1.230 99 D CA -0.175 53.784 54.000 -0.069 0.000 0.871 99 D CB 3.318 44.063 40.800 -0.091 0.000 1.671 99 D HN 0.471 nan 8.370 nan 0.000 0.507 100 I N 2.821 123.420 120.570 0.049 0.000 2.307 100 I HA 0.354 4.526 4.170 0.003 0.000 0.289 100 I C 0.182 176.320 176.117 0.034 0.000 1.021 100 I CA -0.408 60.954 61.300 0.105 0.000 1.224 100 I CB 1.461 39.550 38.000 0.147 0.000 1.376 100 I HN 0.184 nan 8.210 nan 0.000 0.470 101 I N 5.251 125.838 120.570 0.028 0.000 2.437 101 I HA 0.302 4.474 4.170 0.003 0.000 0.298 101 I C -0.044 176.087 176.117 0.023 0.000 0.984 101 I CA -0.189 61.111 61.300 0.001 0.000 1.214 101 I CB 1.495 39.484 38.000 -0.019 0.000 1.365 101 I HN 0.464 nan 8.210 nan 0.000 0.469 102 T N 7.098 121.654 114.554 0.003 0.000 2.727 102 T HA 0.302 4.654 4.350 0.003 0.000 0.298 102 T C 1.134 175.868 174.700 0.058 0.000 0.942 102 T CA -0.546 61.567 62.100 0.022 0.000 0.997 102 T CB 0.745 69.587 68.868 -0.043 0.000 0.917 102 T HN 0.507 nan 8.240 nan 0.000 0.487 103 R N 1.581 122.134 120.500 0.088 0.000 2.161 103 R HA 0.351 4.693 4.340 0.003 0.000 0.213 103 R C 0.737 177.110 176.300 0.122 0.000 1.055 103 R CA 0.248 56.405 56.100 0.094 0.000 0.996 103 R CB 0.092 30.450 30.300 0.095 0.000 0.901 103 R HN 0.698 nan 8.270 nan 0.000 0.456 104 A N 0.572 123.489 122.820 0.161 0.000 2.601 104 A HA 0.584 4.906 4.320 0.003 0.000 0.291 104 A C -1.344 176.394 177.584 0.256 0.000 1.075 104 A CA -0.764 51.379 52.037 0.177 0.000 0.671 104 A CB 1.450 20.533 19.000 0.138 0.000 1.277 104 A HN 0.433 nan 8.150 nan 0.000 0.417 105 H N -0.792 118.305 119.070 0.044 0.000 3.005 105 H HA 0.695 5.253 4.556 0.003 0.000 0.311 105 H C -0.663 174.671 175.328 0.010 0.000 1.366 105 H CA -0.271 55.794 56.048 0.027 0.000 1.210 105 H CB 0.927 30.690 29.762 0.001 0.000 1.894 105 H HN 2.236 nan 8.280 nan 0.000 0.520 106 G N 0.969 109.750 108.800 -0.032 0.000 2.355 106 G HA2 0.118 4.080 3.960 0.003 0.000 0.296 106 G HA3 0.118 4.080 3.960 0.003 0.000 0.296 106 G C -1.881 173.003 174.900 -0.027 0.000 1.507 106 G CA -0.944 44.087 45.100 -0.115 0.000 0.823 106 G HN 0.697 nan 8.290 nan 0.000 0.569 107 N N 0.190 118.854 118.700 -0.061 0.000 2.419 107 N HA 0.290 5.032 4.740 0.003 0.000 0.264 107 N C 1.128 176.641 175.510 0.004 0.000 1.031 107 N CA 0.089 53.115 53.050 -0.040 0.000 0.951 107 N CB 1.800 40.205 38.487 -0.137 0.000 1.101 107 N HN 0.883 nan 8.380 nan 0.000 0.488 108 V N 1.152 121.104 119.914 0.064 0.000 3.542 108 V HA 0.146 4.268 4.120 0.003 0.000 0.296 108 V C 0.806 176.941 176.094 0.070 0.000 1.364 108 V CA -0.337 62.000 62.300 0.061 0.000 1.118 108 V CB -0.910 30.952 31.823 0.066 0.000 0.972 108 V HN 0.678 nan 8.190 nan 0.000 0.430 109 Q N 0.754 120.588 119.800 0.057 0.000 2.474 109 Q HA 0.354 4.696 4.340 0.003 0.000 0.256 109 Q C -1.079 174.893 176.000 -0.047 0.000 1.048 109 Q CA 0.303 56.014 55.803 -0.154 0.000 0.922 109 Q CB 0.314 28.919 28.738 -0.222 0.000 1.288 109 Q HN 0.436 nan 8.270 nan 0.000 0.484 110 D N 0.308 120.682 120.400 -0.043 0.000 2.649 110 D HA 0.211 4.853 4.640 0.003 0.000 0.249 110 D C 0.052 176.218 176.300 -0.223 0.000 1.112 110 D CA -0.738 53.197 54.000 -0.108 0.000 0.850 110 D CB 1.721 42.456 40.800 -0.108 0.000 1.399 110 D HN 0.559 nan 8.370 nan 0.000 0.503 111 R N 1.003 121.416 120.500 -0.145 0.000 2.119 111 R HA -0.071 4.271 4.340 0.003 0.000 0.246 111 R C 0.498 176.669 176.300 -0.214 0.000 1.146 111 R CA 1.037 57.055 56.100 -0.136 0.000 0.962 111 R CB -0.297 29.955 30.300 -0.079 0.000 0.863 111 R HN 0.439 nan 8.270 nan 0.000 0.442 112 I N 0.010 120.434 120.570 -0.243 0.000 2.588 112 I HA 0.274 4.446 4.170 0.003 0.000 0.283 112 I C 0.486 176.269 176.117 -0.556 0.000 1.119 112 I CA 1.248 62.379 61.300 -0.282 0.000 1.419 112 I CB 0.990 38.876 38.000 -0.189 0.000 1.394 112 I HN 0.474 nan 8.210 nan 0.000 0.562 113 G N 5.230 113.743 108.800 -0.479 0.000 2.841 113 G HA2 -0.051 3.911 3.960 0.003 0.000 0.684 113 G HA3 -0.051 3.911 3.960 0.003 0.000 0.684 113 G C -0.818 173.841 174.900 -0.401 0.000 1.273 113 G CA -1.026 43.693 45.100 -0.636 0.000 0.811 113 G HN 0.709 nan 8.290 nan 0.000 0.631 114 R N 3.048 123.524 120.500 -0.040 0.000 2.255 114 R HA 0.571 4.913 4.340 0.003 0.000 0.326 114 R C -2.385 174.089 176.300 0.289 0.000 0.986 114 R CA -1.918 54.246 56.100 0.107 0.000 0.847 114 R CB 1.147 31.480 30.300 0.056 0.000 1.111 114 R HN 0.291 nan 8.270 nan 0.000 0.452 115 P HA -0.040 nan 4.420 nan 0.000 0.264 115 P C -0.258 177.124 177.300 0.136 0.000 1.193 115 P CA 0.120 63.390 63.100 0.283 0.000 0.763 115 P CB 1.167 33.021 31.700 0.256 0.000 0.810 116 S N 2.267 118.010 115.700 0.072 0.000 2.477 116 S HA 0.259 4.731 4.470 0.003 0.000 0.261 116 S C 0.173 174.755 174.600 -0.031 0.000 1.197 116 S CA -0.269 57.944 58.200 0.022 0.000 1.015 116 S CB 0.099 63.303 63.200 0.007 0.000 1.077 116 S HN 0.309 nan 8.310 nan 0.000 0.505 117 E N 0.131 120.263 120.200 -0.113 0.000 2.115 117 E HA 0.436 4.788 4.350 0.003 0.000 0.282 117 E C -0.398 176.155 176.600 -0.078 0.000 0.987 117 E CA 0.223 56.531 56.400 -0.154 0.000 0.797 117 E CB -0.112 29.307 29.700 -0.468 0.000 1.086 117 E HN 0.779 nan 8.360 nan 0.000 0.397 118 T N 2.026 116.567 114.554 -0.021 0.000 5.395 118 T HA -0.077 4.275 4.350 0.003 0.000 0.267 118 T C 0.615 175.315 174.700 -0.000 0.000 2.215 118 T CA 0.535 62.638 62.100 0.006 0.000 3.789 118 T CB -1.989 66.894 68.868 0.026 0.000 0.413 118 T HN 1.293 nan 8.240 nan 0.000 1.090 119 G N 0.738 109.532 108.800 -0.010 0.000 2.750 119 G HA2 -0.141 3.821 3.960 0.003 0.000 0.228 119 G HA3 -0.141 3.821 3.960 0.003 0.000 0.228 119 G C -0.174 174.703 174.900 -0.038 0.000 1.367 119 G CA -0.451 44.639 45.100 -0.017 0.000 0.871 119 G HN 0.921 nan 8.290 nan 0.000 0.560 120 I N 0.295 120.824 120.570 -0.068 0.000 2.815 120 I HA 0.268 4.440 4.170 0.003 0.000 0.291 120 I C 0.860 176.946 176.117 -0.051 0.000 1.209 120 I CA 0.860 62.105 61.300 -0.091 0.000 1.431 120 I CB 0.170 38.080 38.000 -0.149 0.000 1.351 120 I HN 0.414 nan 8.210 nan 0.000 0.585 121 I N 4.624 125.171 120.570 -0.040 0.000 2.571 121 I HA 0.444 4.616 4.170 0.003 0.000 0.289 121 I C -0.068 176.049 176.117 -0.001 0.000 1.115 121 I CA -0.446 60.852 61.300 -0.004 0.000 1.045 121 I CB 2.069 40.077 38.000 0.013 0.000 1.238 121 I HN 0.615 nan 8.210 nan 0.000 0.424 122 G N 7.551 116.379 108.800 0.046 0.000 2.644 122 G HA2 0.746 4.708 3.960 0.003 0.000 0.300 122 G HA3 0.746 4.708 3.960 0.003 0.000 0.300 122 G C -0.812 174.138 174.900 0.084 0.000 1.395 122 G CA -0.400 44.755 45.100 0.092 0.000 0.964 122 G HN 0.611 nan 8.290 nan 0.000 0.511 123 I N -0.607 119.981 120.570 0.031 0.000 3.067 123 I HA 0.788 4.960 4.170 0.003 0.000 0.312 123 I C -1.159 175.034 176.117 0.128 0.000 1.073 123 I CA -1.711 59.644 61.300 0.093 0.000 1.016 123 I CB 2.709 40.749 38.000 0.068 0.000 1.227 123 I HN 0.243 nan 8.210 nan 0.000 0.456 124 I N 1.867 122.555 120.570 0.196 0.000 2.571 124 I HA 0.197 4.369 4.170 0.003 0.000 0.289 124 I C -1.004 175.109 176.117 -0.006 0.000 1.115 124 I CA -0.418 60.895 61.300 0.022 0.000 1.045 124 I CB 2.208 40.093 38.000 -0.191 0.000 1.238 124 I HN 0.709 nan 8.210 nan 0.000 0.424 125 D N 7.976 128.095 120.400 -0.470 0.000 2.488 125 D HA 0.061 4.703 4.640 0.003 0.000 0.238 125 D C -1.599 174.508 176.300 -0.321 0.000 1.138 125 D CA -0.701 52.839 54.000 -0.766 0.000 0.873 125 D CB 1.252 41.439 40.800 -1.022 0.000 1.183 125 D HN 0.198 nan 8.370 nan 0.000 0.458 126 P HA -0.193 nan 4.420 nan 0.000 0.216 126 P C 0.522 177.807 177.300 -0.026 0.000 1.157 126 P CA 1.429 64.461 63.100 -0.114 0.000 0.880 126 P CB 0.087 31.687 31.700 -0.166 0.000 0.791 127 E N -2.569 117.587 120.200 -0.073 0.000 2.478 127 E HA -0.035 4.317 4.350 0.003 0.000 0.198 127 E C 0.279 176.861 176.600 -0.029 0.000 1.046 127 E CA 0.209 56.593 56.400 -0.027 0.000 0.870 127 E CB -0.401 29.279 29.700 -0.034 0.000 0.818 127 E HN 0.110 nan 8.360 nan 0.000 0.527 128 C N 0.378 119.630 119.300 -0.080 0.000 4.475 128 C HA -0.162 4.300 4.460 0.003 0.000 0.280 128 C C 1.688 176.622 174.990 -0.093 0.000 1.338 128 C CA 0.038 59.019 59.018 -0.062 0.000 1.893 128 C CB -1.692 26.105 27.740 0.095 0.000 1.299 128 C HN 0.481 nan 8.230 nan 0.000 0.767 129 R N -0.029 120.389 120.500 -0.138 0.000 2.148 129 R HA 0.009 4.351 4.340 0.003 0.000 0.227 129 R C 0.838 177.064 176.300 -0.122 0.000 1.103 129 R CA 1.797 57.834 56.100 -0.105 0.000 0.983 129 R CB -0.087 30.153 30.300 -0.100 0.000 0.874 129 R HN 0.887 nan 8.270 nan 0.000 0.451 130 M N -2.230 117.244 119.600 -0.210 0.000 3.419 130 M HA 0.443 4.925 4.480 0.003 0.000 0.287 130 M C -1.588 174.543 176.300 -0.281 0.000 1.333 130 M CA -0.767 54.415 55.300 -0.197 0.000 0.843 130 M CB 1.941 34.483 32.600 -0.097 0.000 1.686 130 M HN -0.280 nan 8.290 nan 0.000 0.491 131 I N 0.890 121.300 120.570 -0.268 0.000 2.465 131 I HA 0.654 4.826 4.170 0.003 0.000 0.291 131 I C -0.164 175.856 176.117 -0.161 0.000 1.014 131 I CA -0.899 60.207 61.300 -0.323 0.000 1.093 131 I CB 2.157 39.758 38.000 -0.664 0.000 1.267 131 I HN 0.893 nan 8.210 nan 0.000 0.431 132 G N 6.359 115.157 108.800 -0.003 0.000 2.368 132 G HA2 0.647 4.609 3.960 0.003 0.000 0.320 132 G HA3 0.647 4.609 3.960 0.003 0.000 0.320 132 G C -1.170 173.523 174.900 -0.346 0.000 1.158 132 G CA -0.265 44.745 45.100 -0.151 0.000 0.912 132 G HN 0.235 nan 8.290 nan 0.000 0.456 133 L N 1.719 122.557 121.223 -0.641 0.000 2.330 133 L HA 0.678 5.020 4.340 0.003 0.000 0.271 133 L C 0.155 176.697 176.870 -0.547 0.000 1.013 133 L CA -1.000 53.578 54.840 -0.436 0.000 0.816 133 L CB 2.050 43.929 42.059 -0.300 0.000 1.287 133 L HN 0.410 nan 8.230 nan 0.000 0.435 134 R N 3.058 123.411 120.500 -0.244 0.000 2.487 134 R HA 0.293 4.635 4.340 0.003 0.000 0.288 134 R C -0.531 175.677 176.300 -0.153 0.000 1.394 134 R CA -0.321 55.697 56.100 -0.137 0.000 1.155 134 R CB 0.657 30.957 30.300 -0.001 0.000 1.156 134 R HN 0.505 nan 8.270 nan 0.000 0.553 135 L N 2.495 123.566 121.223 -0.255 0.000 2.298 135 L HA 0.262 4.604 4.340 0.003 0.000 0.209 135 L C 0.146 176.639 176.870 -0.628 0.000 1.084 135 L CA 1.055 55.610 54.840 -0.474 0.000 0.816 135 L CB -0.566 41.073 42.059 -0.699 0.000 0.967 135 L HN 0.393 nan 8.230 nan 0.000 0.460 136 Y N -1.200 119.121 120.300 0.035 0.000 2.576 136 Y HA 0.349 4.901 4.550 0.003 0.000 0.346 136 Y C 0.135 176.046 175.900 0.019 0.000 1.018 136 Y CA -1.614 56.500 58.100 0.023 0.000 1.050 136 Y CB 1.042 39.499 38.460 -0.005 0.000 1.280 136 Y HN -0.132 nan 8.280 nan 0.000 0.474 137 D N 0.681 121.197 120.400 0.193 0.000 2.424 137 D HA 0.285 4.927 4.640 0.003 0.000 0.244 137 D C 1.057 177.423 176.300 0.111 0.000 1.134 137 D CA 1.872 55.940 54.000 0.114 0.000 0.881 137 D CB 1.247 42.098 40.800 0.085 0.000 1.191 137 D HN 0.890 nan 8.370 nan 0.000 0.445 138 G N 1.728 110.583 108.800 0.092 0.000 2.320 138 G HA2 -0.257 3.705 3.960 0.003 0.000 0.242 138 G HA3 -0.257 3.705 3.960 0.003 0.000 0.242 138 G C 0.364 175.314 174.900 0.082 0.000 1.033 138 G CA 0.059 45.203 45.100 0.074 0.000 0.620 138 G HN 0.460 nan 8.290 nan 0.000 0.517 139 L N -0.470 120.821 121.223 0.114 0.000 2.352 139 L HA 0.844 5.186 4.340 0.003 0.000 0.269 139 L C -0.327 176.643 176.870 0.168 0.000 1.034 139 L CA -1.148 53.761 54.840 0.115 0.000 0.806 139 L CB 1.572 43.708 42.059 0.127 0.000 1.244 139 L HN 0.142 nan 8.230 nan 0.000 0.447 140 F N 1.960 121.882 119.950 -0.047 0.000 2.671 140 F HA 0.384 4.913 4.527 0.003 0.000 0.332 140 F C -0.393 175.325 175.800 -0.138 0.000 1.189 140 F CA -0.934 57.024 58.000 -0.070 0.000 0.988 140 F CB 1.224 40.219 39.000 -0.008 0.000 1.258 140 F HN 0.245 nan 8.300 nan 0.000 0.471 141 K N 4.718 124.766 120.400 -0.587 0.000 2.172 141 K HA 0.726 5.048 4.320 0.003 0.000 0.276 141 K C -1.834 174.344 176.600 -0.704 0.000 1.013 141 K CA -0.344 55.645 56.287 -0.496 0.000 0.913 141 K CB 1.416 33.736 32.500 -0.301 0.000 1.055 141 K HN 0.445 nan 8.250 nan 0.000 0.461 142 V N 6.372 125.853 119.914 -0.722 0.000 2.487 142 V HA 0.431 4.553 4.120 0.003 0.000 0.298 142 V C -0.483 175.299 176.094 -0.520 0.000 1.028 142 V CA -0.740 61.157 62.300 -0.671 0.000 0.860 142 V CB 1.498 32.780 31.823 -0.903 0.000 0.991 142 V HN 0.713 nan 8.190 nan 0.000 0.427 143 I N 7.154 127.536 120.570 -0.314 0.000 2.330 143 I HA 0.347 4.519 4.170 0.003 0.000 0.286 143 I C -2.464 173.570 176.117 -0.138 0.000 1.025 143 I CA -1.959 59.224 61.300 -0.195 0.000 1.197 143 I CB 1.941 39.833 38.000 -0.179 0.000 1.358 143 I HN 0.409 nan 8.210 nan 0.000 0.467 144 P HA 0.168 nan 4.420 nan 0.000 0.271 144 P C -0.659 176.629 177.300 -0.020 0.000 1.233 144 P CA -0.131 62.976 63.100 0.012 0.000 0.764 144 P CB 0.446 32.211 31.700 0.108 0.000 0.825 145 L N 4.292 125.486 121.223 -0.047 0.000 2.313 145 L HA 0.337 4.679 4.340 0.003 0.000 0.282 145 L C 0.440 177.316 176.870 0.011 0.000 1.092 145 L CA 0.582 55.406 54.840 -0.027 0.000 0.831 145 L CB 0.179 42.206 42.059 -0.053 0.000 1.159 145 L HN 0.365 nan 8.230 nan 0.000 0.442 146 D N 0.220 120.636 120.400 0.028 0.000 2.596 146 D HA 0.306 4.948 4.640 0.003 0.000 0.262 146 D C 0.346 176.670 176.300 0.040 0.000 1.210 146 D CA -0.818 53.201 54.000 0.031 0.000 0.873 146 D CB 1.468 42.283 40.800 0.024 0.000 1.408 146 D HN 0.143 nan 8.370 nan 0.000 0.441 147 R N 0.631 121.152 120.500 0.035 0.000 2.092 147 R HA -0.038 4.304 4.340 0.003 0.000 0.231 147 R C 0.308 176.629 176.300 0.035 0.000 1.119 147 R CA 1.417 57.539 56.100 0.037 0.000 0.970 147 R CB -0.228 30.088 30.300 0.027 0.000 0.864 147 R HN 0.601 nan 8.270 nan 0.000 0.440 148 D N -0.245 120.172 120.400 0.027 0.000 1.992 148 D HA -0.134 4.508 4.640 0.003 0.000 0.304 148 D C 0.593 176.909 176.300 0.026 0.000 1.099 148 D CA -0.301 53.713 54.000 0.023 0.000 0.846 148 D CB -0.840 39.969 40.800 0.015 0.000 1.011 148 D HN -0.084 nan 8.370 nan 0.000 0.336 149 N N 0.481 119.191 118.700 0.017 0.000 2.693 149 N HA -0.206 4.536 4.740 0.003 0.000 0.250 149 N C 0.424 175.943 175.510 0.014 0.000 1.033 149 N CA 0.285 53.342 53.050 0.013 0.000 0.747 149 N CB -0.668 37.829 38.487 0.017 0.000 0.964 149 N HN 0.309 nan 8.380 nan 0.000 0.540 150 K N -0.126 120.281 120.400 0.012 0.000 2.442 150 K HA -0.086 4.236 4.320 0.003 0.000 0.198 150 K C 0.693 177.276 176.600 -0.028 0.000 1.044 150 K CA 1.021 57.320 56.287 0.020 0.000 0.948 150 K CB 0.101 32.618 32.500 0.028 0.000 0.762 150 K HN 0.551 nan 8.250 nan 0.000 0.472 151 E N 0.421 120.581 120.200 -0.067 0.000 2.498 151 E HA 0.106 4.458 4.350 0.003 0.000 0.203 151 E C -0.403 176.139 176.600 -0.098 0.000 1.013 151 E CA -0.164 56.145 56.400 -0.151 0.000 0.927 151 E CB 0.148 29.769 29.700 -0.133 0.000 1.012 151 E HN 0.112 nan 8.360 nan 0.000 0.482 152 L N 2.164 123.366 121.223 -0.035 0.000 3.823 152 L HA -0.243 4.099 4.340 0.003 0.000 0.525 152 L C -0.213 176.645 176.870 -0.019 0.000 1.247 152 L CA 0.571 55.406 54.840 -0.009 0.000 0.776 152 L CB -1.176 40.900 42.059 0.028 0.000 1.443 152 L HN 0.062 nan 8.230 nan 0.000 0.831 153 K N 1.216 121.609 120.400 -0.012 0.000 2.258 153 K HA 0.777 5.099 4.320 0.003 0.000 0.264 153 K C 0.408 177.016 176.600 0.013 0.000 1.007 153 K CA 0.428 56.714 56.287 -0.000 0.000 0.941 153 K CB 1.558 34.064 32.500 0.009 0.000 0.966 153 K HN 0.409 nan 8.250 nan 0.000 0.480 154 A N 2.034 124.866 122.820 0.019 0.000 2.594 154 A HA 0.697 5.019 4.320 0.003 0.000 0.295 154 A C -1.229 176.388 177.584 0.056 0.000 1.071 154 A CA -0.956 51.072 52.037 -0.015 0.000 0.685 154 A CB 0.860 19.794 19.000 -0.111 0.000 1.285 154 A HN 0.594 nan 8.150 nan 0.000 0.405 155 F N 0.449 120.367 119.950 -0.053 0.000 2.507 155 F HA 0.739 5.268 4.527 0.003 0.000 0.327 155 F C -0.197 175.564 175.800 -0.066 0.000 1.068 155 F CA -1.166 56.800 58.000 -0.056 0.000 0.965 155 F CB 1.335 40.301 39.000 -0.056 0.000 1.192 155 F HN 0.396 nan 8.300 nan 0.000 0.476 156 N N 2.118 120.852 118.700 0.057 0.000 2.473 156 N HA 0.533 5.275 4.740 0.003 0.000 0.291 156 N C -1.007 174.534 175.510 0.051 0.000 1.083 156 N CA -0.317 52.720 53.050 -0.021 0.000 0.951 156 N CB 2.122 40.607 38.487 -0.002 0.000 1.164 156 N HN 0.609 nan 8.380 nan 0.000 0.480 157 I N 0.903 121.449 120.570 -0.040 0.000 2.603 157 I HA 0.333 4.505 4.170 0.003 0.000 0.300 157 I C 0.823 176.848 176.117 -0.153 0.000 1.017 157 I CA -0.866 60.336 61.300 -0.165 0.000 1.098 157 I CB 2.148 39.839 38.000 -0.515 0.000 1.279 157 I HN 0.174 nan 8.210 nan 0.000 0.437 158 R N 4.980 125.390 120.500 -0.151 0.000 2.442 158 R HA 0.350 4.692 4.340 0.003 0.000 0.291 158 R C -1.138 175.143 176.300 -0.033 0.000 1.069 158 R CA -0.255 55.804 56.100 -0.068 0.000 1.022 158 R CB 0.580 30.848 30.300 -0.052 0.000 0.976 158 R HN 0.554 nan 8.270 nan 0.000 0.443 159 L N 4.313 125.562 121.223 0.043 0.000 2.295 159 L HA 0.146 4.488 4.340 0.003 0.000 0.281 159 L C 0.963 177.866 176.870 0.055 0.000 1.018 159 L CA -0.279 54.617 54.840 0.094 0.000 0.841 159 L CB 1.414 43.532 42.059 0.099 0.000 1.218 159 L HN 0.734 nan 8.230 nan 0.000 0.424 160 E N 2.208 122.440 120.200 0.054 0.000 2.097 160 E HA -0.195 4.157 4.350 0.003 0.000 0.196 160 E C -0.096 176.516 176.600 0.021 0.000 1.000 160 E CA 1.426 57.848 56.400 0.037 0.000 0.804 160 E CB 0.196 29.925 29.700 0.050 0.000 0.740 160 E HN 0.524 nan 8.360 nan 0.000 0.454 161 E N 0.172 120.373 120.200 0.002 0.000 2.052 161 E HA 0.103 4.455 4.350 0.003 0.000 0.283 161 E C 0.365 177.014 176.600 0.082 0.000 1.071 161 E CA 0.023 56.408 56.400 -0.025 0.000 0.851 161 E CB 0.728 30.286 29.700 -0.236 0.000 1.066 161 E HN 0.173 nan 8.360 nan 0.000 0.396 162 L N 2.398 123.694 121.223 0.122 0.000 2.622 162 L HA -0.040 4.302 4.340 0.003 0.000 0.233 162 L C 0.502 177.494 176.870 0.203 0.000 1.156 162 L CA 0.801 55.724 54.840 0.140 0.000 0.866 162 L CB 0.009 42.146 42.059 0.130 0.000 0.980 162 L HN 0.613 nan 8.230 nan 0.000 0.448 163 H N -0.144 119.023 119.070 0.162 0.000 2.596 163 H HA 0.244 4.802 4.556 0.003 0.000 0.240 163 H C -1.328 174.149 175.328 0.249 0.000 1.406 163 H CA -0.255 55.902 56.048 0.181 0.000 1.504 163 H CB 0.565 30.428 29.762 0.167 0.000 1.688 163 H HN -0.265 nan 8.280 nan 0.000 0.546 164 V N 5.432 125.496 119.914 0.250 0.000 2.432 164 V HA 0.071 4.193 4.120 0.003 0.000 0.275 164 V C 1.375 177.601 176.094 0.220 0.000 1.043 164 V CA -0.184 62.312 62.300 0.328 0.000 0.925 164 V CB 1.224 33.173 31.823 0.211 0.000 0.985 164 V HN 0.509 nan 8.190 nan 0.000 0.466 165 I N 2.821 123.555 120.570 0.273 0.000 2.235 165 I HA 0.053 4.225 4.170 0.003 0.000 0.241 165 I C 0.804 177.003 176.117 0.136 0.000 1.085 165 I CA 1.446 62.856 61.300 0.183 0.000 1.378 165 I CB 0.083 38.182 38.000 0.165 0.000 1.076 165 I HN 0.764 nan 8.210 nan 0.000 0.415 166 D N -1.599 118.895 120.400 0.156 0.000 2.609 166 D HA 0.575 5.217 4.640 0.003 0.000 0.239 166 D C -1.475 174.916 176.300 0.151 0.000 1.229 166 D CA -0.304 53.771 54.000 0.126 0.000 0.808 166 D CB 1.984 42.849 40.800 0.107 0.000 1.448 166 D HN -0.213 nan 8.370 nan 0.000 0.433 167 V N 1.085 121.064 119.914 0.108 0.000 3.012 167 V HA 0.698 4.820 4.120 0.003 0.000 0.307 167 V C -0.614 175.496 176.094 0.027 0.000 1.166 167 V CA -0.944 61.402 62.300 0.076 0.000 0.974 167 V CB 2.173 34.000 31.823 0.006 0.000 1.040 167 V HN 0.473 nan 8.190 nan 0.000 0.428 168 K N 1.366 121.759 120.400 -0.012 0.000 2.512 168 K HA 0.618 4.940 4.320 0.003 0.000 0.263 168 K C -1.488 175.047 176.600 -0.108 0.000 0.966 168 K CA -0.573 55.705 56.287 -0.014 0.000 0.851 168 K CB 2.830 35.377 32.500 0.078 0.000 1.395 168 K HN 0.563 nan 8.250 nan 0.000 0.440 169 F N 1.611 121.558 119.950 -0.005 0.000 2.427 169 F HA 0.236 4.765 4.527 0.003 0.000 0.352 169 F C 1.080 176.813 175.800 -0.112 0.000 1.100 169 F CA -0.604 57.357 58.000 -0.065 0.000 1.191 169 F CB 0.561 39.501 39.000 -0.100 0.000 1.128 169 F HN 0.129 nan 8.300 nan 0.000 0.533 170 L N 3.764 125.074 121.223 0.146 0.000 2.464 170 L HA 0.123 4.465 4.340 0.003 0.000 0.264 170 L C -0.501 176.400 176.870 0.052 0.000 1.199 170 L CA -0.087 54.829 54.840 0.127 0.000 0.818 170 L CB 0.415 42.544 42.059 0.117 0.000 1.102 170 L HN 0.509 nan 8.230 nan 0.000 0.473 171 Y N -0.620 119.798 120.300 0.197 0.000 2.453 171 Y HA 0.408 4.960 4.550 0.003 0.000 0.326 171 Y C 1.058 177.058 175.900 0.167 0.000 1.186 171 Y CA 0.049 58.251 58.100 0.170 0.000 1.200 171 Y CB 1.680 40.248 38.460 0.179 0.000 1.247 171 Y HN 0.697 nan 8.280 nan 0.000 0.482 172 G N 0.715 109.719 108.800 0.341 0.000 2.323 172 G HA2 -0.273 3.689 3.960 0.003 0.000 0.292 172 G HA3 -0.273 3.689 3.960 0.003 0.000 0.292 172 G C -0.713 174.297 174.900 0.183 0.000 1.040 172 G CA -0.002 45.237 45.100 0.232 0.000 0.942 172 G HN 0.606 nan 8.290 nan 0.000 0.506 173 C N 0.521 119.906 119.300 0.142 0.000 2.322 173 C HA 0.489 4.951 4.460 0.003 0.000 0.324 173 C C 1.667 176.698 174.990 0.068 0.000 1.284 173 C CA -0.864 58.215 59.018 0.101 0.000 1.606 173 C CB 1.595 29.381 27.740 0.076 0.000 2.251 173 C HN 0.644 nan 8.230 nan 0.000 0.502 174 Q N 2.168 122.007 119.800 0.065 0.000 1.948 174 Q HA -0.086 4.256 4.340 0.003 0.000 0.205 174 Q C 1.132 177.153 176.000 0.036 0.000 0.992 174 Q CA 1.381 57.214 55.803 0.049 0.000 0.849 174 Q CB -0.763 28.004 28.738 0.049 0.000 0.918 174 Q HN 0.878 nan 8.270 nan 0.000 0.421 175 A N 2.596 125.439 122.820 0.038 0.000 2.401 175 A HA 0.355 4.677 4.320 0.003 0.000 0.259 175 A C -2.171 175.436 177.584 0.038 0.000 1.103 175 A CA -1.349 50.711 52.037 0.038 0.000 0.789 175 A CB -0.202 18.828 19.000 0.049 0.000 1.035 175 A HN 0.008 nan 8.150 nan 0.000 0.491 176 P HA 0.019 nan 4.420 nan 0.000 0.255 176 P C -0.383 177.014 177.300 0.163 0.000 1.151 176 P CA 1.167 64.280 63.100 0.023 0.000 0.767 176 P CB 0.205 31.915 31.700 0.015 0.000 0.736 177 T N 4.424 119.106 114.554 0.214 0.000 2.886 177 T HA 0.650 5.002 4.350 0.003 0.000 0.292 177 T C 0.151 174.965 174.700 0.190 0.000 1.012 177 T CA -0.511 61.670 62.100 0.135 0.000 0.982 177 T CB 0.701 69.560 68.868 -0.016 0.000 1.018 177 T HN 0.211 nan 8.240 nan 0.000 0.451 178 I N -0.546 119.994 120.570 -0.052 0.000 2.648 178 I HA 0.876 5.048 4.170 0.003 0.000 0.304 178 I C -0.484 175.520 176.117 -0.188 0.000 1.009 178 I CA -0.862 60.299 61.300 -0.232 0.000 1.114 178 I CB 1.663 39.364 38.000 -0.497 0.000 1.293 178 I HN 0.645 nan 8.210 nan 0.000 0.449 179 C N 6.735 125.969 119.300 -0.110 0.000 2.396 179 C HA 0.863 5.325 4.460 0.003 0.000 0.321 179 C C -0.632 174.404 174.990 0.076 0.000 1.233 179 C CA -0.628 58.348 59.018 -0.071 0.000 1.440 179 C CB 0.462 28.178 27.740 -0.039 0.000 2.110 179 C HN 0.829 nan 8.230 nan 0.000 0.473 180 F N 4.074 123.925 119.950 -0.165 0.000 2.613 180 F HA 0.835 5.364 4.527 0.003 0.000 0.310 180 F C -1.443 174.361 175.800 0.007 0.000 1.085 180 F CA -1.042 56.912 58.000 -0.076 0.000 0.945 180 F CB 1.134 40.078 39.000 -0.094 0.000 1.298 180 F HN 0.287 nan 8.300 nan 0.000 0.455 181 V N 3.434 123.405 119.914 0.094 0.000 2.398 181 V HA 0.487 4.609 4.120 0.003 0.000 0.286 181 V C -0.906 175.307 176.094 0.197 0.000 1.026 181 V CA -0.631 61.664 62.300 -0.009 0.000 0.868 181 V CB 0.962 32.776 31.823 -0.015 0.000 0.982 181 V HN 0.860 nan 8.190 nan 0.000 0.443 182 Y N 2.034 122.359 120.300 0.041 0.000 2.609 182 Y HA 0.777 5.329 4.550 0.003 0.000 0.342 182 Y C -0.668 175.337 175.900 0.174 0.000 1.058 182 Y CA -1.231 56.991 58.100 0.204 0.000 1.055 182 Y CB 1.782 40.427 38.460 0.309 0.000 1.292 182 Y HN 0.505 nan 8.280 nan 0.000 0.476 183 Q N 1.969 121.966 119.800 0.327 0.000 2.340 183 Q HA 0.416 4.758 4.340 0.003 0.000 0.268 183 Q C -1.762 174.336 176.000 0.164 0.000 1.031 183 Q CA -0.624 55.225 55.803 0.077 0.000 0.804 183 Q CB 2.046 30.681 28.738 -0.170 0.000 1.286 183 Q HN 0.987 nan 8.270 nan 0.000 0.448 184 D N 2.600 123.089 120.400 0.149 0.000 2.831 184 D HA 0.606 5.248 4.640 0.003 0.000 0.240 184 D C -2.573 173.773 176.300 0.077 0.000 1.183 184 D CA -1.311 52.780 54.000 0.153 0.000 1.079 184 D CB 0.067 40.985 40.800 0.198 0.000 1.262 184 D HN 0.239 nan 8.370 nan 0.000 0.634 185 P HA 0.273 nan 4.420 nan 0.000 0.298 185 P C -1.107 176.232 177.300 0.064 0.000 1.314 185 P CA -0.034 63.094 63.100 0.047 0.000 0.854 185 P CB 1.093 32.816 31.700 0.037 0.000 1.019 186 Q N 1.735 121.559 119.800 0.040 0.000 2.440 186 Q HA -0.077 4.265 4.340 0.003 0.000 0.281 186 Q C 0.061 176.084 176.000 0.038 0.000 1.070 186 Q CA 0.587 56.415 55.803 0.042 0.000 0.929 186 Q CB -2.344 26.434 28.738 0.067 0.000 1.212 186 Q HN 0.816 nan 8.270 nan 0.000 0.521 187 G N 0.196 108.977 108.800 -0.031 0.000 2.627 187 G HA2 -0.207 3.755 3.960 0.003 0.000 0.214 187 G HA3 -0.207 3.755 3.960 0.003 0.000 0.214 187 G C -0.839 173.829 174.900 -0.386 0.000 1.331 187 G CA -0.272 44.712 45.100 -0.194 0.000 0.891 187 G HN 0.495 nan 8.290 nan 0.000 0.539 188 R N -0.346 119.777 120.500 -0.628 0.000 2.787 188 R HA 0.762 5.104 4.340 0.003 0.000 0.271 188 R C -0.669 174.977 176.300 -1.089 0.000 0.993 188 R CA -0.736 54.968 56.100 -0.660 0.000 0.993 188 R CB 1.473 31.571 30.300 -0.335 0.000 1.155 188 R HN 0.761 nan 8.270 nan 0.000 0.486 189 H N -1.118 117.572 119.070 -0.632 0.000 3.012 189 H HA 0.349 4.907 4.556 0.003 0.000 0.367 189 H C -1.534 173.424 175.328 -0.616 0.000 1.211 189 H CA -0.765 54.894 56.048 -0.648 0.000 1.139 189 H CB 1.844 31.105 29.762 -0.834 0.000 1.838 189 H HN 0.229 nan 8.280 nan 0.000 0.550 190 V N 1.759 121.477 119.914 -0.327 0.000 2.435 190 V HA 0.659 4.781 4.120 0.003 0.000 0.290 190 V C -0.768 175.125 176.094 -0.335 0.000 1.030 190 V CA -0.264 61.823 62.300 -0.355 0.000 0.881 190 V CB 1.141 32.731 31.823 -0.390 0.000 0.983 190 V HN 0.839 nan 8.190 nan 0.000 0.445 191 K N 3.743 123.806 120.400 -0.562 0.000 2.551 191 K HA 0.780 5.102 4.320 0.003 0.000 0.269 191 K C -1.159 174.998 176.600 -0.738 0.000 0.949 191 K CA -0.323 55.589 56.287 -0.625 0.000 0.849 191 K CB 2.487 34.580 32.500 -0.677 0.000 1.411 191 K HN 0.832 nan 8.250 nan 0.000 0.432 192 T N -0.822 113.324 114.554 -0.680 0.000 2.906 192 T HA 0.586 4.938 4.350 0.003 0.000 0.295 192 T C -1.191 173.089 174.700 -0.700 0.000 1.061 192 T CA -0.706 61.010 62.100 -0.640 0.000 1.000 192 T CB 0.767 69.196 68.868 -0.731 0.000 1.103 192 T HN 0.456 nan 8.240 nan 0.000 0.486 193 Y N -0.367 119.735 120.300 -0.330 0.000 2.470 193 Y HA 0.460 5.012 4.550 0.003 0.000 0.341 193 Y C 0.405 176.161 175.900 -0.240 0.000 1.021 193 Y CA -1.356 56.524 58.100 -0.367 0.000 1.025 193 Y CB 1.854 39.832 38.460 -0.803 0.000 1.266 193 Y HN 0.660 nan 8.280 nan 0.000 0.448 194 E N 1.379 121.611 120.200 0.053 0.000 2.408 194 E HA 0.308 4.660 4.350 0.003 0.000 0.259 194 E C -1.077 175.641 176.600 0.197 0.000 1.110 194 E CA -0.258 56.197 56.400 0.092 0.000 0.929 194 E CB 1.101 30.849 29.700 0.079 0.000 0.971 194 E HN 0.240 nan 8.360 nan 0.000 0.438 195 V N 2.217 122.268 119.914 0.229 0.000 2.349 195 V HA 0.135 4.257 4.120 0.003 0.000 0.284 195 V C -0.326 175.897 176.094 0.215 0.000 1.014 195 V CA -0.513 61.974 62.300 0.311 0.000 0.826 195 V CB 1.469 33.537 31.823 0.408 0.000 1.009 195 V HN 0.524 nan 8.190 nan 0.000 0.431 196 S N 5.105 120.913 115.700 0.180 0.000 2.420 196 S HA 0.448 4.920 4.470 0.003 0.000 0.313 196 S C 0.963 175.629 174.600 0.110 0.000 1.079 196 S CA -0.744 57.522 58.200 0.111 0.000 1.104 196 S CB 0.692 63.929 63.200 0.063 0.000 0.969 196 S HN 0.682 nan 8.310 nan 0.000 0.471 197 L N 3.707 125.002 121.223 0.121 0.000 2.509 197 L HA 0.404 4.746 4.340 0.003 0.000 0.222 197 L C 2.064 178.858 176.870 -0.128 0.000 1.123 197 L CA 0.276 55.181 54.840 0.109 0.000 0.856 197 L CB -0.304 41.911 42.059 0.260 0.000 0.985 197 L HN 0.561 nan 8.230 nan 0.000 0.456 198 R N 0.236 120.694 120.500 -0.070 0.000 2.307 198 R HA -0.010 4.332 4.340 0.003 0.000 0.199 198 R C 1.215 177.438 176.300 -0.129 0.000 1.000 198 R CA 0.617 56.660 56.100 -0.094 0.000 1.023 198 R CB 0.306 30.580 30.300 -0.045 0.000 0.908 198 R HN 0.418 nan 8.270 nan 0.000 0.473 199 E N -0.172 119.940 120.200 -0.146 0.000 2.414 199 E HA 0.077 4.429 4.350 0.003 0.000 0.208 199 E C -0.165 176.303 176.600 -0.220 0.000 0.820 199 E CA 0.101 56.415 56.400 -0.144 0.000 1.143 199 E CB 0.748 30.401 29.700 -0.078 0.000 1.150 199 E HN 0.120 nan 8.360 nan 0.000 0.540 200 K N 1.277 121.499 120.400 -0.298 0.000 3.263 200 K HA -0.153 4.169 4.320 0.003 0.000 0.277 200 K C -0.255 176.260 176.600 -0.141 0.000 1.207 200 K CA 0.840 56.892 56.287 -0.392 0.000 0.818 200 K CB -1.391 30.777 32.500 -0.553 0.000 1.313 200 K HN 0.392 nan 8.250 nan 0.000 0.512 201 E N -1.327 118.815 120.200 -0.096 0.000 2.446 201 E HA 0.551 4.903 4.350 0.003 0.000 0.267 201 E C -0.064 176.476 176.600 -0.099 0.000 0.955 201 E CA -1.145 55.176 56.400 -0.131 0.000 0.842 201 E CB 0.512 30.166 29.700 -0.077 0.000 1.504 201 E HN -0.122 nan 8.360 nan 0.000 0.438 202 F N 0.301 120.191 119.950 -0.101 0.000 2.506 202 F HA 0.458 4.987 4.527 0.003 0.000 0.215 202 F C 0.368 176.126 175.800 -0.069 0.000 1.168 202 F CA 0.210 58.120 58.000 -0.150 0.000 0.942 202 F CB -0.551 38.169 39.000 -0.468 0.000 1.083 202 F HN 0.723 nan 8.300 nan 0.000 0.661 203 N N -2.067 116.735 118.700 0.170 0.000 5.706 203 N HA -0.029 4.713 4.740 0.003 0.000 0.201 203 N C -1.518 174.074 175.510 0.136 0.000 1.081 203 N CA -0.650 52.468 53.050 0.114 0.000 0.715 203 N CB 0.177 38.729 38.487 0.109 0.000 1.714 203 N HN 0.030 nan 8.380 nan 0.000 0.502 204 K N 0.638 121.099 120.400 0.101 0.000 2.218 204 K HA 0.476 4.798 4.320 0.003 0.000 0.276 204 K C 0.193 176.814 176.600 0.035 0.000 1.022 204 K CA -0.057 56.287 56.287 0.094 0.000 0.946 204 K CB 0.601 33.135 32.500 0.057 0.000 1.000 204 K HN 0.547 nan 8.250 nan 0.000 0.468 205 G N 2.798 111.575 108.800 -0.038 0.000 2.537 205 G HA2 0.184 4.146 3.960 0.003 0.000 0.273 205 G HA3 0.184 4.146 3.960 0.003 0.000 0.273 205 G C -1.907 172.898 174.900 -0.158 0.000 1.189 205 G CA -1.172 43.823 45.100 -0.176 0.000 0.881 205 G HN 0.386 nan 8.290 nan 0.000 0.535 206 P HA 0.043 nan 4.420 nan 0.000 0.221 206 P C -0.369 176.997 177.300 0.110 0.000 1.150 206 P CA 0.851 63.924 63.100 -0.045 0.000 0.800 206 P CB 0.159 31.841 31.700 -0.030 0.000 0.787 207 W N -1.493 119.786 121.300 -0.035 0.000 2.844 207 W HA 0.613 5.275 4.660 0.003 0.000 0.340 207 W C -0.668 175.809 176.519 -0.070 0.000 1.093 207 W CA -1.539 55.781 57.345 -0.042 0.000 1.212 207 W CB 0.586 30.025 29.460 -0.034 0.000 1.422 207 W HN -0.468 nan 8.180 nan 0.000 0.515 208 K N 2.027 122.550 120.400 0.204 0.000 2.485 208 K HA -0.075 4.247 4.320 0.003 0.000 0.277 208 K C 0.517 177.158 176.600 0.069 0.000 0.990 208 K CA -0.117 56.219 56.287 0.082 0.000 0.994 208 K CB 0.540 33.078 32.500 0.063 0.000 0.906 208 K HN 0.572 nan 8.250 nan 0.000 0.488 209 Q N 3.991 123.782 119.800 -0.015 0.000 2.317 209 Q HA -0.127 4.215 4.340 0.003 0.000 0.286 209 Q C -0.537 175.452 176.000 -0.018 0.000 1.198 209 Q CA 0.375 56.153 55.803 -0.042 0.000 0.973 209 Q CB 0.350 29.063 28.738 -0.043 0.000 1.207 209 Q HN 0.366 nan 8.270 nan 0.000 0.416 210 E N 3.206 123.383 120.200 -0.037 0.000 2.385 210 E HA 0.273 4.625 4.350 0.003 0.000 0.254 210 E C -0.191 176.352 176.600 -0.096 0.000 1.228 210 E CA -0.554 55.806 56.400 -0.066 0.000 0.956 210 E CB 0.442 30.106 29.700 -0.060 0.000 1.116 210 E HN 0.573 nan 8.360 nan 0.000 0.507 211 N N -0.053 118.584 118.700 -0.104 0.000 2.489 211 N HA 0.405 5.147 4.740 0.003 0.000 0.284 211 N C -0.302 175.112 175.510 -0.160 0.000 1.158 211 N CA -0.375 52.577 53.050 -0.164 0.000 0.965 211 N CB 1.796 40.192 38.487 -0.152 0.000 1.195 211 N HN 0.294 nan 8.380 nan 0.000 0.506 212 V N -2.402 117.373 119.914 -0.232 0.000 3.130 212 V HA 0.549 4.671 4.120 0.003 0.000 0.310 212 V C -0.044 175.955 176.094 -0.158 0.000 1.158 212 V CA -1.106 61.114 62.300 -0.134 0.000 1.029 212 V CB 1.729 33.465 31.823 -0.144 0.000 1.057 212 V HN 0.767 nan 8.190 nan 0.000 0.436 213 E N 1.802 121.951 120.200 -0.086 0.000 2.390 213 E HA 0.486 4.838 4.350 0.003 0.000 0.261 213 E C 1.238 177.774 176.600 -0.107 0.000 1.076 213 E CA 0.038 56.386 56.400 -0.085 0.000 0.905 213 E CB 1.536 31.208 29.700 -0.045 0.000 0.984 213 E HN 1.187 nan 8.360 nan 0.000 0.427 214 A N 2.830 125.592 122.820 -0.098 0.000 2.009 214 A HA -0.233 4.089 4.320 0.003 0.000 0.222 214 A C 1.411 178.955 177.584 -0.067 0.000 1.175 214 A CA 1.772 53.755 52.037 -0.090 0.000 0.651 214 A CB -0.416 18.545 19.000 -0.065 0.000 0.815 214 A HN 0.676 nan 8.150 nan 0.000 0.459 215 E N -1.038 119.132 120.200 -0.051 0.000 2.734 215 E HA 0.395 4.747 4.350 0.003 0.000 0.211 215 E C 0.002 176.588 176.600 -0.024 0.000 0.991 215 E CA 0.309 56.691 56.400 -0.029 0.000 1.065 215 E CB 0.148 29.836 29.700 -0.020 0.000 1.047 215 E HN 0.518 nan 8.360 nan 0.000 0.470 216 A N 1.351 124.148 122.820 -0.037 0.000 2.524 216 A HA 0.195 4.517 4.320 0.003 0.000 0.250 216 A C 1.256 178.838 177.584 -0.002 0.000 1.078 216 A CA 0.750 52.771 52.037 -0.028 0.000 0.761 216 A CB 0.201 19.171 19.000 -0.051 0.000 1.012 216 A HN 0.198 nan 8.150 nan 0.000 0.500 217 S N 1.743 117.451 115.700 0.014 0.000 2.648 217 S HA 0.308 4.780 4.470 0.003 0.000 0.270 217 S C 0.356 174.989 174.600 0.056 0.000 1.082 217 S CA -0.220 58.003 58.200 0.040 0.000 1.116 217 S CB 0.040 63.265 63.200 0.042 0.000 1.040 217 S HN 0.601 nan 8.310 nan 0.000 0.572 218 M N 2.225 121.853 119.600 0.047 0.000 2.456 218 M HA 0.597 5.079 4.480 0.003 0.000 0.324 218 M C -1.530 174.784 176.300 0.023 0.000 1.124 218 M CA -0.649 54.694 55.300 0.071 0.000 0.959 218 M CB 2.267 34.933 32.600 0.110 0.000 1.692 218 M HN -0.051 nan 8.290 nan 0.000 0.444 219 V N 4.137 124.072 119.914 0.036 0.000 2.444 219 V HA 0.531 4.653 4.120 0.003 0.000 0.294 219 V C -0.425 175.636 176.094 -0.055 0.000 1.022 219 V CA -0.541 61.760 62.300 0.002 0.000 0.850 219 V CB 1.978 33.828 31.823 0.046 0.000 0.992 219 V HN 0.710 nan 8.190 nan 0.000 0.426 220 I N 3.808 124.290 120.570 -0.145 0.000 2.404 220 I HA 0.685 4.857 4.170 0.003 0.000 0.293 220 I C 0.408 176.521 176.117 -0.007 0.000 0.992 220 I CA -0.569 60.608 61.300 -0.203 0.000 1.149 220 I CB 1.898 39.574 38.000 -0.541 0.000 1.315 220 I HN 0.659 nan 8.210 nan 0.000 0.446 221 A N 6.980 129.880 122.820 0.133 0.000 2.280 221 A HA 0.591 4.913 4.320 0.003 0.000 0.320 221 A C -0.176 177.653 177.584 0.407 0.000 1.366 221 A CA -0.529 51.675 52.037 0.279 0.000 0.938 221 A CB 0.142 19.314 19.000 0.286 0.000 1.157 221 A HN 0.491 nan 8.150 nan 0.000 0.536 222 V N 4.024 124.127 119.914 0.316 0.000 2.655 222 V HA 0.144 4.266 4.120 0.003 0.000 0.300 222 V C -1.965 174.190 176.094 0.100 0.000 1.044 222 V CA -1.118 61.318 62.300 0.227 0.000 1.095 222 V CB 0.256 32.209 31.823 0.217 0.000 0.952 222 V HN 0.732 nan 8.190 nan 0.000 0.485 223 P HA 0.088 nan 4.420 nan 0.000 0.271 223 P C 1.104 178.204 177.300 -0.334 0.000 1.233 223 P CA -0.287 62.300 63.100 -0.855 0.000 0.789 223 P CB 0.547 31.927 31.700 -0.534 0.000 0.951 224 E N 1.210 121.193 120.200 -0.362 0.000 2.196 224 E HA -0.243 4.109 4.350 0.003 0.000 0.222 224 E C -0.652 176.011 176.600 0.104 0.000 1.072 224 E CA 2.647 59.067 56.400 0.034 0.000 0.902 224 E CB -2.036 27.708 29.700 0.074 0.000 0.780 224 E HN 0.458 nan 8.360 nan 0.000 0.467 225 P HA -0.155 nan 4.420 nan 0.000 0.214 225 P C 1.320 178.705 177.300 0.142 0.000 1.163 225 P CA 1.482 64.665 63.100 0.138 0.000 0.889 225 P CB -0.196 31.639 31.700 0.224 0.000 0.790 226 F N -1.380 118.578 119.950 0.014 0.000 2.274 226 F HA 0.328 4.857 4.527 0.003 0.000 0.288 226 F C 1.764 177.639 175.800 0.125 0.000 1.069 226 F CA 0.974 59.002 58.000 0.046 0.000 1.343 226 F CB -1.195 37.820 39.000 0.025 0.000 1.089 226 F HN -0.023 nan 8.300 nan 0.000 0.517 227 G N -0.199 108.824 108.800 0.372 0.000 2.880 227 G HA2 0.347 4.309 3.960 0.003 0.000 0.617 227 G HA3 0.347 4.309 3.960 0.003 0.000 0.617 227 G C 0.219 175.355 174.900 0.393 0.000 1.493 227 G CA -0.278 45.032 45.100 0.351 0.000 0.916 227 G HN 1.373 nan 8.290 nan 0.000 0.553 228 G N -1.286 107.725 108.800 0.351 0.000 2.447 228 G HA2 0.560 4.522 3.960 0.003 0.000 0.220 228 G HA3 0.560 4.522 3.960 0.003 0.000 0.220 228 G C -0.052 174.972 174.900 0.206 0.000 1.261 228 G CA 0.883 46.080 45.100 0.161 0.000 1.000 228 G HN 2.993 nan 8.290 nan 0.000 0.515 229 A N -0.840 121.964 122.820 -0.026 0.000 2.427 229 A HA 0.781 5.103 4.320 0.003 0.000 0.298 229 A C -0.501 177.106 177.584 0.038 0.000 1.036 229 A CA -0.377 51.711 52.037 0.085 0.000 0.701 229 A CB 1.149 20.254 19.000 0.175 0.000 1.250 229 A HN 1.262 nan 8.150 nan 0.000 0.412 230 I N 2.075 122.676 120.570 0.050 0.000 2.385 230 I HA 0.377 4.549 4.170 0.003 0.000 0.294 230 I C -0.816 175.294 176.117 -0.012 0.000 0.988 230 I CA -0.474 60.836 61.300 0.017 0.000 1.265 230 I CB 1.565 39.505 38.000 -0.101 0.000 1.388 230 I HN 0.502 nan 8.210 nan 0.000 0.480 231 I N 7.343 127.933 120.570 0.033 0.000 2.389 231 I HA 0.358 4.530 4.170 0.003 0.000 0.288 231 I C -0.377 175.732 176.117 -0.014 0.000 0.999 231 I CA 0.029 61.342 61.300 0.021 0.000 1.129 231 I CB 1.340 39.388 38.000 0.081 0.000 1.288 231 I HN 0.332 nan 8.210 nan 0.000 0.444 232 I N 5.901 126.451 120.570 -0.033 0.000 2.330 232 I HA 0.530 4.702 4.170 0.003 0.000 0.289 232 I C 0.782 176.884 176.117 -0.025 0.000 1.001 232 I CA 0.015 61.291 61.300 -0.041 0.000 1.193 232 I CB 1.270 39.242 38.000 -0.046 0.000 1.345 232 I HN 0.682 nan 8.210 nan 0.000 0.461 233 G N 4.768 113.547 108.800 -0.034 0.000 2.702 233 G HA2 0.365 4.327 3.960 0.003 0.000 0.254 233 G HA3 0.365 4.327 3.960 0.003 0.000 0.254 233 G C -0.676 174.201 174.900 -0.039 0.000 1.380 233 G CA -0.391 44.691 45.100 -0.031 0.000 1.042 233 G HN 0.380 nan 8.290 nan 0.000 0.557 234 Q N 0.305 120.084 119.800 -0.035 0.000 2.293 234 Q HA 0.221 4.563 4.340 0.003 0.000 0.251 234 Q C 0.470 176.440 176.000 -0.050 0.000 0.930 234 Q CA 0.373 56.152 55.803 -0.040 0.000 0.893 234 Q CB 1.366 30.087 28.738 -0.028 0.000 1.215 234 Q HN 0.858 nan 8.270 nan 0.000 0.425 235 E N -0.496 119.666 120.200 -0.063 0.000 3.313 235 E HA -0.256 4.096 4.350 0.003 0.000 0.283 235 E C -0.587 175.969 176.600 -0.073 0.000 0.941 235 E CA 1.461 57.821 56.400 -0.067 0.000 0.907 235 E CB -1.557 28.115 29.700 -0.046 0.000 1.458 235 E HN 0.339 nan 8.360 nan 0.000 0.463 236 S N -0.562 115.092 115.700 -0.077 0.000 2.543 236 S HA 0.702 5.174 4.470 0.003 0.000 0.273 236 S C -1.029 173.524 174.600 -0.078 0.000 1.152 236 S CA -0.818 57.339 58.200 -0.072 0.000 0.910 236 S CB 1.078 64.251 63.200 -0.046 0.000 1.105 236 S HN 0.384 nan 8.310 nan 0.000 0.465 237 I N 3.371 123.885 120.570 -0.092 0.000 2.608 237 I HA 0.598 4.770 4.170 0.003 0.000 0.295 237 I C -0.172 175.882 176.117 -0.105 0.000 1.049 237 I CA -0.625 60.617 61.300 -0.096 0.000 1.063 237 I CB 2.556 40.483 38.000 -0.122 0.000 1.248 237 I HN 0.906 nan 8.210 nan 0.000 0.424 238 T N 1.708 116.212 114.554 -0.084 0.000 2.883 238 T HA 0.558 4.910 4.350 0.003 0.000 0.301 238 T C -1.477 173.157 174.700 -0.111 0.000 1.158 238 T CA -0.758 61.245 62.100 -0.163 0.000 1.007 238 T CB 2.232 71.021 68.868 -0.132 0.000 1.186 238 T HN 0.446 nan 8.240 nan 0.000 0.499 239 Y N 1.467 121.500 120.300 -0.446 0.000 2.391 239 Y HA 0.614 5.166 4.550 0.003 0.000 0.341 239 Y C -0.834 174.773 175.900 -0.489 0.000 0.965 239 Y CA -0.803 57.102 58.100 -0.325 0.000 1.067 239 Y CB 1.492 39.798 38.460 -0.256 0.000 1.199 239 Y HN 0.849 nan 8.280 nan 0.000 0.450 240 H N 4.846 123.456 119.070 -0.768 0.000 2.637 240 H HA 0.430 4.988 4.556 0.003 0.000 0.363 240 H C -1.257 173.415 175.328 -1.094 0.000 1.131 240 H CA -0.949 54.712 56.048 -0.644 0.000 1.183 240 H CB 2.357 31.951 29.762 -0.280 0.000 1.637 240 H HN 0.625 nan 8.280 nan 0.000 0.531 241 N N 0.924 119.034 118.700 -0.982 0.000 2.999 241 N HA 0.140 4.882 4.740 0.003 0.000 0.244 241 N C 0.593 175.506 175.510 -0.995 0.000 1.106 241 N CA 0.661 52.934 53.050 -1.295 0.000 1.018 241 N CB 1.295 39.373 38.487 -0.681 0.000 1.600 241 N HN 0.966 nan 8.380 nan 0.000 0.621 242 G N 3.521 111.568 108.800 -1.256 0.000 2.685 242 G HA2 -0.365 3.597 3.960 0.003 0.000 0.329 242 G HA3 -0.365 3.597 3.960 0.003 0.000 0.329 242 G C 0.232 174.974 174.900 -0.263 0.000 1.271 242 G CA 1.111 45.997 45.100 -0.358 0.000 1.003 242 G HN 0.692 nan 8.290 nan 0.000 0.549 243 D N 1.035 121.359 120.400 -0.127 0.000 2.349 243 D HA 0.152 4.794 4.640 0.003 0.000 0.214 243 D C 1.106 177.372 176.300 -0.056 0.000 1.063 243 D CA 0.342 54.302 54.000 -0.067 0.000 0.847 243 D CB 0.325 41.111 40.800 -0.023 0.000 0.933 243 D HN 0.319 nan 8.370 nan 0.000 0.513 244 K N 0.977 121.317 120.400 -0.101 0.000 2.379 244 K HA 0.057 4.379 4.320 0.003 0.000 0.284 244 K C -1.296 175.285 176.600 -0.031 0.000 1.044 244 K CA -0.186 56.074 56.287 -0.046 0.000 0.974 244 K CB 0.087 32.571 32.500 -0.026 0.000 0.962 244 K HN -0.102 nan 8.250 nan 0.000 0.474 245 Y N 5.144 125.371 120.300 -0.121 0.000 2.317 245 Y HA 0.397 4.949 4.550 0.003 0.000 0.325 245 Y C -1.976 173.852 175.900 -0.119 0.000 1.066 245 Y CA -0.866 57.117 58.100 -0.194 0.000 1.203 245 Y CB 0.802 39.157 38.460 -0.176 0.000 1.127 245 Y HN 0.499 nan 8.280 nan 0.000 0.451 246 L N 5.719 126.543 121.223 -0.664 0.000 2.362 246 L HA 0.955 5.297 4.340 0.003 0.000 0.275 246 L C -0.729 175.752 176.870 -0.648 0.000 0.998 246 L CA -0.942 53.589 54.840 -0.516 0.000 0.820 246 L CB 2.032 43.965 42.059 -0.210 0.000 1.270 246 L HN 0.767 nan 8.230 nan 0.000 0.415 247 A N 4.725 127.244 122.820 -0.501 0.000 2.381 247 A HA 0.816 5.138 4.320 0.003 0.000 0.299 247 A C -0.842 176.633 177.584 -0.183 0.000 1.049 247 A CA -0.458 51.369 52.037 -0.350 0.000 0.715 247 A CB 1.133 19.939 19.000 -0.323 0.000 1.222 247 A HN 0.694 nan 8.150 nan 0.000 0.428 248 I N -0.452 120.029 120.570 -0.149 0.000 2.493 248 I HA 0.871 5.043 4.170 0.003 0.000 0.298 248 I C 0.128 176.188 176.117 -0.094 0.000 0.998 248 I CA -0.928 60.306 61.300 -0.109 0.000 1.137 248 I CB 2.464 40.399 38.000 -0.108 0.000 1.310 248 I HN 0.571 nan 8.210 nan 0.000 0.445 249 A N 5.794 128.569 122.820 -0.075 0.000 3.204 249 A HA 0.554 4.876 4.320 0.003 0.000 0.327 249 A C -2.549 174.995 177.584 -0.068 0.000 0.998 249 A CA -1.201 50.795 52.037 -0.068 0.000 0.891 249 A CB -0.442 18.529 19.000 -0.048 0.000 1.061 249 A HN 0.631 nan 8.150 nan 0.000 0.478 250 P HA 0.222 nan 4.420 nan 0.000 0.276 250 P C -2.213 175.045 177.300 -0.069 0.000 1.253 250 P CA -0.952 62.102 63.100 -0.077 0.000 0.766 250 P CB 1.195 32.833 31.700 -0.103 0.000 0.845 251 P HA -0.230 nan 4.420 nan 0.000 0.219 251 P C 1.703 178.987 177.300 -0.025 0.000 1.158 251 P CA 1.201 64.284 63.100 -0.027 0.000 0.895 251 P CB -0.166 31.528 31.700 -0.010 0.000 0.792 252 I N -0.478 120.083 120.570 -0.014 0.000 2.290 252 I HA -0.252 3.920 4.170 0.003 0.000 0.253 252 I C 1.866 177.980 176.117 -0.004 0.000 1.112 252 I CA 1.644 62.962 61.300 0.029 0.000 1.377 252 I CB -0.192 37.859 38.000 0.084 0.000 1.060 252 I HN -0.072 nan 8.210 nan 0.000 0.428 253 I N -2.610 117.882 120.570 -0.130 0.000 3.728 253 I HA -0.052 4.120 4.170 0.003 0.000 0.307 253 I C 2.106 178.168 176.117 -0.092 0.000 1.276 253 I CA 0.414 61.592 61.300 -0.204 0.000 1.285 253 I CB -0.352 37.412 38.000 -0.393 0.000 1.038 253 I HN 0.017 nan 8.210 nan 0.000 0.445 254 K N 1.385 121.751 120.400 -0.056 0.000 2.103 254 K HA -0.224 4.098 4.320 0.003 0.000 0.207 254 K C 2.084 178.677 176.600 -0.013 0.000 1.048 254 K CA 1.817 58.085 56.287 -0.033 0.000 0.930 254 K CB -0.063 32.422 32.500 -0.024 0.000 0.716 254 K HN 0.339 nan 8.250 nan 0.000 0.444 255 Q N -0.226 119.578 119.800 0.007 0.000 2.242 255 Q HA -0.116 4.226 4.340 0.003 0.000 0.211 255 Q C 0.289 176.293 176.000 0.007 0.000 0.992 255 Q CA 1.365 57.179 55.803 0.017 0.000 0.889 255 Q CB 0.041 28.805 28.738 0.044 0.000 0.913 255 Q HN 0.164 nan 8.270 nan 0.000 0.422 256 S N -2.450 113.257 115.700 0.012 0.000 2.578 256 S HA 0.342 4.814 4.470 0.003 0.000 0.272 256 S C -1.157 173.446 174.600 0.005 0.000 1.145 256 S CA -0.932 57.270 58.200 0.002 0.000 0.835 256 S CB 1.371 64.579 63.200 0.014 0.000 1.104 256 S HN 0.011 nan 8.310 nan 0.000 0.458 257 T N 2.940 117.491 114.554 -0.005 0.000 2.897 257 T HA 0.454 4.806 4.350 0.003 0.000 0.294 257 T C 0.142 174.854 174.700 0.020 0.000 1.004 257 T CA -0.130 61.969 62.100 -0.001 0.000 1.106 257 T CB 0.150 69.016 68.868 -0.003 0.000 0.949 257 T HN 0.485 nan 8.240 nan 0.000 0.520 258 I N 2.920 123.500 120.570 0.017 0.000 2.416 258 I HA 0.095 4.267 4.170 0.003 0.000 0.288 258 I C 1.005 177.153 176.117 0.052 0.000 1.051 258 I CA 0.004 61.331 61.300 0.046 0.000 1.375 258 I CB 1.107 39.121 38.000 0.023 0.000 1.407 258 I HN 0.455 nan 8.210 nan 0.000 0.516 259 V N 5.381 125.331 119.914 0.060 0.000 3.212 259 V HA 0.055 4.177 4.120 0.003 0.000 0.244 259 V C 0.185 176.305 176.094 0.044 0.000 1.151 259 V CA 0.507 62.834 62.300 0.045 0.000 1.119 259 V CB 0.745 32.585 31.823 0.028 0.000 0.838 259 V HN 0.966 nan 8.190 nan 0.000 0.470 260 C N -0.224 119.108 119.300 0.053 0.000 3.239 260 C HA 0.861 5.323 4.460 0.003 0.000 0.317 260 C C -0.561 174.465 174.990 0.060 0.000 1.310 260 C CA -0.795 58.218 59.018 -0.009 0.000 1.371 260 C CB 0.984 28.700 27.740 -0.040 0.000 1.714 260 C HN 0.695 nan 8.230 nan 0.000 0.473 261 H N 0.306 119.429 119.070 0.088 0.000 2.931 261 H HA 0.897 5.455 4.556 0.003 0.000 0.331 261 H C -0.942 174.484 175.328 0.164 0.000 1.273 261 H CA -0.493 55.630 56.048 0.124 0.000 1.171 261 H CB 1.264 31.088 29.762 0.103 0.000 1.898 261 H HN 1.012 nan 8.280 nan 0.000 0.562 262 N N -0.639 118.310 118.700 0.416 0.000 2.647 262 N HA 0.160 4.902 4.740 0.003 0.000 0.259 262 N C -1.746 173.935 175.510 0.285 0.000 1.098 262 N CA -0.864 52.376 53.050 0.316 0.000 0.984 262 N CB 1.818 40.412 38.487 0.179 0.000 1.683 262 N HN 0.849 nan 8.380 nan 0.000 0.501 263 R N 2.835 123.405 120.500 0.116 0.000 2.401 263 R HA 0.312 4.654 4.340 0.003 0.000 0.299 263 R C -0.204 175.927 176.300 -0.281 0.000 1.064 263 R CA -0.278 55.545 56.100 -0.463 0.000 1.000 263 R CB 0.603 30.711 30.300 -0.320 0.000 0.973 263 R HN 0.470 nan 8.270 nan 0.000 0.438 264 V N 2.541 122.192 119.914 -0.438 0.000 2.436 264 V HA 0.024 4.145 4.120 0.003 0.000 0.240 264 V C 0.180 176.063 176.094 -0.351 0.000 1.040 264 V CA 1.154 63.181 62.300 -0.454 0.000 1.052 264 V CB -0.122 31.319 31.823 -0.635 0.000 0.707 264 V HN 0.772 nan 8.190 nan 0.000 0.469 265 D N -0.179 120.014 120.400 -0.346 0.000 2.256 265 D HA 0.300 4.942 4.640 0.003 0.000 0.240 265 D C -1.890 174.295 176.300 -0.192 0.000 1.062 265 D CA -1.852 52.021 54.000 -0.212 0.000 0.832 265 D CB 1.756 42.441 40.800 -0.192 0.000 1.135 265 D HN -0.013 nan 8.370 nan 0.000 0.484 266 P HA -0.189 nan 4.420 nan 0.000 0.218 266 P C 1.016 178.268 177.300 -0.080 0.000 1.146 266 P CA 1.155 64.220 63.100 -0.059 0.000 0.820 266 P CB 0.272 31.974 31.700 0.003 0.000 0.778 267 N N -1.560 117.108 118.700 -0.054 0.000 2.416 267 N HA -0.012 4.730 4.740 0.003 0.000 0.177 267 N C 1.260 176.674 175.510 -0.160 0.000 1.036 267 N CA 1.290 54.361 53.050 0.035 0.000 0.901 267 N CB -0.870 37.736 38.487 0.199 0.000 0.976 267 N HN 0.171 nan 8.380 nan 0.000 0.444 268 G N 0.786 109.392 108.800 -0.324 0.000 2.204 268 G HA2 -0.306 3.656 3.960 0.003 0.000 0.244 268 G HA3 -0.306 3.656 3.960 0.003 0.000 0.244 268 G C 0.833 175.320 174.900 -0.688 0.000 1.062 268 G CA 0.620 45.404 45.100 -0.526 0.000 0.798 268 G HN 0.578 nan 8.290 nan 0.000 0.496 269 S N -1.134 114.306 115.700 -0.434 0.000 2.402 269 S HA 0.136 4.608 4.470 0.003 0.000 0.229 269 S C 1.089 175.576 174.600 -0.190 0.000 1.021 269 S CA 1.102 59.164 58.200 -0.230 0.000 0.974 269 S CB 0.383 63.570 63.200 -0.022 0.000 0.800 269 S HN 0.673 nan 8.310 nan 0.000 0.484 270 R N -0.259 120.088 120.500 -0.255 0.000 2.564 270 R HA 0.582 4.924 4.340 0.003 0.000 0.284 270 R C -2.028 174.075 176.300 -0.328 0.000 1.031 270 R CA -0.489 55.492 56.100 -0.197 0.000 0.904 270 R CB 1.633 31.804 30.300 -0.215 0.000 1.199 270 R HN 0.246 nan 8.270 nan 0.000 0.443 271 Y N 1.446 121.678 120.300 -0.114 0.000 2.536 271 Y HA 0.453 5.005 4.550 0.003 0.000 0.347 271 Y C 0.027 175.916 175.900 -0.017 0.000 1.000 271 Y CA -0.863 57.203 58.100 -0.056 0.000 1.051 271 Y CB 1.794 40.234 38.460 -0.034 0.000 1.259 271 Y HN 0.254 nan 8.280 nan 0.000 0.468 272 L N 3.528 124.862 121.223 0.186 0.000 2.334 272 L HA 0.511 4.853 4.340 0.003 0.000 0.277 272 L C -0.889 176.110 176.870 0.216 0.000 1.075 272 L CA -0.535 54.401 54.840 0.160 0.000 0.804 272 L CB 0.823 42.956 42.059 0.123 0.000 1.174 272 L HN 0.401 nan 8.230 nan 0.000 0.438 273 L N 1.984 123.336 121.223 0.214 0.000 2.365 273 L HA 0.617 4.959 4.340 0.003 0.000 0.273 273 L C 0.234 177.239 176.870 0.226 0.000 1.000 273 L CA -0.620 54.359 54.840 0.232 0.000 0.819 273 L CB 1.912 44.109 42.059 0.230 0.000 1.284 273 L HN 0.607 nan 8.230 nan 0.000 0.418 274 G N 0.362 109.261 108.800 0.165 0.000 2.371 274 G HA2 0.448 4.410 3.960 0.003 0.000 0.326 274 G HA3 0.448 4.410 3.960 0.003 0.000 0.326 274 G C -1.342 173.636 174.900 0.131 0.000 1.127 274 G CA -0.157 45.010 45.100 0.113 0.000 0.885 274 G HN 0.476 nan 8.290 nan 0.000 0.477 275 D N 1.491 121.957 120.400 0.110 0.000 2.268 275 D HA 0.246 4.888 4.640 0.003 0.000 0.249 275 D C 1.417 177.733 176.300 0.027 0.000 1.008 275 D CA -0.838 53.227 54.000 0.108 0.000 0.939 275 D CB 1.687 42.565 40.800 0.130 0.000 1.170 275 D HN 0.102 nan 8.370 nan 0.000 0.468 276 M N 1.365 120.963 119.600 -0.002 0.000 2.267 276 M HA -0.121 4.361 4.480 0.003 0.000 0.263 276 M C 1.105 177.337 176.300 -0.113 0.000 1.063 276 M CA 1.605 56.861 55.300 -0.073 0.000 1.090 276 M CB -0.325 32.208 32.600 -0.112 0.000 1.392 276 M HN 0.438 nan 8.290 nan 0.000 0.422 277 E N -1.075 119.084 120.200 -0.068 0.000 2.285 277 E HA 0.037 4.389 4.350 0.003 0.000 0.194 277 E C 1.515 178.086 176.600 -0.047 0.000 0.997 277 E CA 1.029 57.387 56.400 -0.070 0.000 0.845 277 E CB -0.074 29.605 29.700 -0.034 0.000 0.782 277 E HN 0.678 nan 8.360 nan 0.000 0.491 278 G N 1.664 110.443 108.800 -0.036 0.000 2.195 278 G HA2 -0.272 3.690 3.960 0.003 0.000 0.224 278 G HA3 -0.272 3.690 3.960 0.003 0.000 0.224 278 G C 0.270 175.125 174.900 -0.075 0.000 0.990 278 G CA -0.020 45.056 45.100 -0.041 0.000 0.639 278 G HN 0.168 nan 8.290 nan 0.000 0.514 279 R N -0.273 120.166 120.500 -0.102 0.000 2.623 279 R HA 0.455 4.797 4.340 0.003 0.000 0.271 279 R C -0.283 175.827 176.300 -0.315 0.000 1.043 279 R CA -0.146 55.802 56.100 -0.253 0.000 1.083 279 R CB 0.712 30.809 30.300 -0.338 0.000 0.974 279 R HN 0.191 nan 8.270 nan 0.000 0.436 280 L N 3.913 124.890 121.223 -0.410 0.000 2.322 280 L HA 0.481 4.823 4.340 0.003 0.000 0.281 280 L C -1.266 175.334 176.870 -0.450 0.000 1.014 280 L CA -0.292 54.386 54.840 -0.271 0.000 0.815 280 L CB 1.117 43.101 42.059 -0.124 0.000 1.247 280 L HN 0.409 nan 8.230 nan 0.000 0.421 281 F N 4.029 123.986 119.950 0.012 0.000 2.538 281 F HA 0.606 5.135 4.527 0.003 0.000 0.325 281 F C 0.046 175.844 175.800 -0.005 0.000 1.066 281 F CA -0.769 57.232 58.000 0.000 0.000 0.946 281 F CB 1.841 40.840 39.000 -0.001 0.000 1.199 281 F HN 0.341 nan 8.300 nan 0.000 0.473 282 M N 3.384 123.086 119.600 0.170 0.000 2.129 282 M HA 0.402 4.884 4.480 0.003 0.000 0.348 282 M C -1.483 174.866 176.300 0.081 0.000 1.116 282 M CA -0.241 55.106 55.300 0.078 0.000 1.022 282 M CB 0.806 33.397 32.600 -0.016 0.000 1.599 282 M HN 0.500 nan 8.290 nan 0.000 0.449 283 L N 6.474 127.744 121.223 0.077 0.000 2.265 283 L HA 0.530 4.872 4.340 0.003 0.000 0.288 283 L C -1.672 175.212 176.870 0.024 0.000 1.058 283 L CA -0.567 54.295 54.840 0.036 0.000 0.809 283 L CB 0.631 42.712 42.059 0.037 0.000 1.179 283 L HN 0.737 nan 8.230 nan 0.000 0.429 284 L N 5.829 127.041 121.223 -0.018 0.000 2.362 284 L HA 0.498 4.840 4.340 0.003 0.000 0.275 284 L C -0.742 176.099 176.870 -0.048 0.000 0.998 284 L CA -0.277 54.543 54.840 -0.034 0.000 0.820 284 L CB 1.999 44.035 42.059 -0.040 0.000 1.270 284 L HN 0.455 nan 8.230 nan 0.000 0.415 285 L N 2.800 123.995 121.223 -0.047 0.000 2.294 285 L HA 0.416 4.758 4.340 0.003 0.000 0.283 285 L C 0.175 177.070 176.870 0.041 0.000 1.015 285 L CA -0.407 54.409 54.840 -0.041 0.000 0.831 285 L CB 1.365 43.367 42.059 -0.096 0.000 1.217 285 L HN 0.616 nan 8.230 nan 0.000 0.420 286 E N 4.803 125.003 120.200 0.000 0.000 2.159 286 E HA 0.074 4.426 4.350 0.003 0.000 0.272 286 E C -0.201 176.409 176.600 0.016 0.000 1.138 286 E CA -0.137 56.267 56.400 0.006 0.000 0.915 286 E CB 0.625 30.309 29.700 -0.027 0.000 1.028 286 E HN 0.456 nan 8.360 nan 0.000 0.423 287 K N 3.036 123.461 120.400 0.042 0.000 2.244 287 K HA 0.111 4.433 4.320 0.003 0.000 0.242 287 K C 0.269 176.809 176.600 -0.101 0.000 1.082 287 K CA -0.054 56.185 56.287 -0.080 0.000 0.841 287 K CB 0.337 32.745 32.500 -0.153 0.000 1.129 287 K HN 0.446 nan 8.250 nan 0.000 0.516 288 E N 0.387 120.501 120.200 -0.144 0.000 2.830 288 E HA 0.008 4.360 4.350 0.003 0.000 0.333 288 E C -1.957 174.576 176.600 -0.112 0.000 0.974 288 E CA -0.167 56.170 56.400 -0.104 0.000 0.819 288 E CB 1.392 31.040 29.700 -0.088 0.000 1.293 288 E HN 0.566 nan 8.360 nan 0.000 0.419 289 E N 3.883 124.032 120.200 -0.085 0.000 2.175 289 E HA 0.248 4.600 4.350 0.003 0.000 0.278 289 E C -1.192 175.374 176.600 -0.056 0.000 0.969 289 E CA -0.452 55.902 56.400 -0.076 0.000 0.796 289 E CB 1.135 30.796 29.700 -0.065 0.000 1.104 289 E HN 0.476 nan 8.360 nan 0.000 0.395 290 Q N 5.049 124.817 119.800 -0.052 0.000 2.337 290 Q HA 0.310 4.652 4.340 0.003 0.000 0.260 290 Q C -0.444 175.537 176.000 -0.032 0.000 0.982 290 Q CA -0.778 55.002 55.803 -0.038 0.000 0.734 290 Q CB 1.119 29.835 28.738 -0.036 0.000 1.272 290 Q HN 0.519 nan 8.270 nan 0.000 0.461 291 M N 2.234 121.819 119.600 -0.026 0.000 2.134 291 M HA -0.163 4.319 4.480 0.003 0.000 0.346 291 M C -0.339 175.950 176.300 -0.018 0.000 0.999 291 M CA 1.113 56.400 55.300 -0.021 0.000 0.872 291 M CB -0.189 32.401 32.600 -0.016 0.000 1.633 291 M HN 0.765 nan 8.290 nan 0.000 0.468 292 D N 0.752 121.143 120.400 -0.015 0.000 2.701 292 D HA -0.111 4.530 4.640 0.003 0.000 0.235 292 D C 0.019 176.312 176.300 -0.013 0.000 1.155 292 D CA 1.758 55.752 54.000 -0.011 0.000 0.649 292 D CB -1.506 39.289 40.800 -0.008 0.000 1.050 292 D HN 1.007 nan 8.370 nan 0.000 0.425 293 G N -1.117 107.671 108.800 -0.019 0.000 2.167 293 G HA2 0.353 4.315 3.960 0.003 0.000 0.300 293 G HA3 0.353 4.315 3.960 0.003 0.000 0.300 293 G C 0.921 175.800 174.900 -0.035 0.000 1.842 293 G CA 0.137 45.224 45.100 -0.023 0.000 1.035 293 G HN 0.003 nan 8.290 nan 0.000 0.489 294 T N 0.291 114.825 114.554 -0.033 0.000 1.851 294 T HA -0.146 4.206 4.350 0.003 0.000 0.137 294 T C 1.380 176.032 174.700 -0.081 0.000 1.956 294 T CA 2.609 64.680 62.100 -0.048 0.000 1.002 294 T CB -0.832 68.013 68.868 -0.038 0.000 0.848 294 T HN 1.776 nan 8.240 nan 0.000 0.382 295 V N -3.767 116.080 119.914 -0.112 0.000 3.226 295 V HA 0.866 4.988 4.120 0.003 0.000 0.304 295 V C -0.382 175.611 176.094 -0.169 0.000 1.336 295 V CA -0.242 61.957 62.300 -0.169 0.000 1.066 295 V CB 1.731 33.387 31.823 -0.279 0.000 1.087 295 V HN 0.763 nan 8.190 nan 0.000 0.451 296 T N -0.161 114.276 114.554 -0.195 0.000 2.550 296 T HA 0.829 5.181 4.350 0.003 0.000 0.256 296 T C -2.050 172.537 174.700 -0.188 0.000 0.866 296 T CA -0.450 61.562 62.100 -0.146 0.000 1.163 296 T CB 1.438 70.254 68.868 -0.087 0.000 1.460 296 T HN 0.847 nan 8.240 nan 0.000 0.498 297 L N 2.048 123.198 121.223 -0.122 0.000 2.518 297 L HA 0.515 4.857 4.340 0.003 0.000 0.262 297 L C 0.413 177.216 176.870 -0.112 0.000 0.982 297 L CA -0.527 54.234 54.840 -0.133 0.000 0.873 297 L CB 1.866 43.786 42.059 -0.232 0.000 1.198 297 L HN 0.525 nan 8.230 nan 0.000 0.427 298 K N 0.924 121.270 120.400 -0.091 0.000 2.044 298 K HA 0.167 4.489 4.320 0.003 0.000 0.204 298 K C 0.142 176.692 176.600 -0.084 0.000 1.049 298 K CA 1.390 57.632 56.287 -0.075 0.000 0.945 298 K CB 0.269 32.733 32.500 -0.060 0.000 0.724 298 K HN 0.563 nan 8.250 nan 0.000 0.440 299 D N -1.469 118.877 120.400 -0.089 0.000 2.639 299 D HA 0.327 4.969 4.640 0.003 0.000 0.271 299 D C -1.613 174.624 176.300 -0.105 0.000 1.254 299 D CA -0.518 53.424 54.000 -0.096 0.000 0.810 299 D CB 1.200 41.957 40.800 -0.072 0.000 1.351 299 D HN 0.049 nan 8.370 nan 0.000 0.427 300 L N -0.610 120.545 121.223 -0.113 0.000 2.422 300 L HA 0.855 5.197 4.340 0.003 0.000 0.264 300 L C -0.945 175.873 176.870 -0.088 0.000 0.984 300 L CA -0.927 53.849 54.840 -0.107 0.000 0.819 300 L CB 2.428 44.402 42.059 -0.141 0.000 1.330 300 L HN 0.485 nan 8.230 nan 0.000 0.410 301 R N 1.746 122.204 120.500 -0.071 0.000 2.774 301 R HA 0.794 5.136 4.340 0.003 0.000 0.272 301 R C -2.082 174.188 176.300 -0.050 0.000 1.000 301 R CA -0.791 55.273 56.100 -0.061 0.000 0.906 301 R CB 2.309 32.581 30.300 -0.046 0.000 1.227 301 R HN 0.498 nan 8.270 nan 0.000 0.468 302 V N 1.677 121.561 119.914 -0.049 0.000 2.427 302 V HA 0.353 4.475 4.120 0.003 0.000 0.286 302 V C -0.298 175.828 176.094 0.053 0.000 1.034 302 V CA -0.483 61.803 62.300 -0.022 0.000 0.893 302 V CB 1.539 33.280 31.823 -0.136 0.000 0.982 302 V HN 0.745 nan 8.190 nan 0.000 0.452 303 E N 3.302 123.570 120.200 0.114 0.000 2.199 303 E HA 0.380 4.732 4.350 0.003 0.000 0.265 303 E C -1.148 175.577 176.600 0.210 0.000 0.882 303 E CA -1.009 55.459 56.400 0.114 0.000 0.759 303 E CB 2.298 31.991 29.700 -0.013 0.000 1.148 303 E HN 0.444 nan 8.360 nan 0.000 0.412 304 L N 4.689 126.033 121.223 0.201 0.000 2.462 304 L HA 0.046 4.388 4.340 0.003 0.000 0.272 304 L C 0.020 176.873 176.870 -0.028 0.000 1.166 304 L CA 0.827 55.667 54.840 -0.001 0.000 0.880 304 L CB 0.189 42.248 42.059 0.001 0.000 1.142 304 L HN 0.778 nan 8.230 nan 0.000 0.473 305 L N 4.579 125.734 121.223 -0.113 0.000 2.515 305 L HA 0.414 4.756 4.340 0.003 0.000 0.223 305 L C 1.061 177.959 176.870 0.046 0.000 1.079 305 L CA 0.566 55.411 54.840 0.007 0.000 0.857 305 L CB 0.041 42.078 42.059 -0.037 0.000 1.050 305 L HN 0.921 nan 8.230 nan 0.000 0.476 306 G N 0.591 109.335 108.800 -0.092 0.000 2.347 306 G HA2 -0.011 3.951 3.960 0.003 0.000 0.224 306 G HA3 -0.011 3.951 3.960 0.003 0.000 0.224 306 G C -1.530 173.291 174.900 -0.132 0.000 1.318 306 G CA -0.454 44.599 45.100 -0.078 0.000 1.016 306 G HN 0.052 nan 8.290 nan 0.000 0.469 307 E N -0.384 119.762 120.200 -0.089 0.000 2.278 307 E HA 0.642 4.994 4.350 0.003 0.000 0.272 307 E C -0.092 176.469 176.600 -0.064 0.000 0.890 307 E CA -0.032 56.317 56.400 -0.086 0.000 0.770 307 E CB 1.833 31.491 29.700 -0.069 0.000 1.212 307 E HN 0.967 nan 8.360 nan 0.000 0.415 308 T N 0.573 115.088 114.554 -0.065 0.000 2.841 308 T HA 0.551 4.903 4.350 0.003 0.000 0.276 308 T C 0.133 174.804 174.700 -0.048 0.000 1.003 308 T CA -0.823 61.242 62.100 -0.059 0.000 0.995 308 T CB 1.145 69.972 68.868 -0.067 0.000 1.260 308 T HN 0.301 nan 8.240 nan 0.000 0.581 309 S N 0.960 116.628 115.700 -0.055 0.000 2.569 309 S HA 0.237 4.709 4.470 0.003 0.000 0.274 309 S C 0.703 175.283 174.600 -0.033 0.000 1.353 309 S CA -0.699 57.477 58.200 -0.040 0.000 1.023 309 S CB -0.259 62.905 63.200 -0.059 0.000 0.876 309 S HN 0.557 nan 8.310 nan 0.000 0.540 310 I N 1.914 122.481 120.570 -0.006 0.000 2.828 310 I HA 0.005 4.177 4.170 0.003 0.000 0.292 310 I C 0.736 176.844 176.117 -0.016 0.000 1.206 310 I CA 0.174 61.475 61.300 0.001 0.000 1.420 310 I CB -1.615 36.411 38.000 0.044 0.000 1.368 310 I HN 0.594 nan 8.210 nan 0.000 0.556 311 A N 7.053 129.860 122.820 -0.022 0.000 2.260 311 A HA 0.352 4.674 4.320 0.003 0.000 0.314 311 A C 1.051 178.624 177.584 -0.018 0.000 1.257 311 A CA -0.571 51.444 52.037 -0.037 0.000 0.871 311 A CB 0.914 19.891 19.000 -0.038 0.000 1.166 311 A HN 0.787 nan 8.150 nan 0.000 0.522 312 E N 0.911 121.098 120.200 -0.021 0.000 2.060 312 E HA -0.026 4.326 4.350 0.003 0.000 0.189 312 E C -0.054 176.536 176.600 -0.017 0.000 0.974 312 E CA 0.917 57.309 56.400 -0.012 0.000 0.808 312 E CB 0.348 30.045 29.700 -0.006 0.000 0.768 312 E HN 0.656 nan 8.360 nan 0.000 0.453 313 c N 1.269 119.859 118.600 -0.018 0.000 2.408 313 c HA 0.584 5.156 4.570 0.003 0.000 0.321 313 c C -1.166 172.920 174.090 -0.008 0.000 1.245 313 c CA -0.779 55.553 56.329 0.004 0.000 1.523 313 c CB 0.106 42.651 42.510 0.059 0.000 2.178 313 c HN 0.149 nan 8.230 nan 0.000 0.488 314 L N 4.107 125.343 121.223 0.022 0.000 2.381 314 L HA 0.748 5.090 4.340 0.003 0.000 0.268 314 L C -0.034 176.900 176.870 0.107 0.000 0.997 314 L CA 0.235 55.104 54.840 0.048 0.000 0.818 314 L CB 2.229 44.318 42.059 0.051 0.000 1.310 314 L HN 0.748 nan 8.230 nan 0.000 0.416 315 T N 2.669 117.312 114.554 0.150 0.000 3.355 315 T HA 0.191 4.543 4.350 0.003 0.000 0.324 315 T C -1.083 173.726 174.700 0.183 0.000 0.932 315 T CA -0.426 61.775 62.100 0.169 0.000 1.032 315 T CB 0.231 69.197 68.868 0.163 0.000 1.027 315 T HN 0.269 nan 8.240 nan 0.000 0.456 316 Y N 4.555 124.886 120.300 0.052 0.000 2.702 316 Y HA 0.313 4.865 4.550 0.003 0.000 0.336 316 Y C 0.111 176.029 175.900 0.031 0.000 1.235 316 Y CA 0.182 58.302 58.100 0.034 0.000 1.492 316 Y CB 0.291 38.755 38.460 0.007 0.000 1.308 316 Y HN 0.612 nan 8.280 nan 0.000 0.589 317 L N 2.587 123.441 121.223 -0.615 0.000 2.644 317 L HA 0.215 4.557 4.340 0.003 0.000 0.213 317 L C 0.952 177.461 176.870 -0.602 0.000 1.622 317 L CA -0.786 53.800 54.840 -0.425 0.000 2.969 317 L CB -0.291 41.622 42.059 -0.244 0.000 2.760 317 L HN 0.502 nan 8.230 nan 0.000 0.871 318 D N 0.397 120.558 120.400 -0.399 0.000 1.905 318 D HA 0.009 4.651 4.640 0.003 0.000 0.296 318 D C -0.159 175.923 176.300 -0.363 0.000 1.073 318 D CA 0.370 54.204 54.000 -0.276 0.000 0.957 318 D CB 0.017 40.741 40.800 -0.128 0.000 1.165 318 D HN 0.269 nan 8.370 nan 0.000 0.422 319 N N 0.089 118.707 118.700 -0.137 0.000 2.500 319 N HA 0.301 5.043 4.740 0.003 0.000 0.236 319 N C 0.755 176.285 175.510 0.033 0.000 1.022 319 N CA 0.250 53.305 53.050 0.009 0.000 0.935 319 N CB 1.364 39.873 38.487 0.036 0.000 1.147 319 N HN 0.560 nan 8.380 nan 0.000 0.512 320 G N 0.865 109.767 108.800 0.170 0.000 2.189 320 G HA2 -0.311 3.651 3.960 0.003 0.000 0.267 320 G HA3 -0.311 3.651 3.960 0.003 0.000 0.267 320 G C 0.230 175.195 174.900 0.109 0.000 0.975 320 G CA 0.534 45.762 45.100 0.214 0.000 0.644 320 G HN 0.451 nan 8.290 nan 0.000 0.537 321 V N -0.090 119.786 119.914 -0.063 0.000 2.732 321 V HA 0.697 4.819 4.120 0.003 0.000 0.297 321 V C 0.572 176.627 176.094 -0.064 0.000 1.060 321 V CA -0.713 61.550 62.300 -0.061 0.000 1.038 321 V CB 1.807 33.575 31.823 -0.091 0.000 1.003 321 V HN 0.418 nan 8.190 nan 0.000 0.481 322 V N 3.864 123.801 119.914 0.038 0.000 2.733 322 V HA 0.378 4.500 4.120 0.003 0.000 0.306 322 V C -0.812 175.351 176.094 0.115 0.000 1.084 322 V CA -0.467 61.888 62.300 0.091 0.000 0.905 322 V CB 1.840 33.735 31.823 0.120 0.000 1.010 322 V HN 0.737 nan 8.190 nan 0.000 0.424 323 F N 5.267 125.218 119.950 0.001 0.000 2.410 323 F HA 0.627 5.156 4.527 0.003 0.000 0.348 323 F C -0.049 175.767 175.800 0.027 0.000 1.106 323 F CA -0.383 57.623 58.000 0.010 0.000 1.163 323 F CB 1.339 40.314 39.000 -0.041 0.000 1.129 323 F HN 0.246 nan 8.300 nan 0.000 0.516 324 V N 6.729 126.095 119.914 -0.914 0.000 2.277 324 V HA 0.366 4.488 4.120 0.003 0.000 0.269 324 V C 0.584 176.108 176.094 -0.949 0.000 1.036 324 V CA -0.630 61.268 62.300 -0.670 0.000 0.821 324 V CB 0.671 32.296 31.823 -0.331 0.000 1.052 324 V HN 0.989 nan 8.190 nan 0.000 0.462 325 G N 3.073 111.506 108.800 -0.611 0.000 2.358 325 G HA2 0.401 4.363 3.960 0.003 0.000 0.273 325 G HA3 0.401 4.363 3.960 0.003 0.000 0.273 325 G C -0.065 174.754 174.900 -0.133 0.000 1.215 325 G CA 0.045 44.997 45.100 -0.246 0.000 0.910 325 G HN 0.624 nan 8.290 nan 0.000 0.467 326 S N 1.155 116.802 115.700 -0.087 0.000 2.513 326 S HA 0.559 5.031 4.470 0.003 0.000 0.299 326 S C 0.915 175.510 174.600 -0.009 0.000 1.087 326 S CA -0.867 57.304 58.200 -0.047 0.000 1.012 326 S CB 1.886 65.053 63.200 -0.054 0.000 1.044 326 S HN 0.756 nan 8.310 nan 0.000 0.485 327 R N 3.136 123.634 120.500 -0.003 0.000 2.243 327 R HA 0.391 4.733 4.340 0.003 0.000 0.193 327 R C 1.045 177.346 176.300 0.002 0.000 0.933 327 R CA 0.222 56.322 56.100 0.001 0.000 1.105 327 R CB -0.276 30.026 30.300 0.003 0.000 1.169 327 R HN 0.672 nan 8.270 nan 0.000 0.599 328 L N 0.720 121.953 121.223 0.017 0.000 2.418 328 L HA 0.293 4.635 4.340 0.003 0.000 0.218 328 L C 0.958 177.828 176.870 -0.001 0.000 1.125 328 L CA 0.534 55.388 54.840 0.022 0.000 0.835 328 L CB 0.440 42.559 42.059 0.101 0.000 0.953 328 L HN 0.313 nan 8.230 nan 0.000 0.454 329 G N -1.839 106.957 108.800 -0.006 0.000 2.788 329 G HA2 0.283 4.245 3.960 0.003 0.000 0.293 329 G HA3 0.283 4.245 3.960 0.003 0.000 0.293 329 G C -1.617 173.269 174.900 -0.023 0.000 1.392 329 G CA -0.575 44.512 45.100 -0.022 0.000 0.810 329 G HN -0.228 nan 8.290 nan 0.000 0.508 330 D N 0.490 120.872 120.400 -0.031 0.000 2.455 330 D HA 0.389 5.031 4.640 0.003 0.000 0.241 330 D C 0.692 176.991 176.300 -0.002 0.000 1.138 330 D CA 0.543 54.536 54.000 -0.012 0.000 0.877 330 D CB 1.377 42.154 40.800 -0.039 0.000 1.187 330 D HN 0.132 nan 8.370 nan 0.000 0.451 331 S N 0.804 116.551 115.700 0.079 0.000 2.645 331 S HA 0.393 4.865 4.470 0.003 0.000 0.266 331 S C -0.037 174.638 174.600 0.126 0.000 1.258 331 S CA -0.654 57.589 58.200 0.072 0.000 0.990 331 S CB 0.839 64.152 63.200 0.188 0.000 0.967 331 S HN 0.495 nan 8.310 nan 0.000 0.556 332 Q N 0.536 120.323 119.800 -0.023 0.000 2.472 332 Q HA 0.535 4.877 4.340 0.003 0.000 0.281 332 Q C -2.084 173.932 176.000 0.027 0.000 0.997 332 Q CA -0.943 54.803 55.803 -0.094 0.000 0.828 332 Q CB 0.863 29.497 28.738 -0.173 0.000 1.443 332 Q HN 0.405 nan 8.270 nan 0.000 0.390 333 L N 1.943 123.197 121.223 0.053 0.000 2.275 333 L HA 0.652 4.994 4.340 0.003 0.000 0.288 333 L C -1.127 175.747 176.870 0.006 0.000 1.046 333 L CA -0.431 54.499 54.840 0.150 0.000 0.805 333 L CB 1.572 43.753 42.059 0.204 0.000 1.193 333 L HN 0.640 nan 8.230 nan 0.000 0.426 334 V N 4.459 124.384 119.914 0.018 0.000 2.962 334 V HA 0.623 4.745 4.120 0.003 0.000 0.313 334 V C -0.874 175.233 176.094 0.021 0.000 1.099 334 V CA -0.883 61.414 62.300 -0.004 0.000 0.971 334 V CB 2.577 34.389 31.823 -0.019 0.000 1.028 334 V HN 0.777 nan 8.190 nan 0.000 0.430 335 K N 3.846 124.259 120.400 0.021 0.000 2.292 335 K HA 0.689 5.011 4.320 0.003 0.000 0.257 335 K C -1.575 175.061 176.600 0.060 0.000 0.940 335 K CA -0.329 55.981 56.287 0.038 0.000 0.811 335 K CB 1.412 33.928 32.500 0.025 0.000 1.120 335 K HN 0.584 nan 8.250 nan 0.000 0.428 336 L N 3.986 125.263 121.223 0.091 0.000 2.295 336 L HA 0.501 4.843 4.340 0.003 0.000 0.285 336 L C -0.397 176.540 176.870 0.111 0.000 1.035 336 L CA -0.785 54.121 54.840 0.110 0.000 0.806 336 L CB 1.648 43.779 42.059 0.120 0.000 1.214 336 L HN 0.735 nan 8.230 nan 0.000 0.426 337 N N 0.446 119.228 118.700 0.137 0.000 2.328 337 N HA 0.356 5.098 4.740 0.003 0.000 0.299 337 N C 0.622 176.256 175.510 0.208 0.000 1.179 337 N CA -0.871 52.259 53.050 0.134 0.000 0.793 337 N CB 2.572 41.118 38.487 0.098 0.000 1.366 337 N HN 0.242 nan 8.380 nan 0.000 0.493 338 V N -0.706 119.301 119.914 0.156 0.000 2.667 338 V HA -0.057 4.064 4.120 0.003 0.000 0.252 338 V C -0.041 176.225 176.094 0.287 0.000 1.065 338 V CA 1.327 63.724 62.300 0.162 0.000 1.083 338 V CB -0.462 31.415 31.823 0.089 0.000 0.692 338 V HN 0.651 nan 8.190 nan 0.000 0.468 339 D N 0.795 121.315 120.400 0.199 0.000 2.217 339 D HA 0.389 5.031 4.640 0.003 0.000 0.243 339 D C 0.057 176.271 176.300 -0.144 0.000 1.054 339 D CA 0.104 54.155 54.000 0.086 0.000 0.838 339 D CB 1.965 42.779 40.800 0.024 0.000 1.162 339 D HN 0.362 nan 8.370 nan 0.000 0.472 340 S N 1.761 117.113 115.700 -0.580 0.000 2.593 340 S HA 0.195 4.667 4.470 0.003 0.000 0.269 340 S C 0.539 174.945 174.600 -0.324 0.000 1.334 340 S CA -0.713 57.028 58.200 -0.765 0.000 1.015 340 S CB 0.973 63.528 63.200 -1.075 0.000 0.912 340 S HN 0.534 nan 8.310 nan 0.000 0.541 341 N N 0.749 119.303 118.700 -0.244 0.000 2.452 341 N HA 0.121 4.863 4.740 0.003 0.000 0.296 341 N C 0.983 176.414 175.510 -0.132 0.000 1.304 341 N CA -0.419 52.545 53.050 -0.144 0.000 0.956 341 N CB -0.367 38.060 38.487 -0.099 0.000 1.106 341 N HN 0.685 nan 8.380 nan 0.000 0.555 342 E N -1.314 118.832 120.200 -0.090 0.000 2.284 342 E HA -0.315 4.037 4.350 0.003 0.000 0.200 342 E C 0.978 177.538 176.600 -0.066 0.000 1.008 342 E CA 1.545 57.901 56.400 -0.074 0.000 0.829 342 E CB -0.275 29.392 29.700 -0.054 0.000 0.744 342 E HN 0.842 nan 8.360 nan 0.000 0.491 343 Q N -0.295 119.462 119.800 -0.072 0.000 2.245 343 Q HA 0.203 4.545 4.340 0.003 0.000 0.250 343 Q C -0.120 175.839 176.000 -0.067 0.000 0.830 343 Q CA 0.648 56.416 55.803 -0.057 0.000 0.950 343 Q CB 1.163 29.868 28.738 -0.055 0.000 1.124 343 Q HN 0.247 nan 8.270 nan 0.000 0.502 344 G N 1.461 110.200 108.800 -0.101 0.000 2.740 344 G HA2 -0.078 3.884 3.960 0.003 0.000 0.267 344 G HA3 -0.078 3.884 3.960 0.003 0.000 0.267 344 G C -0.929 173.886 174.900 -0.142 0.000 0.971 344 G CA 0.139 45.156 45.100 -0.139 0.000 1.288 344 G HN 0.174 nan 8.290 nan 0.000 0.615 345 S N 0.497 116.073 115.700 -0.207 0.000 2.677 345 S HA 0.636 5.108 4.470 0.003 0.000 0.283 345 S C 0.574 175.051 174.600 -0.205 0.000 1.159 345 S CA -0.594 57.525 58.200 -0.134 0.000 1.001 345 S CB 0.867 64.022 63.200 -0.075 0.000 1.032 345 S HN 0.547 nan 8.310 nan 0.000 0.487 346 Y N 2.850 123.131 120.300 -0.031 0.000 2.529 346 Y HA 0.273 4.825 4.550 0.003 0.000 0.290 346 Y C 0.733 176.623 175.900 -0.018 0.000 1.177 346 Y CA 0.008 58.096 58.100 -0.019 0.000 1.305 346 Y CB 0.401 38.852 38.460 -0.015 0.000 1.047 346 Y HN 0.392 nan 8.280 nan 0.000 0.522 347 V N 1.108 121.074 119.914 0.087 0.000 2.394 347 V HA 0.375 4.497 4.120 0.003 0.000 0.282 347 V C -0.328 175.770 176.094 0.006 0.000 1.031 347 V CA -0.965 61.361 62.300 0.042 0.000 0.881 347 V CB 1.707 33.537 31.823 0.012 0.000 0.982 347 V HN -0.207 nan 8.190 nan 0.000 0.451 348 V N 4.158 124.075 119.914 0.005 0.000 2.482 348 V HA 0.619 4.741 4.120 0.003 0.000 0.295 348 V C 0.441 176.523 176.094 -0.019 0.000 1.026 348 V CA -0.794 61.499 62.300 -0.012 0.000 0.856 348 V CB 1.765 33.582 31.823 -0.010 0.000 1.001 348 V HN 1.011 nan 8.190 nan 0.000 0.424 349 A N 5.307 128.106 122.820 -0.035 0.000 2.540 349 A HA 0.439 4.761 4.320 0.003 0.000 0.239 349 A C 0.786 178.338 177.584 -0.054 0.000 1.061 349 A CA 0.440 52.445 52.037 -0.053 0.000 0.758 349 A CB 0.250 19.208 19.000 -0.071 0.000 0.991 349 A HN 0.914 nan 8.150 nan 0.000 0.502 350 M N 0.433 119.995 119.600 -0.064 0.000 2.858 350 M HA 0.227 4.709 4.480 0.003 0.000 0.255 350 M C 0.784 177.016 176.300 -0.113 0.000 1.336 350 M CA 0.967 56.230 55.300 -0.062 0.000 1.220 350 M CB 0.401 32.981 32.600 -0.032 0.000 1.252 350 M HN 0.831 nan 8.290 nan 0.000 0.538 351 E N -0.687 119.397 120.200 -0.193 0.000 2.366 351 E HA 0.350 4.702 4.350 0.003 0.000 0.278 351 E C -1.457 174.776 176.600 -0.612 0.000 0.923 351 E CA -0.369 55.809 56.400 -0.370 0.000 0.761 351 E CB 2.386 31.853 29.700 -0.389 0.000 1.231 351 E HN -0.140 nan 8.360 nan 0.000 0.443 352 T N 3.079 117.237 114.554 -0.659 0.000 2.812 352 T HA 0.510 4.862 4.350 0.003 0.000 0.282 352 T C -1.281 173.028 174.700 -0.652 0.000 0.990 352 T CA -0.419 61.343 62.100 -0.563 0.000 0.960 352 T CB 0.141 68.851 68.868 -0.264 0.000 0.948 352 T HN 0.233 nan 8.240 nan 0.000 0.438 353 F N 1.836 121.780 119.950 -0.010 0.000 2.458 353 F HA 0.417 4.946 4.527 0.003 0.000 0.336 353 F C 1.175 176.965 175.800 -0.017 0.000 1.114 353 F CA -1.242 56.759 58.000 0.003 0.000 0.987 353 F CB 1.082 40.109 39.000 0.044 0.000 1.130 353 F HN 0.385 nan 8.300 nan 0.000 0.458 354 T N -0.233 114.402 114.554 0.134 0.000 2.799 354 T HA 0.142 4.494 4.350 0.003 0.000 0.296 354 T C -0.317 174.410 174.700 0.044 0.000 0.947 354 T CA -0.640 61.483 62.100 0.037 0.000 1.141 354 T CB 0.314 69.177 68.868 -0.008 0.000 0.891 354 T HN 0.472 nan 8.240 nan 0.000 0.533 355 N N 3.300 122.009 118.700 0.015 0.000 2.501 355 N HA 0.225 4.967 4.740 0.003 0.000 0.245 355 N C 0.844 176.334 175.510 -0.032 0.000 0.974 355 N CA -0.999 52.053 53.050 0.003 0.000 0.941 355 N CB 0.445 38.934 38.487 0.005 0.000 1.122 355 N HN 0.641 nan 8.380 nan 0.000 0.507 356 L N 2.244 123.444 121.223 -0.039 0.000 2.642 356 L HA 0.093 4.435 4.340 0.003 0.000 0.236 356 L C 1.473 178.310 176.870 -0.055 0.000 1.169 356 L CA 0.504 55.308 54.840 -0.060 0.000 0.851 356 L CB -1.458 40.564 42.059 -0.061 0.000 0.968 356 L HN 0.786 nan 8.230 nan 0.000 0.453 357 G N 0.493 109.269 108.800 -0.040 0.000 2.645 357 G HA2 -0.256 3.706 3.960 0.003 0.000 0.246 357 G HA3 -0.256 3.706 3.960 0.003 0.000 0.246 357 G C -2.585 172.292 174.900 -0.038 0.000 1.322 357 G CA -0.748 44.328 45.100 -0.040 0.000 0.898 357 G HN 0.143 nan 8.290 nan 0.000 0.573 358 P HA 0.344 nan 4.420 nan 0.000 0.269 358 P C 0.270 177.541 177.300 -0.049 0.000 1.252 358 P CA -0.040 63.036 63.100 -0.039 0.000 0.780 358 P CB 0.090 31.757 31.700 -0.055 0.000 0.829 359 I N 4.084 124.634 120.570 -0.034 0.000 2.471 359 I HA -0.050 4.122 4.170 0.003 0.000 0.294 359 I C 1.620 177.722 176.117 -0.025 0.000 1.123 359 I CA 0.109 61.385 61.300 -0.041 0.000 1.336 359 I CB 0.507 38.484 38.000 -0.038 0.000 1.430 359 I HN 0.183 nan 8.210 nan 0.000 0.533 360 V N 4.711 124.602 119.914 -0.038 0.000 2.878 360 V HA 0.011 4.133 4.120 0.003 0.000 0.250 360 V C 0.365 176.458 176.094 -0.003 0.000 1.075 360 V CA 1.322 63.610 62.300 -0.020 0.000 1.096 360 V CB -0.253 31.541 31.823 -0.048 0.000 0.724 360 V HN 0.839 nan 8.190 nan 0.000 0.467 361 D N -1.287 119.103 120.400 -0.018 0.000 2.653 361 D HA 0.507 5.149 4.640 0.003 0.000 0.258 361 D C -0.880 175.407 176.300 -0.022 0.000 1.252 361 D CA -0.476 53.521 54.000 -0.004 0.000 0.777 361 D CB 1.629 42.436 40.800 0.013 0.000 1.339 361 D HN 0.113 nan 8.370 nan 0.000 0.422 362 M N 0.222 119.819 119.600 -0.005 0.000 2.949 362 M HA 0.726 5.208 4.480 0.003 0.000 0.270 362 M C -1.732 174.579 176.300 0.018 0.000 1.221 362 M CA -0.779 54.509 55.300 -0.021 0.000 0.818 362 M CB 2.025 34.604 32.600 -0.035 0.000 1.635 362 M HN 0.836 nan 8.290 nan 0.000 0.492 363 C N 0.315 119.623 119.300 0.014 0.000 3.284 363 C HA 0.843 5.305 4.460 0.003 0.000 0.338 363 C C -1.279 173.751 174.990 0.067 0.000 1.237 363 C CA -0.558 58.505 59.018 0.074 0.000 1.276 363 C CB 1.295 29.118 27.740 0.138 0.000 1.601 363 C HN 0.911 nan 8.230 nan 0.000 0.494 364 V N 2.148 122.119 119.914 0.095 0.000 2.532 364 V HA 0.847 4.969 4.120 0.003 0.000 0.295 364 V C -0.167 175.975 176.094 0.081 0.000 1.041 364 V CA -0.280 62.065 62.300 0.075 0.000 0.926 364 V CB 1.454 33.322 31.823 0.074 0.000 0.992 364 V HN 0.937 nan 8.190 nan 0.000 0.457 365 V N 3.081 123.016 119.914 0.035 0.000 2.852 365 V HA 0.349 4.471 4.120 0.003 0.000 0.300 365 V C -1.645 174.427 176.094 -0.036 0.000 1.205 365 V CA -0.929 61.342 62.300 -0.050 0.000 0.940 365 V CB 2.465 34.183 31.823 -0.174 0.000 1.047 365 V HN 1.039 nan 8.190 nan 0.000 0.429 366 D N 4.843 125.224 120.400 -0.031 0.000 2.412 366 D HA 0.430 5.072 4.640 0.003 0.000 0.224 366 D C 0.534 176.814 176.300 -0.035 0.000 1.093 366 D CA -0.416 53.579 54.000 -0.009 0.000 0.850 366 D CB 2.035 42.844 40.800 0.016 0.000 1.046 366 D HN 0.315 nan 8.370 nan 0.000 0.507 367 L N 0.985 122.187 121.223 -0.035 0.000 2.185 367 L HA -0.059 4.283 4.340 0.003 0.000 0.198 367 L C 1.916 178.780 176.870 -0.011 0.000 1.079 367 L CA 0.319 55.110 54.840 -0.081 0.000 0.780 367 L CB 0.016 42.074 42.059 -0.002 0.000 0.955 367 L HN 0.289 nan 8.230 nan 0.000 0.462 368 E N 0.758 120.977 120.200 0.031 0.000 2.501 368 E HA -0.252 4.100 4.350 0.003 0.000 0.203 368 E C 0.313 176.942 176.600 0.049 0.000 1.072 368 E CA 0.204 56.638 56.400 0.056 0.000 0.885 368 E CB -0.454 29.283 29.700 0.062 0.000 0.813 368 E HN 0.279 nan 8.360 nan 0.000 0.556 369 R N 0.995 121.516 120.500 0.036 0.000 3.188 369 R HA -0.268 4.074 4.340 0.003 0.000 0.247 369 R C 0.189 176.510 176.300 0.035 0.000 0.918 369 R CA 0.752 56.874 56.100 0.038 0.000 0.629 369 R CB -1.087 29.243 30.300 0.049 0.000 1.087 369 R HN 0.452 nan 8.270 nan 0.000 0.462 370 Q N -1.287 118.531 119.800 0.030 0.000 2.490 370 Q HA 0.310 4.652 4.340 0.003 0.000 0.190 370 Q C 1.376 177.388 176.000 0.020 0.000 0.969 370 Q CA 0.511 56.328 55.803 0.025 0.000 0.844 370 Q CB 0.499 29.251 28.738 0.023 0.000 1.050 370 Q HN 0.490 nan 8.270 nan 0.000 0.601 371 G N 0.549 109.359 108.800 0.017 0.000 4.496 371 G HA2 0.052 4.014 3.960 0.003 0.000 0.211 371 G HA3 0.052 4.014 3.960 0.003 0.000 0.211 371 G C -0.898 174.011 174.900 0.015 0.000 0.831 371 G CA -0.374 44.735 45.100 0.015 0.000 0.815 371 G HN 0.175 nan 8.290 nan 0.000 0.528 372 Q N 0.469 120.279 119.800 0.016 0.000 2.266 372 Q HA 0.725 5.067 4.340 0.003 0.000 0.261 372 Q C 0.281 176.294 176.000 0.022 0.000 0.985 372 Q CA -0.780 55.033 55.803 0.017 0.000 0.873 372 Q CB 1.480 30.226 28.738 0.013 0.000 1.306 372 Q HN 0.222 nan 8.270 nan 0.000 0.447 373 G N 1.924 110.739 108.800 0.025 0.000 2.395 373 G HA2 0.437 4.399 3.960 0.003 0.000 0.283 373 G HA3 0.437 4.399 3.960 0.003 0.000 0.283 373 G C -0.610 174.304 174.900 0.024 0.000 1.178 373 G CA -0.642 44.474 45.100 0.027 0.000 0.837 373 G HN 0.468 nan 8.290 nan 0.000 0.518 374 Q N -0.135 119.680 119.800 0.025 0.000 2.212 374 Q HA 0.532 4.874 4.340 0.003 0.000 0.238 374 Q C -0.985 175.022 176.000 0.012 0.000 0.955 374 Q CA -0.700 55.117 55.803 0.023 0.000 0.906 374 Q CB 2.573 31.334 28.738 0.039 0.000 1.215 374 Q HN 0.396 nan 8.270 nan 0.000 0.478 375 L N 0.186 121.402 121.223 -0.011 0.000 2.381 375 L HA 0.513 4.855 4.340 0.003 0.000 0.268 375 L C -1.516 175.310 176.870 -0.074 0.000 0.997 375 L CA -0.715 54.108 54.840 -0.028 0.000 0.818 375 L CB 2.310 44.350 42.059 -0.032 0.000 1.310 375 L HN 0.346 nan 8.230 nan 0.000 0.416 376 V N 2.271 122.124 119.914 -0.100 0.000 2.419 376 V HA 0.496 4.618 4.120 0.003 0.000 0.287 376 V C -0.321 175.664 176.094 -0.182 0.000 1.017 376 V CA -0.442 61.741 62.300 -0.195 0.000 0.844 376 V CB 1.591 33.212 31.823 -0.337 0.000 1.011 376 V HN 0.839 nan 8.190 nan 0.000 0.429 377 T N 0.615 115.065 114.554 -0.172 0.000 2.824 377 T HA 0.472 4.824 4.350 0.003 0.000 0.280 377 T C -0.087 174.526 174.700 -0.144 0.000 0.995 377 T CA -0.575 61.445 62.100 -0.133 0.000 1.009 377 T CB 1.199 69.997 68.868 -0.116 0.000 0.955 377 T HN 0.557 nan 8.240 nan 0.000 0.452 378 C N 3.588 122.820 119.300 -0.115 0.000 2.566 378 C HA 0.653 5.115 4.460 0.003 0.000 0.393 378 C C 0.789 175.712 174.990 -0.112 0.000 1.309 378 C CA -0.363 58.586 59.018 -0.114 0.000 1.801 378 C CB -1.164 26.522 27.740 -0.090 0.000 2.493 378 C HN 0.977 nan 8.230 nan 0.000 0.575 379 S N 1.457 117.079 115.700 -0.129 0.000 2.599 379 S HA 0.913 5.385 4.470 0.003 0.000 0.287 379 S C 0.232 174.752 174.600 -0.134 0.000 1.105 379 S CA 0.421 58.548 58.200 -0.121 0.000 0.899 379 S CB 1.787 64.915 63.200 -0.120 0.000 1.100 379 S HN 1.592 nan 8.310 nan 0.000 0.482 380 G N 0.667 109.396 108.800 -0.119 0.000 2.693 380 G HA2 0.385 4.347 3.960 0.003 0.000 0.226 380 G HA3 0.385 4.347 3.960 0.003 0.000 0.226 380 G C -0.423 174.370 174.900 -0.178 0.000 1.354 380 G CA -0.123 44.906 45.100 -0.119 0.000 0.873 380 G HN 1.733 nan 8.290 nan 0.000 0.562 381 A N -1.882 120.818 122.820 -0.200 0.000 2.601 381 A HA 0.991 5.313 4.320 0.003 0.000 0.291 381 A C 0.356 177.736 177.584 -0.340 0.000 1.075 381 A CA 0.409 52.169 52.037 -0.463 0.000 0.671 381 A CB 0.239 18.836 19.000 -0.671 0.000 1.277 381 A HN 2.317 nan 8.150 nan 0.000 0.417 382 F N 0.091 120.010 119.950 -0.051 0.000 1.744 382 F HA -0.444 4.085 4.527 0.004 0.000 0.110 382 F C 2.354 178.135 175.800 -0.032 0.000 0.378 382 F CA 1.892 59.868 58.000 -0.040 0.000 0.566 382 F CB -0.810 38.175 39.000 -0.025 0.000 0.707 382 F HN 0.862 nan 8.300 nan 0.000 0.655 383 K N 0.912 121.463 120.400 0.251 0.000 2.293 383 K HA -0.208 4.114 4.320 0.003 0.000 0.204 383 K C 0.979 177.615 176.600 0.060 0.000 1.045 383 K CA 2.173 58.555 56.287 0.160 0.000 0.933 383 K CB -0.458 32.135 32.500 0.155 0.000 0.736 383 K HN 0.653 nan 8.250 nan 0.000 0.463 384 E N 1.115 121.333 120.200 0.029 0.000 2.479 384 E HA 0.056 4.408 4.350 0.003 0.000 0.193 384 E C 0.815 177.339 176.600 -0.127 0.000 1.049 384 E CA 0.366 56.733 56.400 -0.054 0.000 0.870 384 E CB 0.167 29.856 29.700 -0.018 0.000 0.944 384 E HN 0.454 nan 8.360 nan 0.000 0.492 385 G N 2.009 110.727 108.800 -0.137 0.000 2.368 385 G HA2 0.172 4.134 3.960 0.003 0.000 0.233 385 G HA3 0.172 4.134 3.960 0.003 0.000 0.233 385 G C 0.170 174.944 174.900 -0.210 0.000 1.267 385 G CA 0.599 45.594 45.100 -0.174 0.000 0.873 385 G HN 0.205 nan 8.290 nan 0.000 0.539 386 S N 0.926 116.511 115.700 -0.191 0.000 2.611 386 S HA 0.629 5.101 4.470 0.003 0.000 0.268 386 S C -1.025 173.464 174.600 -0.184 0.000 1.156 386 S CA -1.088 56.988 58.200 -0.205 0.000 0.817 386 S CB 1.153 64.227 63.200 -0.211 0.000 1.122 386 S HN 0.605 nan 8.310 nan 0.000 0.466 387 L N 1.148 122.250 121.223 -0.203 0.000 2.331 387 L HA 0.719 5.061 4.340 0.003 0.000 0.275 387 L C -0.288 176.425 176.870 -0.261 0.000 1.022 387 L CA -1.016 53.688 54.840 -0.227 0.000 0.812 387 L CB 1.573 43.490 42.059 -0.238 0.000 1.257 387 L HN 0.608 nan 8.230 nan 0.000 0.435 388 R N 2.809 123.160 120.500 -0.249 0.000 2.480 388 R HA 0.535 4.877 4.340 0.003 0.000 0.306 388 R C -1.119 175.025 176.300 -0.262 0.000 0.958 388 R CA -0.823 55.129 56.100 -0.246 0.000 0.861 388 R CB 1.873 32.062 30.300 -0.185 0.000 1.171 388 R HN 0.399 nan 8.270 nan 0.000 0.445 389 I N 4.474 124.864 120.570 -0.300 0.000 2.315 389 I HA 0.383 4.555 4.170 0.003 0.000 0.291 389 I C 0.329 176.346 176.117 -0.167 0.000 1.006 389 I CA -0.036 61.119 61.300 -0.242 0.000 1.265 389 I CB 0.881 38.706 38.000 -0.292 0.000 1.387 389 I HN 0.343 nan 8.210 nan 0.000 0.475 390 I N 6.234 126.741 120.570 -0.105 0.000 2.436 390 I HA 0.571 4.743 4.170 0.003 0.000 0.289 390 I C -0.297 175.810 176.117 -0.016 0.000 1.010 390 I CA -0.782 60.473 61.300 -0.075 0.000 1.098 390 I CB 1.681 39.635 38.000 -0.076 0.000 1.266 390 I HN 0.523 nan 8.210 nan 0.000 0.434 391 R N 4.703 125.217 120.500 0.022 0.000 2.514 391 R HA 0.326 4.668 4.340 0.003 0.000 0.296 391 R C -1.211 175.125 176.300 0.060 0.000 1.012 391 R CA -0.668 55.466 56.100 0.058 0.000 0.897 391 R CB 1.998 32.365 30.300 0.111 0.000 1.184 391 R HN 0.749 nan 8.270 nan 0.000 0.440 392 N N 1.144 119.864 118.700 0.032 0.000 2.492 392 N HA 0.352 5.094 4.740 0.003 0.000 0.262 392 N C -0.065 175.453 175.510 0.013 0.000 1.202 392 N CA 2.036 55.097 53.050 0.018 0.000 0.926 392 N CB 0.690 39.178 38.487 0.000 0.000 1.078 392 N HN 0.844 nan 8.380 nan 0.000 0.454 393 G N 1.342 110.144 108.800 0.005 0.000 2.592 393 G HA2 -0.127 3.835 3.960 0.003 0.000 0.684 393 G HA3 -0.127 3.835 3.960 0.003 0.000 0.684 393 G C -1.070 173.819 174.900 -0.018 0.000 1.291 393 G CA -0.765 44.324 45.100 -0.019 0.000 0.891 393 G HN 0.554 nan 8.290 nan 0.000 0.544 394 I N 1.307 121.849 120.570 -0.047 0.000 2.406 394 I HA 0.629 4.801 4.170 0.003 0.000 0.290 394 I C 1.013 177.075 176.117 -0.091 0.000 0.999 394 I CA -0.234 61.031 61.300 -0.059 0.000 1.124 394 I CB 1.854 39.836 38.000 -0.030 0.000 1.289 394 I HN 0.894 nan 8.210 nan 0.000 0.441 395 G N 5.609 114.342 108.800 -0.112 0.000 2.509 395 G HA2 0.830 4.792 3.960 0.003 0.000 0.328 395 G HA3 0.830 4.792 3.960 0.003 0.000 0.328 395 G C -0.916 173.846 174.900 -0.230 0.000 1.194 395 G CA -0.508 44.518 45.100 -0.125 0.000 0.967 395 G HN 0.598 nan 8.290 nan 0.000 0.488 396 I N -2.666 117.756 120.570 -0.248 0.000 2.769 396 I HA 0.484 4.656 4.170 0.003 0.000 0.298 396 I C -0.988 174.936 176.117 -0.322 0.000 1.128 396 I CA -1.306 59.762 61.300 -0.387 0.000 1.031 396 I CB 2.330 40.194 38.000 -0.225 0.000 1.235 396 I HN 0.410 nan 8.210 nan 0.000 0.423 397 H N 2.995 122.076 119.070 0.019 0.000 2.594 397 H HA 0.355 4.913 4.556 0.003 0.000 0.304 397 H C -0.688 174.738 175.328 0.162 0.000 1.068 397 H CA -0.663 55.448 56.048 0.106 0.000 1.308 397 H CB 0.793 30.665 29.762 0.182 0.000 1.409 397 H HN 0.784 nan 8.280 nan 0.000 0.460 398 E N 3.066 123.415 120.200 0.250 0.000 2.223 398 E HA 0.113 4.465 4.350 0.003 0.000 0.282 398 E C -0.276 176.541 176.600 0.362 0.000 1.046 398 E CA -0.296 56.223 56.400 0.199 0.000 0.857 398 E CB 0.816 30.569 29.700 0.088 0.000 1.055 398 E HN 0.695 nan 8.360 nan 0.000 0.409 399 H N 2.249 121.351 119.070 0.052 0.000 2.460 399 H HA 0.300 4.858 4.556 0.003 0.000 0.297 399 H C 0.234 175.644 175.328 0.138 0.000 1.023 399 H CA 0.069 56.199 56.048 0.136 0.000 1.321 399 H CB 0.903 30.825 29.762 0.266 0.000 1.455 399 H HN 0.635 nan 8.280 nan 0.000 0.539 400 A N 0.328 123.248 122.820 0.167 0.000 2.435 400 A HA 0.577 4.899 4.320 0.003 0.000 0.296 400 A C -0.719 176.894 177.584 0.048 0.000 1.147 400 A CA -0.534 51.571 52.037 0.114 0.000 0.775 400 A CB 1.979 21.049 19.000 0.117 0.000 1.340 400 A HN 0.080 nan 8.150 nan 0.000 0.427 401 S N 0.411 116.139 115.700 0.046 0.000 2.386 401 S HA 0.414 4.886 4.470 0.003 0.000 0.152 401 S C -1.334 173.284 174.600 0.030 0.000 1.511 401 S CA -0.269 57.948 58.200 0.028 0.000 1.246 401 S CB -0.569 62.650 63.200 0.032 0.000 1.338 401 S HN 0.455 nan 8.310 nan 0.000 0.409 402 I N 3.102 123.687 120.570 0.025 0.000 2.297 402 I HA 0.254 4.426 4.170 0.003 0.000 0.291 402 I C -0.471 175.671 176.117 0.041 0.000 1.033 402 I CA -0.412 60.910 61.300 0.037 0.000 1.253 402 I CB 1.003 39.027 38.000 0.040 0.000 1.396 402 I HN 0.340 nan 8.210 nan 0.000 0.476 403 D N 8.217 128.644 120.400 0.045 0.000 2.349 403 D HA 0.256 4.898 4.640 0.003 0.000 0.266 403 D C -0.417 175.931 176.300 0.079 0.000 1.293 403 D CA 0.512 54.541 54.000 0.049 0.000 0.926 403 D CB 0.210 41.036 40.800 0.043 0.000 1.090 403 D HN 0.332 nan 8.370 nan 0.000 0.502 404 L N 4.396 125.668 121.223 0.082 0.000 2.481 404 L HA 0.290 4.632 4.340 0.003 0.000 0.255 404 L C -2.311 174.575 176.870 0.027 0.000 1.192 404 L CA -1.751 53.175 54.840 0.144 0.000 0.924 404 L CB 1.659 43.860 42.059 0.237 0.000 1.179 404 L HN 0.081 nan 8.230 nan 0.000 0.491 405 P HA 0.126 nan 4.420 nan 0.000 0.244 405 P C 0.790 177.976 177.300 -0.189 0.000 1.723 405 P CA 0.432 63.498 63.100 -0.058 0.000 1.110 405 P CB 0.528 32.222 31.700 -0.010 0.000 1.972 406 G N 0.873 109.453 108.800 -0.365 0.000 4.286 406 G HA2 -0.028 3.934 3.960 0.003 0.000 0.204 406 G HA3 -0.028 3.934 3.960 0.003 0.000 0.204 406 G C -0.003 174.544 174.900 -0.589 0.000 1.218 406 G CA -0.442 44.254 45.100 -0.674 0.000 1.010 406 G HN 0.280 nan 8.290 nan 0.000 0.384 407 I N 2.445 122.649 120.570 -0.611 0.000 3.461 407 I HA -0.156 4.016 4.170 0.003 0.000 0.351 407 I C 0.770 176.797 176.117 -0.149 0.000 1.167 407 I CA 0.752 61.906 61.300 -0.245 0.000 1.677 407 I CB 0.206 38.185 38.000 -0.036 0.000 1.231 407 I HN 0.094 nan 8.210 nan 0.000 0.443 408 K N 5.144 125.392 120.400 -0.253 0.000 2.438 408 K HA 0.403 4.725 4.320 0.003 0.000 0.205 408 K C 0.466 176.400 176.600 -1.109 0.000 1.033 408 K CA 0.096 56.120 56.287 -0.438 0.000 1.089 408 K CB 1.307 33.738 32.500 -0.115 0.000 0.857 408 K HN 0.919 nan 8.250 nan 0.000 0.522 409 G N 1.044 109.269 108.800 -0.960 0.000 2.328 409 G HA2 0.442 4.404 3.960 0.003 0.000 0.295 409 G HA3 0.442 4.404 3.960 0.003 0.000 0.295 409 G C -2.235 172.267 174.900 -0.664 0.000 1.413 409 G CA -0.938 43.558 45.100 -1.007 0.000 0.817 409 G HN 0.052 nan 8.290 nan 0.000 0.546 410 L N -3.997 116.613 121.223 -1.022 0.000 2.781 410 L HA 0.749 5.091 4.340 0.003 0.000 0.256 410 L C -1.483 174.924 176.870 -0.773 0.000 0.930 410 L CA -1.203 53.304 54.840 -0.555 0.000 0.967 410 L CB 0.880 42.784 42.059 -0.258 0.000 1.551 410 L HN 0.750 nan 8.230 nan 0.000 0.445 411 W N 1.147 122.346 121.300 -0.169 0.000 2.864 411 W HA 0.589 5.251 4.660 0.004 0.000 0.343 411 W C -2.270 174.151 176.519 -0.162 0.000 1.109 411 W CA -1.555 55.662 57.345 -0.213 0.000 1.192 411 W CB 2.330 31.597 29.460 -0.320 0.000 1.426 411 W HN 0.304 nan 8.180 nan 0.000 0.529 412 P HA 0.094 nan 4.420 nan 0.000 0.271 412 P C -0.804 176.543 177.300 0.079 0.000 1.233 412 P CA 0.134 63.126 63.100 -0.180 0.000 0.795 412 P CB 1.172 32.537 31.700 -0.558 0.000 0.936 413 L N 0.849 122.208 121.223 0.226 0.000 2.727 413 L HA 0.230 4.572 4.340 0.003 0.000 0.255 413 L C -0.274 176.822 176.870 0.376 0.000 0.983 413 L CA -0.371 54.675 54.840 0.343 0.000 0.945 413 L CB 0.717 42.896 42.059 0.200 0.000 1.242 413 L HN 0.309 nan 8.230 nan 0.000 0.449 414 R N 1.455 122.152 120.500 0.328 0.000 2.343 414 R HA 0.351 4.693 4.340 0.003 0.000 0.326 414 R C 0.686 176.998 176.300 0.019 0.000 1.055 414 R CA 0.147 56.244 56.100 -0.004 0.000 0.961 414 R CB 0.759 30.866 30.300 -0.323 0.000 0.978 414 R HN 0.477 nan 8.270 nan 0.000 0.443 415 S N 1.300 117.012 115.700 0.020 0.000 2.527 415 S HA -0.068 4.404 4.470 0.003 0.000 0.222 415 S C -0.177 174.413 174.600 -0.018 0.000 0.985 415 S CA 0.353 58.553 58.200 -0.000 0.000 0.921 415 S CB -0.060 63.142 63.200 0.002 0.000 0.772 415 S HN 0.744 nan 8.310 nan 0.000 0.529 416 D N 0.382 120.765 120.400 -0.028 0.000 2.408 416 D HA 0.394 5.036 4.640 0.003 0.000 0.243 416 D C -2.288 173.986 176.300 -0.044 0.000 1.075 416 D CA -2.262 51.719 54.000 -0.032 0.000 0.832 416 D CB 1.716 42.499 40.800 -0.029 0.000 1.162 416 D HN -0.081 nan 8.370 nan 0.000 0.515 417 P HA 0.032 nan 4.420 nan 0.000 0.251 417 P C -0.039 177.242 177.300 -0.031 0.000 1.251 417 P CA 0.567 63.652 63.100 -0.025 0.000 0.763 417 P CB 0.196 31.890 31.700 -0.008 0.000 1.067 418 N N 0.226 118.903 118.700 -0.040 0.000 2.648 418 N HA 0.070 4.812 4.740 0.003 0.000 0.234 418 N C 0.427 175.903 175.510 -0.056 0.000 1.034 418 N CA -0.240 52.788 53.050 -0.037 0.000 1.205 418 N CB -0.293 38.178 38.487 -0.026 0.000 1.573 418 N HN 0.090 nan 8.380 nan 0.000 0.615 419 R N 2.167 122.630 120.500 -0.061 0.000 2.523 419 R HA -0.011 4.331 4.340 0.003 0.000 0.281 419 R C -0.088 176.124 176.300 -0.145 0.000 0.969 419 R CA 0.495 56.549 56.100 -0.076 0.000 1.093 419 R CB 0.082 30.346 30.300 -0.060 0.000 0.917 419 R HN 0.369 nan 8.270 nan 0.000 0.408 420 E N 0.726 120.847 120.200 -0.131 0.000 2.512 420 E HA -0.053 4.299 4.350 0.003 0.000 0.195 420 E C 0.040 176.463 176.600 -0.295 0.000 1.083 420 E CA 0.583 56.861 56.400 -0.204 0.000 0.873 420 E CB 0.309 29.967 29.700 -0.069 0.000 0.897 420 E HN 0.734 nan 8.360 nan 0.000 0.514 421 T N -1.577 112.850 114.554 -0.213 0.000 2.909 421 T HA 0.333 4.685 4.350 0.003 0.000 0.286 421 T C -0.428 174.147 174.700 -0.208 0.000 1.002 421 T CA -0.719 61.325 62.100 -0.093 0.000 1.074 421 T CB 0.702 69.588 68.868 0.030 0.000 0.984 421 T HN -0.113 nan 8.240 nan 0.000 0.495 422 Y N 1.383 121.714 120.300 0.053 0.000 2.446 422 Y HA 0.459 5.011 4.550 0.003 0.000 0.338 422 Y C 0.813 176.747 175.900 0.057 0.000 1.055 422 Y CA -1.448 56.683 58.100 0.051 0.000 1.101 422 Y CB 1.550 40.042 38.460 0.053 0.000 1.221 422 Y HN 0.817 nan 8.280 nan 0.000 0.460 423 D N -1.418 119.095 120.400 0.189 0.000 2.503 423 D HA 0.134 4.776 4.640 0.003 0.000 0.218 423 D C -0.513 175.857 176.300 0.117 0.000 1.183 423 D CA -0.026 54.055 54.000 0.135 0.000 0.827 423 D CB 0.192 41.041 40.800 0.082 0.000 1.034 423 D HN 0.413 nan 8.370 nan 0.000 0.510 424 T N 0.381 115.016 114.554 0.135 0.000 2.909 424 T HA 0.531 4.883 4.350 0.003 0.000 0.299 424 T C -1.005 173.756 174.700 0.102 0.000 1.073 424 T CA -0.665 61.498 62.100 0.104 0.000 0.999 424 T CB 2.248 71.168 68.868 0.087 0.000 1.098 424 T HN 0.027 nan 8.240 nan 0.000 0.477 425 L N 3.203 124.475 121.223 0.082 0.000 2.470 425 L HA 0.490 4.832 4.340 0.003 0.000 0.253 425 L C -0.817 176.116 176.870 0.105 0.000 1.163 425 L CA -0.459 54.423 54.840 0.070 0.000 0.932 425 L CB 0.665 42.732 42.059 0.014 0.000 1.213 425 L HN 0.509 nan 8.230 nan 0.000 0.485 426 V N 4.533 124.545 119.914 0.163 0.000 2.585 426 V HA 0.204 4.326 4.120 0.003 0.000 0.296 426 V C -0.056 176.181 176.094 0.238 0.000 1.035 426 V CA -0.131 62.288 62.300 0.198 0.000 1.084 426 V CB 0.798 32.780 31.823 0.265 0.000 0.953 426 V HN 0.567 nan 8.190 nan 0.000 0.483 427 L N 2.812 124.159 121.223 0.206 0.000 2.439 427 L HA 0.663 5.005 4.340 0.003 0.000 0.270 427 L C -0.115 176.907 176.870 0.253 0.000 0.972 427 L CA -0.418 54.545 54.840 0.206 0.000 0.836 427 L CB 1.528 43.678 42.059 0.152 0.000 1.255 427 L HN 0.384 nan 8.230 nan 0.000 0.404 428 S N 2.023 117.891 115.700 0.279 0.000 2.558 428 S HA 0.530 5.002 4.470 0.003 0.000 0.287 428 S C -0.505 174.250 174.600 0.259 0.000 1.321 428 S CA 0.383 58.735 58.200 0.254 0.000 1.048 428 S CB 0.024 63.373 63.200 0.249 0.000 0.844 428 S HN 0.531 nan 8.310 nan 0.000 0.512 429 F N 1.898 121.881 119.950 0.055 0.000 2.790 429 F HA 0.437 4.966 4.527 0.003 0.000 0.337 429 F C -0.164 175.674 175.800 0.064 0.000 1.163 429 F CA -1.074 56.952 58.000 0.044 0.000 0.997 429 F CB 1.204 40.226 39.000 0.037 0.000 1.437 429 F HN 0.235 nan 8.300 nan 0.000 0.512 430 V N 2.926 122.890 119.914 0.083 0.000 2.032 430 V HA 0.177 4.299 4.120 0.003 0.000 0.233 430 V C 0.712 176.907 176.094 0.169 0.000 1.578 430 V CA 1.083 63.436 62.300 0.089 0.000 1.560 430 V CB -1.304 30.540 31.823 0.035 0.000 1.556 430 V HN 1.051 nan 8.190 nan 0.000 0.496 431 G N 2.250 111.151 108.800 0.169 0.000 2.225 431 G HA2 -0.225 3.737 3.960 0.003 0.000 0.264 431 G HA3 -0.225 3.737 3.960 0.003 0.000 0.264 431 G C -0.148 174.824 174.900 0.120 0.000 1.060 431 G CA 0.479 45.660 45.100 0.135 0.000 0.833 431 G HN 0.602 nan 8.290 nan 0.000 0.498 432 Q N -1.792 118.105 119.800 0.161 0.000 2.893 432 Q HA 0.771 5.113 4.340 0.003 0.000 0.331 432 Q C -0.998 175.061 176.000 0.098 0.000 0.893 432 Q CA -0.654 55.214 55.803 0.108 0.000 0.783 432 Q CB 1.909 30.709 28.738 0.103 0.000 1.440 432 Q HN 0.272 nan 8.270 nan 0.000 0.508 433 T N 1.049 115.618 114.554 0.025 0.000 3.172 433 T HA 0.410 4.762 4.350 0.003 0.000 0.320 433 T C -1.314 173.357 174.700 -0.049 0.000 1.085 433 T CA -0.777 61.339 62.100 0.027 0.000 1.052 433 T CB 1.107 69.988 68.868 0.022 0.000 1.107 433 T HN 0.254 nan 8.240 nan 0.000 0.458 434 R N 1.865 122.307 120.500 -0.096 0.000 2.474 434 R HA 0.737 5.079 4.340 0.003 0.000 0.295 434 R C -0.361 175.941 176.300 0.004 0.000 0.980 434 R CA -0.645 55.389 56.100 -0.110 0.000 0.934 434 R CB 1.937 32.083 30.300 -0.258 0.000 1.101 434 R HN 0.403 nan 8.270 nan 0.000 0.469 435 V N 3.256 123.182 119.914 0.021 0.000 2.973 435 V HA 0.454 4.576 4.120 0.003 0.000 0.314 435 V C 0.415 176.529 176.094 0.034 0.000 1.066 435 V CA -0.744 61.592 62.300 0.060 0.000 1.021 435 V CB 1.552 33.411 31.823 0.059 0.000 1.076 435 V HN 0.549 nan 8.190 nan 0.000 0.462 436 L N 3.464 124.716 121.223 0.048 0.000 2.514 436 L HA 0.359 4.701 4.340 0.003 0.000 0.257 436 L C -0.601 176.298 176.870 0.048 0.000 1.101 436 L CA -0.233 54.632 54.840 0.042 0.000 0.911 436 L CB 1.324 43.410 42.059 0.046 0.000 1.162 436 L HN 0.548 nan 8.230 nan 0.000 0.477 437 M N 3.238 122.859 119.600 0.035 0.000 2.228 437 M HA 0.327 4.809 4.480 0.003 0.000 0.351 437 M C -0.375 175.955 176.300 0.049 0.000 1.233 437 M CA 0.268 55.589 55.300 0.036 0.000 1.129 437 M CB 0.961 33.572 32.600 0.018 0.000 1.604 437 M HN 0.339 nan 8.290 nan 0.000 0.457 438 L N 2.479 123.739 121.223 0.062 0.000 2.346 438 L HA 0.387 4.729 4.340 0.003 0.000 0.276 438 L C 0.854 177.756 176.870 0.053 0.000 1.006 438 L CA -0.215 54.669 54.840 0.074 0.000 0.817 438 L CB 1.522 43.652 42.059 0.118 0.000 1.272 438 L HN 0.668 nan 8.230 nan 0.000 0.421 439 N N 1.358 120.083 118.700 0.041 0.000 2.410 439 N HA 0.150 4.892 4.740 0.003 0.000 0.231 439 N C 0.863 176.379 175.510 0.011 0.000 1.172 439 N CA 0.666 53.729 53.050 0.021 0.000 0.849 439 N CB 0.257 38.753 38.487 0.015 0.000 1.116 439 N HN 0.945 nan 8.380 nan 0.000 0.485 440 G N 1.644 110.457 108.800 0.021 0.000 4.731 440 G HA2 -0.351 3.611 3.960 0.003 0.000 0.266 440 G HA3 -0.351 3.611 3.960 0.003 0.000 0.266 440 G C 0.682 175.555 174.900 -0.044 0.000 1.635 440 G CA 0.371 45.468 45.100 -0.005 0.000 1.229 440 G HN 0.559 nan 8.290 nan 0.000 0.663 441 E N 0.878 121.015 120.200 -0.104 0.000 2.372 441 E HA 0.452 4.804 4.350 0.003 0.000 0.201 441 E C 1.014 177.613 176.600 -0.000 0.000 0.938 441 E CA 0.323 56.586 56.400 -0.228 0.000 0.944 441 E CB 0.259 29.774 29.700 -0.308 0.000 0.937 441 E HN 0.579 nan 8.360 nan 0.000 0.495 442 E N 0.984 121.197 120.200 0.022 0.000 2.392 442 E HA 0.233 4.585 4.350 0.003 0.000 0.256 442 E C -0.823 175.831 176.600 0.089 0.000 1.145 442 E CA -0.225 56.208 56.400 0.055 0.000 0.929 442 E CB 1.329 31.046 29.700 0.029 0.000 0.998 442 E HN -0.046 nan 8.360 nan 0.000 0.442 443 V N 1.846 121.807 119.914 0.078 0.000 2.604 443 V HA 0.395 4.517 4.120 0.003 0.000 0.305 443 V C -0.426 175.696 176.094 0.047 0.000 1.043 443 V CA -0.506 61.838 62.300 0.073 0.000 0.888 443 V CB 1.740 33.608 31.823 0.076 0.000 0.995 443 V HN 0.676 nan 8.190 nan 0.000 0.429 444 E N 2.967 123.191 120.200 0.040 0.000 2.343 444 E HA 0.325 4.677 4.350 0.003 0.000 0.286 444 E C -1.178 175.432 176.600 0.017 0.000 0.915 444 E CA -0.555 55.860 56.400 0.024 0.000 0.784 444 E CB 1.848 31.561 29.700 0.021 0.000 1.251 444 E HN 0.908 nan 8.360 nan 0.000 0.407 445 E N 3.304 123.507 120.200 0.005 0.000 2.081 445 E HA 0.381 4.733 4.350 0.003 0.000 0.281 445 E C -0.378 176.216 176.600 -0.009 0.000 0.986 445 E CA -0.527 55.869 56.400 -0.007 0.000 0.796 445 E CB 1.391 31.075 29.700 -0.027 0.000 1.085 445 E HN 0.467 nan 8.360 nan 0.000 0.398 446 T N -0.053 114.498 114.554 -0.006 0.000 2.724 446 T HA 0.330 4.682 4.350 0.003 0.000 0.274 446 T C 0.216 174.912 174.700 -0.007 0.000 0.984 446 T CA -1.067 61.028 62.100 -0.008 0.000 1.024 446 T CB 1.101 69.964 68.868 -0.008 0.000 1.320 446 T HN 0.599 nan 8.240 nan 0.000 0.555 447 E N -0.075 120.119 120.200 -0.009 0.000 2.421 447 E HA 0.564 4.916 4.350 0.003 0.000 0.253 447 E C -1.218 175.369 176.600 -0.022 0.000 1.277 447 E CA -0.899 55.497 56.400 -0.006 0.000 0.968 447 E CB 0.479 30.175 29.700 -0.007 0.000 1.040 447 E HN 0.420 nan 8.360 nan 0.000 0.512 448 L N 0.520 121.726 121.223 -0.027 0.000 2.592 448 L HA 0.219 4.561 4.340 0.003 0.000 0.258 448 L C -0.979 175.829 176.870 -0.102 0.000 0.926 448 L CA -0.556 54.213 54.840 -0.118 0.000 0.885 448 L CB 2.161 44.078 42.059 -0.237 0.000 1.380 448 L HN 0.646 nan 8.230 nan 0.000 0.415 449 M N 2.936 122.457 119.600 -0.132 0.000 2.251 449 M HA 0.183 4.665 4.480 0.003 0.000 0.343 449 M C 1.486 177.799 176.300 0.022 0.000 1.245 449 M CA 1.220 56.488 55.300 -0.054 0.000 1.061 449 M CB -0.536 32.028 32.600 -0.060 0.000 1.723 449 M HN 0.895 nan 8.290 nan 0.000 0.449 450 G N 2.941 111.813 108.800 0.120 0.000 2.233 450 G HA2 -0.270 3.692 3.960 0.003 0.000 0.270 450 G HA3 -0.270 3.692 3.960 0.003 0.000 0.270 450 G C -0.396 174.783 174.900 0.464 0.000 1.011 450 G CA -0.033 45.202 45.100 0.225 0.000 0.762 450 G HN 0.553 nan 8.290 nan 0.000 0.511 451 F N 0.491 120.435 119.950 -0.010 0.000 2.513 451 F HA 0.459 4.988 4.527 0.003 0.000 0.358 451 F C 0.651 176.439 175.800 -0.021 0.000 1.118 451 F CA -1.679 56.311 58.000 -0.016 0.000 1.037 451 F CB 1.437 40.430 39.000 -0.011 0.000 1.276 451 F HN 0.237 nan 8.300 nan 0.000 0.446 452 V N 0.769 120.719 119.914 0.059 0.000 2.599 452 V HA 0.113 4.235 4.120 0.003 0.000 0.300 452 V C 0.708 176.810 176.094 0.013 0.000 1.034 452 V CA -0.158 62.154 62.300 0.020 0.000 1.115 452 V CB 0.534 32.342 31.823 -0.025 0.000 0.934 452 V HN 0.744 nan 8.190 nan 0.000 0.485 453 D N 1.894 122.303 120.400 0.015 0.000 2.327 453 D HA -0.097 4.545 4.640 0.003 0.000 0.205 453 D C 1.319 177.611 176.300 -0.013 0.000 0.989 453 D CA 0.737 54.737 54.000 -0.000 0.000 0.873 453 D CB -0.111 40.687 40.800 -0.003 0.000 0.955 453 D HN 0.677 nan 8.370 nan 0.000 0.515 454 D N -0.150 120.244 120.400 -0.010 0.000 2.234 454 D HA -0.126 4.516 4.640 0.003 0.000 0.205 454 D C 0.703 176.994 176.300 -0.015 0.000 0.962 454 D CA 0.736 54.731 54.000 -0.009 0.000 0.855 454 D CB -0.218 40.578 40.800 -0.007 0.000 0.951 454 D HN 0.145 nan 8.370 nan 0.000 0.500 455 Q N 0.121 119.900 119.800 -0.036 0.000 2.193 455 Q HA 0.225 4.567 4.340 0.003 0.000 0.246 455 Q C -0.466 175.478 176.000 -0.093 0.000 0.959 455 Q CA -0.457 55.303 55.803 -0.072 0.000 0.904 455 Q CB 1.582 30.258 28.738 -0.103 0.000 1.238 455 Q HN 0.266 nan 8.270 nan 0.000 0.469 456 Q N 1.281 120.983 119.800 -0.163 0.000 2.503 456 Q HA 0.184 4.526 4.340 0.003 0.000 0.227 456 Q C -0.898 174.859 176.000 -0.405 0.000 1.109 456 Q CA -0.134 55.567 55.803 -0.170 0.000 0.922 456 Q CB 0.387 29.085 28.738 -0.067 0.000 1.249 456 Q HN 0.495 nan 8.270 nan 0.000 0.530 457 T N 3.979 118.410 114.554 -0.205 0.000 2.891 457 T HA -0.056 4.296 4.350 0.003 0.000 0.296 457 T C -0.031 174.686 174.700 0.027 0.000 1.025 457 T CA 0.521 62.505 62.100 -0.194 0.000 1.149 457 T CB 0.131 68.936 68.868 -0.106 0.000 1.007 457 T HN 0.390 nan 8.240 nan 0.000 0.528 458 F N 2.432 122.363 119.950 -0.031 0.000 2.683 458 F HA 0.553 5.082 4.527 0.003 0.000 0.306 458 F C -0.043 175.714 175.800 -0.070 0.000 1.102 458 F CA -1.187 56.867 58.000 0.089 0.000 1.244 458 F CB -0.411 38.645 39.000 0.094 0.000 1.029 458 F HN 0.546 nan 8.300 nan 0.000 0.545 459 F N -2.091 117.363 119.950 -0.826 0.000 2.919 459 F HA 0.347 4.876 4.527 0.003 0.000 0.330 459 F C -0.459 174.531 175.800 -1.350 0.000 1.136 459 F CA -1.248 55.790 58.000 -1.602 0.000 0.901 459 F CB 0.616 39.219 39.000 -0.662 0.000 1.321 459 F HN -0.305 nan 8.300 nan 0.000 0.449 460 C N 2.295 120.664 119.300 -1.552 0.000 4.028 460 C HA 0.400 4.862 4.460 0.003 0.000 0.347 460 C C 0.984 175.716 174.990 -0.430 0.000 2.868 460 C CA 0.007 58.580 59.018 -0.741 0.000 1.499 460 C CB -1.246 26.191 27.740 -0.505 0.000 2.600 460 C HN 1.318 nan 8.230 nan 0.000 0.377 461 G N 1.318 109.789 108.800 -0.548 0.000 2.518 461 G HA2 -0.043 3.919 3.960 0.003 0.000 0.467 461 G HA3 -0.043 3.919 3.960 0.003 0.000 0.467 461 G C -0.020 174.962 174.900 0.136 0.000 1.268 461 G CA 0.321 45.418 45.100 -0.006 0.000 1.268 461 G HN 0.706 nan 8.290 nan 0.000 0.728 462 N N -0.078 118.729 118.700 0.178 0.000 3.012 462 N HA 0.359 5.101 4.740 0.003 0.000 0.270 462 N C -0.154 175.432 175.510 0.126 0.000 1.469 462 N CA -0.529 52.618 53.050 0.162 0.000 0.928 462 N CB 1.319 39.918 38.487 0.187 0.000 1.219 462 N HN 0.515 nan 8.380 nan 0.000 0.492 463 V N 0.195 120.174 119.914 0.108 0.000 2.479 463 V HA 0.541 4.663 4.120 0.003 0.000 0.281 463 V C 0.992 177.119 176.094 0.055 0.000 1.031 463 V CA -1.073 61.258 62.300 0.052 0.000 1.038 463 V CB 0.092 31.925 31.823 0.018 0.000 0.981 463 V HN 0.363 nan 8.190 nan 0.000 0.478 464 A N 3.582 126.432 122.820 0.050 0.000 2.325 464 A HA 0.517 4.839 4.320 0.003 0.000 0.260 464 A C 0.827 178.583 177.584 0.287 0.000 1.133 464 A CA 0.406 52.548 52.037 0.175 0.000 0.801 464 A CB -0.540 18.614 19.000 0.257 0.000 1.092 464 A HN 1.765 nan 8.150 nan 0.000 0.504 465 H N -1.808 117.274 119.070 0.021 0.000 3.007 465 H HA -0.118 4.440 4.556 0.003 0.000 0.267 465 H C 0.057 175.401 175.328 0.028 0.000 1.266 465 H CA 0.831 56.894 56.048 0.025 0.000 1.116 465 H CB -2.740 27.038 29.762 0.027 0.000 1.282 465 H HN 0.796 nan 8.280 nan 0.000 0.372 466 Q N -1.136 118.740 119.800 0.126 0.000 2.452 466 Q HA -0.254 4.088 4.340 0.003 0.000 0.318 466 Q C -0.434 175.614 176.000 0.080 0.000 1.386 466 Q CA 1.339 57.189 55.803 0.078 0.000 0.872 466 Q CB -0.754 28.015 28.738 0.052 0.000 1.151 466 Q HN 0.767 nan 8.270 nan 0.000 0.417 467 Q N 0.186 120.039 119.800 0.088 0.000 2.421 467 Q HA 0.753 5.095 4.340 0.003 0.000 0.280 467 Q C -0.701 175.359 176.000 0.101 0.000 1.085 467 Q CA -0.995 54.859 55.803 0.085 0.000 0.807 467 Q CB 1.873 30.661 28.738 0.082 0.000 1.405 467 Q HN 0.239 nan 8.270 nan 0.000 0.419 468 L N 1.883 123.186 121.223 0.133 0.000 2.349 468 L HA 0.614 4.956 4.340 0.003 0.000 0.278 468 L C -0.376 176.715 176.870 0.369 0.000 0.996 468 L CA -0.634 54.344 54.840 0.230 0.000 0.825 468 L CB 1.510 43.666 42.059 0.163 0.000 1.243 468 L HN 0.575 nan 8.230 nan 0.000 0.412 469 I N 2.591 123.310 120.570 0.248 0.000 2.577 469 I HA 0.308 4.480 4.170 0.003 0.000 0.300 469 I C -0.437 175.542 176.117 -0.231 0.000 0.990 469 I CA -0.089 61.253 61.300 0.070 0.000 1.283 469 I CB 1.596 39.605 38.000 0.015 0.000 1.411 469 I HN 0.800 nan 8.210 nan 0.000 0.515 470 Q N 7.959 127.449 119.800 -0.517 0.000 3.255 470 Q HA 0.340 4.682 4.340 0.003 0.000 0.231 470 Q C -1.471 174.283 176.000 -0.409 0.000 0.935 470 Q CA -0.528 54.818 55.803 -0.762 0.000 0.714 470 Q CB 0.862 28.639 28.738 -1.602 0.000 1.345 470 Q HN 0.660 nan 8.270 nan 0.000 0.463 471 I N 1.653 122.070 120.570 -0.255 0.000 2.618 471 I HA 0.089 4.261 4.170 0.003 0.000 0.284 471 I C 0.700 176.692 176.117 -0.207 0.000 1.146 471 I CA 0.583 61.785 61.300 -0.164 0.000 1.425 471 I CB 1.022 38.968 38.000 -0.091 0.000 1.383 471 I HN 0.362 nan 8.210 nan 0.000 0.562 472 T N 2.912 117.330 114.554 -0.226 0.000 2.807 472 T HA 0.222 4.574 4.350 0.003 0.000 0.277 472 T C 1.188 175.565 174.700 -0.539 0.000 1.006 472 T CA -0.361 61.500 62.100 -0.399 0.000 1.006 472 T CB 1.824 70.526 68.868 -0.275 0.000 1.274 472 T HN 0.645 nan 8.240 nan 0.000 0.569 473 S N 0.589 115.867 115.700 -0.703 0.000 2.389 473 S HA -0.180 4.292 4.470 0.003 0.000 0.229 473 S C 1.952 176.499 174.600 -0.088 0.000 1.048 473 S CA 1.880 59.820 58.200 -0.433 0.000 1.117 473 S CB -0.847 62.230 63.200 -0.205 0.000 1.020 473 S HN 0.770 nan 8.310 nan 0.000 0.430 474 A N 1.013 123.787 122.820 -0.077 0.000 2.279 474 A HA 0.187 4.509 4.320 0.003 0.000 0.190 474 A C 1.006 178.626 177.584 0.060 0.000 1.210 474 A CA 1.412 53.452 52.037 0.005 0.000 0.768 474 A CB -0.773 18.218 19.000 -0.016 0.000 0.887 474 A HN 0.818 nan 8.150 nan 0.000 0.530 475 S N -2.920 112.811 115.700 0.052 0.000 2.579 475 S HA 0.438 4.910 4.470 0.003 0.000 0.272 475 S C -0.488 174.162 174.600 0.083 0.000 1.141 475 S CA -0.031 58.259 58.200 0.150 0.000 0.843 475 S CB 1.070 64.445 63.200 0.292 0.000 1.122 475 S HN 1.847 nan 8.310 nan 0.000 0.468 476 V N 2.920 122.891 119.914 0.095 0.000 2.500 476 V HA 0.172 4.294 4.120 0.003 0.000 0.267 476 V C 0.605 176.721 176.094 0.036 0.000 0.977 476 V CA 0.218 62.522 62.300 0.006 0.000 1.151 476 V CB -1.494 30.286 31.823 -0.073 0.000 1.013 476 V HN 0.825 nan 8.190 nan 0.000 0.467 477 R N 4.154 124.638 120.500 -0.027 0.000 2.840 477 R HA 0.632 4.974 4.340 0.003 0.000 0.282 477 R C -0.601 175.716 176.300 0.029 0.000 1.133 477 R CA -0.559 55.539 56.100 -0.003 0.000 1.208 477 R CB 0.530 30.803 30.300 -0.046 0.000 1.160 477 R HN 0.701 nan 8.270 nan 0.000 0.576 478 L N -0.065 121.207 121.223 0.082 0.000 2.513 478 L HA 0.435 4.777 4.340 0.003 0.000 0.261 478 L C -1.638 175.324 176.870 0.153 0.000 0.945 478 L CA -0.522 54.386 54.840 0.113 0.000 0.848 478 L CB 2.432 44.541 42.059 0.084 0.000 1.334 478 L HN 0.307 nan 8.230 nan 0.000 0.407 479 V N 2.344 122.367 119.914 0.180 0.000 2.971 479 V HA 0.714 4.836 4.120 0.003 0.000 0.309 479 V C -0.268 175.876 176.094 0.083 0.000 1.130 479 V CA -0.580 61.800 62.300 0.133 0.000 0.964 479 V CB 2.132 34.041 31.823 0.143 0.000 1.029 479 V HN 0.805 nan 8.190 nan 0.000 0.427 480 S N 0.788 116.514 115.700 0.042 0.000 2.747 480 S HA 0.422 4.894 4.470 0.003 0.000 0.300 480 S C 0.420 175.026 174.600 0.010 0.000 1.121 480 S CA -0.640 57.582 58.200 0.036 0.000 0.995 480 S CB 1.887 65.109 63.200 0.037 0.000 1.113 480 S HN 0.779 nan 8.310 nan 0.000 0.547 481 Q N 0.803 120.613 119.800 0.017 0.000 2.134 481 Q HA 0.069 4.411 4.340 0.003 0.000 0.195 481 Q C 1.499 177.500 176.000 0.001 0.000 0.958 481 Q CA 0.960 56.765 55.803 0.003 0.000 0.840 481 Q CB -0.249 28.496 28.738 0.012 0.000 0.918 481 Q HN 0.589 nan 8.270 nan 0.000 0.467 482 E N 0.773 120.980 120.200 0.011 0.000 1.998 482 E HA -0.094 4.258 4.350 0.003 0.000 0.195 482 E C -0.364 176.239 176.600 0.006 0.000 0.994 482 E CA 1.001 57.406 56.400 0.009 0.000 0.835 482 E CB -1.468 28.241 29.700 0.015 0.000 0.786 482 E HN 0.194 nan 8.360 nan 0.000 0.467 483 P HA -0.157 nan 4.420 nan 0.000 0.215 483 P C -0.012 177.289 177.300 0.001 0.000 1.157 483 P CA 1.406 64.512 63.100 0.010 0.000 0.868 483 P CB -0.011 31.701 31.700 0.020 0.000 0.788 484 K N -1.567 118.832 120.400 -0.002 0.000 4.387 484 K HA -0.091 4.231 4.320 0.003 0.000 0.290 484 K C -0.316 176.273 176.600 -0.018 0.000 0.936 484 K CA 0.664 56.937 56.287 -0.023 0.000 0.890 484 K CB -1.527 30.950 32.500 -0.039 0.000 1.617 484 K HN 0.290 nan 8.250 nan 0.000 0.437 485 A N 1.337 124.159 122.820 0.003 0.000 3.229 485 A HA 0.600 4.922 4.320 0.003 0.000 0.131 485 A C -1.367 176.244 177.584 0.044 0.000 1.366 485 A CA -0.139 51.907 52.037 0.015 0.000 2.531 485 A CB 0.209 19.217 19.000 0.013 0.000 2.936 485 A HN 0.736 nan 8.150 nan 0.000 1.241 486 L N 1.827 123.076 121.223 0.042 0.000 2.603 486 L HA 0.500 4.842 4.340 0.003 0.000 0.242 486 L C 0.593 177.491 176.870 0.046 0.000 1.169 486 L CA 0.031 54.902 54.840 0.051 0.000 1.029 486 L CB 0.322 42.404 42.059 0.038 0.000 1.361 486 L HN 0.388 nan 8.230 nan 0.000 0.439 487 V N 0.460 120.408 119.914 0.056 0.000 2.270 487 V HA -0.033 4.089 4.120 0.003 0.000 0.245 487 V C 1.275 177.401 176.094 0.053 0.000 1.043 487 V CA 1.659 63.991 62.300 0.053 0.000 1.014 487 V CB -0.388 31.471 31.823 0.061 0.000 0.645 487 V HN 0.728 nan 8.190 nan 0.000 0.447 488 S N -2.061 113.675 115.700 0.061 0.000 2.880 488 S HA 0.614 5.086 4.470 0.003 0.000 0.308 488 S C -1.465 173.173 174.600 0.064 0.000 1.195 488 S CA -0.505 57.732 58.200 0.060 0.000 0.866 488 S CB 1.993 65.237 63.200 0.073 0.000 1.254 488 S HN 0.510 nan 8.310 nan 0.000 0.571 489 E N 0.177 120.422 120.200 0.075 0.000 3.843 489 E HA 0.090 4.442 4.350 0.003 0.000 0.391 489 E C -2.050 174.611 176.600 0.102 0.000 1.038 489 E CA -0.236 56.213 56.400 0.081 0.000 0.745 489 E CB 0.001 29.726 29.700 0.042 0.000 1.301 489 E HN 0.567 nan 8.360 nan 0.000 0.504 490 W N 4.113 125.386 121.300 -0.045 0.000 2.049 490 W HA 0.479 5.141 4.660 0.003 0.000 0.356 490 W C -0.224 176.253 176.519 -0.069 0.000 1.323 490 W CA 0.717 58.025 57.345 -0.062 0.000 1.336 490 W CB 0.853 30.270 29.460 -0.071 0.000 1.176 490 W HN 0.455 nan 8.180 nan 0.000 0.623 491 K N 2.287 122.313 120.400 -0.624 0.000 2.580 491 K HA 0.072 4.394 4.320 0.003 0.000 0.258 491 K C -1.112 174.852 176.600 -1.060 0.000 0.936 491 K CA -0.534 55.443 56.287 -0.518 0.000 0.852 491 K CB 1.313 33.626 32.500 -0.312 0.000 1.329 491 K HN 0.361 nan 8.250 nan 0.000 0.430 492 E N 4.996 124.864 120.200 -0.553 0.000 2.417 492 E HA 0.070 4.422 4.350 0.003 0.000 0.261 492 E C -1.737 174.649 176.600 -0.358 0.000 1.000 492 E CA -1.445 54.703 56.400 -0.421 0.000 0.919 492 E CB 0.878 30.636 29.700 0.097 0.000 0.955 492 E HN 0.348 nan 8.360 nan 0.000 0.455 493 P HA -0.103 nan 4.420 nan 0.000 0.261 493 P C 0.135 177.362 177.300 -0.122 0.000 1.277 493 P CA 0.894 63.848 63.100 -0.244 0.000 0.748 493 P CB 0.176 31.770 31.700 -0.177 0.000 1.062 494 Q N -3.232 116.513 119.800 -0.092 0.000 1.921 494 Q HA 0.257 4.599 4.340 0.003 0.000 0.192 494 Q C 0.350 176.330 176.000 -0.034 0.000 0.755 494 Q CA 0.426 56.204 55.803 -0.043 0.000 0.904 494 Q CB 0.658 29.395 28.738 -0.001 0.000 1.222 494 Q HN 0.097 nan 8.270 nan 0.000 0.417 495 A N 1.479 124.269 122.820 -0.050 0.000 2.876 495 A HA -0.216 4.106 4.320 0.003 0.000 0.287 495 A C -0.257 177.332 177.584 0.008 0.000 1.455 495 A CA 1.305 53.325 52.037 -0.029 0.000 0.744 495 A CB -1.674 17.308 19.000 -0.031 0.000 1.041 495 A HN 0.133 nan 8.150 nan 0.000 0.500 496 K N 0.235 120.657 120.400 0.037 0.000 2.259 496 K HA 0.462 4.784 4.320 0.003 0.000 0.249 496 K C 0.231 176.899 176.600 0.113 0.000 0.942 496 K CA -0.992 55.337 56.287 0.070 0.000 0.816 496 K CB 0.783 33.331 32.500 0.081 0.000 1.155 496 K HN 0.520 nan 8.250 nan 0.000 0.428 497 N N 1.368 120.138 118.700 0.116 0.000 2.288 497 N HA 0.140 4.882 4.740 0.003 0.000 0.237 497 N C -0.119 175.512 175.510 0.202 0.000 1.311 497 N CA 0.204 53.344 53.050 0.151 0.000 0.909 497 N CB 0.476 39.055 38.487 0.153 0.000 1.167 497 N HN 0.368 nan 8.380 nan 0.000 0.476 498 I N 0.837 121.544 120.570 0.230 0.000 2.342 498 I HA -0.004 4.168 4.170 0.003 0.000 0.291 498 I C 1.564 177.842 176.117 0.270 0.000 1.010 498 I CA -0.161 61.283 61.300 0.239 0.000 1.308 498 I CB 1.118 39.251 38.000 0.220 0.000 1.400 498 I HN 0.554 nan 8.210 nan 0.000 0.488 499 S N 5.008 120.810 115.700 0.171 0.000 2.356 499 S HA 0.100 4.572 4.470 0.003 0.000 0.219 499 S C 0.614 175.228 174.600 0.024 0.000 1.036 499 S CA 0.142 58.405 58.200 0.106 0.000 0.965 499 S CB 0.095 63.341 63.200 0.078 0.000 0.864 499 S HN 0.358 nan 8.310 nan 0.000 0.471 500 V N 1.986 121.932 119.914 0.053 0.000 2.444 500 V HA 0.780 4.902 4.120 0.003 0.000 0.294 500 V C 0.054 176.175 176.094 0.045 0.000 1.022 500 V CA -0.799 61.517 62.300 0.026 0.000 0.850 500 V CB 1.013 32.866 31.823 0.050 0.000 0.992 500 V HN 0.660 nan 8.190 nan 0.000 0.426 501 A N 4.086 126.941 122.820 0.059 0.000 2.279 501 A HA 0.942 5.264 4.320 0.003 0.000 0.303 501 A C 0.098 177.635 177.584 -0.080 0.000 1.108 501 A CA -0.243 51.804 52.037 0.018 0.000 0.830 501 A CB 1.144 20.223 19.000 0.131 0.000 1.106 501 A HN 0.791 nan 8.150 nan 0.000 0.493 502 S N -1.653 113.858 115.700 -0.314 0.000 2.615 502 S HA 0.699 5.171 4.470 0.003 0.000 0.269 502 S C -1.241 172.878 174.600 -0.803 0.000 1.161 502 S CA 0.137 58.071 58.200 -0.442 0.000 0.817 502 S CB 1.348 64.421 63.200 -0.212 0.000 1.131 502 S HN 2.178 nan 8.310 nan 0.000 0.467 503 C N 2.217 121.103 119.300 -0.689 0.000 2.858 503 C HA 0.332 4.794 4.460 0.003 0.000 0.379 503 C C 0.148 175.065 174.990 -0.122 0.000 1.069 503 C CA -0.327 58.370 59.018 -0.534 0.000 1.038 503 C CB -0.765 26.494 27.740 -0.801 0.000 1.416 503 C HN 1.219 nan 8.230 nan 0.000 0.576 504 N N 2.227 120.904 118.700 -0.038 0.000 2.638 504 N HA 0.382 5.123 4.740 0.003 0.000 0.220 504 N C 0.723 176.297 175.510 0.106 0.000 1.031 504 N CA 0.950 54.044 53.050 0.074 0.000 1.062 504 N CB 0.309 38.812 38.487 0.028 0.000 1.406 504 N HN 0.641 nan 8.380 nan 0.000 0.495 505 S N -2.750 112.978 115.700 0.046 0.000 2.775 505 S HA 0.317 4.788 4.470 0.003 0.000 0.227 505 S C -0.307 174.288 174.600 -0.010 0.000 0.845 505 S CA -0.121 58.110 58.200 0.052 0.000 1.407 505 S CB -0.112 63.133 63.200 0.074 0.000 1.259 505 S HN 0.375 nan 8.310 nan 0.000 0.612 506 S N 0.122 115.788 115.700 -0.056 0.000 2.961 506 S HA 0.257 4.729 4.470 0.003 0.000 0.253 506 S C 0.117 174.630 174.600 -0.145 0.000 1.029 506 S CA -0.382 57.749 58.200 -0.115 0.000 1.087 506 S CB 0.748 63.909 63.200 -0.064 0.000 0.932 506 S HN 0.308 nan 8.310 nan 0.000 0.418 507 Q N 0.837 120.551 119.800 -0.143 0.000 2.180 507 Q HA 0.727 5.069 4.340 0.003 0.000 0.241 507 Q C -1.309 174.522 176.000 -0.281 0.000 0.970 507 Q CA -0.374 55.297 55.803 -0.220 0.000 0.919 507 Q CB 1.848 30.417 28.738 -0.282 0.000 1.222 507 Q HN 0.113 nan 8.270 nan 0.000 0.482 508 V N 1.423 121.118 119.914 -0.366 0.000 2.567 508 V HA 0.345 4.467 4.120 0.003 0.000 0.298 508 V C -1.324 174.520 176.094 -0.417 0.000 1.047 508 V CA -0.636 61.441 62.300 -0.371 0.000 0.880 508 V CB 2.026 33.670 31.823 -0.298 0.000 1.009 508 V HN 0.492 nan 8.190 nan 0.000 0.429 509 V N 5.998 125.702 119.914 -0.349 0.000 2.383 509 V HA 0.281 4.403 4.120 0.003 0.000 0.264 509 V C 0.179 176.197 176.094 -0.128 0.000 1.001 509 V CA -0.399 61.764 62.300 -0.229 0.000 0.828 509 V CB 1.613 33.308 31.823 -0.214 0.000 1.069 509 V HN 0.744 nan 8.190 nan 0.000 0.451 510 V N 1.564 121.410 119.914 -0.113 0.000 3.641 510 V HA 0.979 5.101 4.120 0.003 0.000 0.286 510 V C 0.378 176.486 176.094 0.024 0.000 1.027 510 V CA 0.047 62.318 62.300 -0.049 0.000 1.032 510 V CB 1.525 33.310 31.823 -0.062 0.000 1.238 510 V HN 0.923 nan 8.190 nan 0.000 0.439 511 A N -0.502 122.348 122.820 0.051 0.000 2.549 511 A HA 0.742 5.064 4.320 0.003 0.000 0.297 511 A C -0.076 177.556 177.584 0.079 0.000 1.061 511 A CA 0.031 52.091 52.037 0.038 0.000 0.690 511 A CB 1.867 20.884 19.000 0.027 0.000 1.287 511 A HN 1.045 nan 8.150 nan 0.000 0.402 512 V N 0.554 120.498 119.914 0.050 0.000 3.263 512 V HA 0.424 4.546 4.120 0.003 0.000 0.248 512 V C 1.477 177.596 176.094 0.041 0.000 1.145 512 V CA 1.773 64.129 62.300 0.094 0.000 1.107 512 V CB 0.249 32.159 31.823 0.144 0.000 0.797 512 V HN 1.474 nan 8.190 nan 0.000 0.467 513 G N 0.234 109.032 108.800 -0.002 0.000 3.206 513 G HA2 0.037 3.999 3.960 0.003 0.000 0.111 513 G HA3 0.037 3.999 3.960 0.003 0.000 0.111 513 G C 0.678 175.555 174.900 -0.039 0.000 1.043 513 G CA -0.041 45.042 45.100 -0.028 0.000 1.273 513 G HN 0.165 nan 8.290 nan 0.000 0.502 514 R N 0.984 121.448 120.500 -0.061 0.000 2.362 514 R HA 0.620 4.962 4.340 0.003 0.000 0.227 514 R C 0.906 177.126 176.300 -0.134 0.000 0.905 514 R CA 0.496 56.548 56.100 -0.080 0.000 1.067 514 R CB 1.035 31.280 30.300 -0.093 0.000 1.078 514 R HN 0.440 nan 8.270 nan 0.000 0.516 515 A N 1.426 124.168 122.820 -0.130 0.000 2.302 515 A HA 0.565 4.887 4.320 0.003 0.000 0.285 515 A C -0.362 177.051 177.584 -0.284 0.000 1.105 515 A CA -0.277 51.634 52.037 -0.210 0.000 0.816 515 A CB 0.532 19.448 19.000 -0.140 0.000 1.067 515 A HN 0.207 nan 8.150 nan 0.000 0.489 516 L N 2.238 123.197 121.223 -0.440 0.000 2.529 516 L HA 0.286 4.628 4.340 0.003 0.000 0.258 516 L C -0.839 175.855 176.870 -0.293 0.000 1.032 516 L CA -0.253 54.339 54.840 -0.413 0.000 0.899 516 L CB 0.566 42.221 42.059 -0.673 0.000 1.174 516 L HN 0.892 nan 8.230 nan 0.000 0.458 517 Y N 1.438 121.800 120.300 0.104 0.000 2.686 517 Y HA 0.257 4.809 4.550 0.003 0.000 0.460 517 Y C -0.107 175.977 175.900 0.306 0.000 1.427 517 Y CA 0.176 58.375 58.100 0.165 0.000 2.017 517 Y CB 0.499 38.951 38.460 -0.013 0.000 1.798 517 Y HN 0.378 nan 8.280 nan 0.000 0.652 518 Y N 0.179 120.610 120.300 0.218 0.000 2.232 518 Y HA 0.354 4.906 4.550 0.003 0.000 0.316 518 Y C -2.200 173.669 175.900 -0.051 0.000 1.345 518 Y CA -0.970 57.180 58.100 0.084 0.000 1.315 518 Y CB 0.168 38.722 38.460 0.156 0.000 1.295 518 Y HN 0.326 nan 8.280 nan 0.000 0.412 519 L N 5.133 126.517 121.223 0.269 0.000 2.303 519 L HA 0.686 5.028 4.340 0.003 0.000 0.256 519 L C -1.285 175.687 176.870 0.170 0.000 1.034 519 L CA -1.191 53.712 54.840 0.106 0.000 0.832 519 L CB 2.583 44.472 42.059 -0.282 0.000 1.403 519 L HN 0.598 nan 8.230 nan 0.000 0.419 520 Q N 1.212 121.084 119.800 0.119 0.000 2.347 520 Q HA 0.493 4.835 4.340 0.003 0.000 0.271 520 Q C -0.839 175.148 176.000 -0.023 0.000 1.064 520 Q CA -0.594 55.246 55.803 0.061 0.000 0.800 520 Q CB 3.039 31.879 28.738 0.170 0.000 1.304 520 Q HN 0.436 nan 8.270 nan 0.000 0.438 521 I N 2.362 122.846 120.570 -0.145 0.000 2.571 521 I HA 0.102 4.274 4.170 0.003 0.000 0.282 521 I C 0.224 176.214 176.117 -0.212 0.000 1.085 521 I CA -0.028 61.190 61.300 -0.138 0.000 1.677 521 I CB -1.205 36.706 38.000 -0.147 0.000 1.460 521 I HN 0.565 nan 8.210 nan 0.000 0.693 522 H N 3.647 122.685 119.070 -0.054 0.000 2.757 522 H HA 0.112 4.670 4.556 0.003 0.000 0.370 522 H C -1.882 173.495 175.328 0.082 0.000 1.172 522 H CA -1.277 54.772 56.048 0.001 0.000 1.426 522 H CB 0.529 30.315 29.762 0.040 0.000 1.438 522 H HN 0.048 nan 8.280 nan 0.000 0.612 523 P HA -0.090 nan 4.420 nan 0.000 0.243 523 P C -0.064 177.340 177.300 0.174 0.000 1.134 523 P CA 1.016 64.301 63.100 0.308 0.000 1.109 523 P CB -0.156 31.693 31.700 0.248 0.000 1.140 524 Q N -0.721 119.165 119.800 0.143 0.000 2.431 524 Q HA -0.208 4.134 4.340 0.003 0.000 0.230 524 Q C -0.282 175.771 176.000 0.087 0.000 0.701 524 Q CA 1.209 57.072 55.803 0.100 0.000 1.290 524 Q CB -1.263 27.524 28.738 0.082 0.000 1.362 524 Q HN 0.667 nan 8.270 nan 0.000 0.762 525 E N -0.532 119.728 120.200 0.100 0.000 2.363 525 E HA 0.565 4.917 4.350 0.003 0.000 0.281 525 E C -0.994 175.672 176.600 0.109 0.000 0.953 525 E CA -0.793 55.663 56.400 0.094 0.000 0.778 525 E CB 0.623 30.373 29.700 0.083 0.000 1.220 525 E HN 0.127 nan 8.360 nan 0.000 0.431 526 L N 1.504 122.792 121.223 0.108 0.000 2.295 526 L HA 0.540 4.882 4.340 0.003 0.000 0.288 526 L C 0.462 177.427 176.870 0.157 0.000 1.079 526 L CA -0.515 54.396 54.840 0.118 0.000 0.830 526 L CB 0.425 42.554 42.059 0.117 0.000 1.200 526 L HN 0.384 nan 8.230 nan 0.000 0.438 527 R N 2.465 123.059 120.500 0.156 0.000 2.407 527 R HA 0.317 4.659 4.340 0.003 0.000 0.303 527 R C -0.390 175.995 176.300 0.141 0.000 0.981 527 R CA -0.569 55.617 56.100 0.144 0.000 0.905 527 R CB 1.442 31.810 30.300 0.112 0.000 1.099 527 R HN 0.641 nan 8.270 nan 0.000 0.459 528 Q N 3.065 122.955 119.800 0.151 0.000 2.312 528 Q HA 0.237 4.579 4.340 0.003 0.000 0.236 528 Q C 0.010 176.048 176.000 0.064 0.000 0.965 528 Q CA -0.169 55.724 55.803 0.149 0.000 0.894 528 Q CB 1.006 29.892 28.738 0.246 0.000 1.225 528 Q HN 0.677 nan 8.270 nan 0.000 0.478 529 I N -0.559 120.036 120.570 0.042 0.000 3.694 529 I HA 0.162 4.334 4.170 0.003 0.000 0.259 529 I C 0.200 176.368 176.117 0.085 0.000 1.070 529 I CA -0.296 60.969 61.300 -0.059 0.000 1.833 529 I CB 0.201 37.942 38.000 -0.432 0.000 1.648 529 I HN 0.445 nan 8.210 nan 0.000 0.431 530 S N -0.473 115.348 115.700 0.201 0.000 2.767 530 S HA 0.576 5.048 4.470 0.003 0.000 0.300 530 S C -1.135 173.742 174.600 0.462 0.000 1.123 530 S CA -0.142 58.265 58.200 0.345 0.000 0.992 530 S CB 1.851 65.340 63.200 0.482 0.000 1.138 530 S HN 0.455 nan 8.310 nan 0.000 0.550 531 H N -0.441 118.742 119.070 0.189 0.000 3.155 531 H HA 0.490 5.048 4.556 0.003 0.000 0.328 531 H C -1.516 173.669 175.328 -0.238 0.000 1.059 531 H CA -0.126 55.892 56.048 -0.051 0.000 1.378 531 H CB 0.866 30.677 29.762 0.080 0.000 1.998 531 H HN 0.540 nan 8.280 nan 0.000 0.480 532 T N 3.859 117.812 114.554 -1.003 0.000 2.894 532 T HA 0.351 4.703 4.350 0.003 0.000 0.309 532 T C -1.005 173.206 174.700 -0.815 0.000 1.208 532 T CA -0.849 60.733 62.100 -0.862 0.000 1.016 532 T CB 2.216 70.643 68.868 -0.736 0.000 1.192 532 T HN 0.580 nan 8.240 nan 0.000 0.491 533 E N 1.507 121.385 120.200 -0.537 0.000 2.227 533 E HA 0.593 4.945 4.350 0.003 0.000 0.268 533 E C -0.855 175.591 176.600 -0.257 0.000 0.907 533 E CA -0.852 55.328 56.400 -0.366 0.000 0.786 533 E CB 1.143 30.676 29.700 -0.277 0.000 1.191 533 E HN 0.363 nan 8.360 nan 0.000 0.411 534 M N 2.060 121.540 119.600 -0.199 0.000 2.598 534 M HA 0.246 4.728 4.480 0.003 0.000 0.317 534 M C 0.976 177.162 176.300 -0.190 0.000 1.179 534 M CA -0.645 54.562 55.300 -0.156 0.000 0.936 534 M CB 1.466 34.008 32.600 -0.096 0.000 1.713 534 M HN 0.529 nan 8.290 nan 0.000 0.460 535 E N 1.120 121.170 120.200 -0.249 0.000 2.149 535 E HA -0.213 4.139 4.350 0.003 0.000 0.215 535 E C 0.197 176.355 176.600 -0.736 0.000 1.055 535 E CA 1.856 57.933 56.400 -0.538 0.000 0.870 535 E CB 0.009 29.336 29.700 -0.622 0.000 0.764 535 E HN 0.552 nan 8.360 nan 0.000 0.463 536 H N -1.158 117.907 119.070 -0.008 0.000 2.960 536 H HA 0.332 4.890 4.556 0.003 0.000 0.303 536 H C -0.257 175.082 175.328 0.019 0.000 1.412 536 H CA -0.807 55.250 56.048 0.015 0.000 1.227 536 H CB 0.512 30.313 29.762 0.066 0.000 1.912 536 H HN -0.087 nan 8.280 nan 0.000 0.583 537 E N 1.321 121.620 120.200 0.165 0.000 2.366 537 E HA 0.104 4.456 4.350 0.003 0.000 0.266 537 E C -0.345 176.421 176.600 0.277 0.000 1.015 537 E CA -0.221 56.213 56.400 0.057 0.000 0.906 537 E CB 0.850 30.345 29.700 -0.342 0.000 0.979 537 E HN 0.141 nan 8.360 nan 0.000 0.443 538 V N 4.097 124.114 119.914 0.172 0.000 2.493 538 V HA -0.092 4.030 4.120 0.003 0.000 0.292 538 V C 1.119 177.401 176.094 0.313 0.000 1.016 538 V CA 0.811 63.224 62.300 0.188 0.000 1.097 538 V CB 0.676 32.556 31.823 0.095 0.000 0.947 538 V HN 0.859 nan 8.190 nan 0.000 0.479 539 A N 4.947 127.926 122.820 0.266 0.000 1.861 539 A HA 0.133 4.455 4.320 0.003 0.000 0.212 539 A C 0.992 178.629 177.584 0.089 0.000 1.199 539 A CA 1.302 53.425 52.037 0.143 0.000 0.613 539 A CB -0.048 18.873 19.000 -0.132 0.000 0.846 539 A HN 1.040 nan 8.150 nan 0.000 0.446 540 C N -3.262 116.078 119.300 0.067 0.000 3.285 540 C HA 0.795 5.256 4.460 0.003 0.000 0.325 540 C C -0.997 174.030 174.990 0.062 0.000 1.304 540 C CA -1.296 57.757 59.018 0.059 0.000 1.319 540 C CB 0.517 28.284 27.740 0.045 0.000 1.640 540 C HN 0.386 nan 8.230 nan 0.000 0.477 541 L N 1.267 122.528 121.223 0.065 0.000 2.409 541 L HA 0.748 5.090 4.340 0.003 0.000 0.262 541 L C -1.464 175.442 176.870 0.060 0.000 0.992 541 L CA 0.028 54.902 54.840 0.057 0.000 0.817 541 L CB 2.121 44.206 42.059 0.043 0.000 1.350 541 L HN 0.899 nan 8.230 nan 0.000 0.411 542 D N 2.710 123.141 120.400 0.051 0.000 2.964 542 D HA 0.675 5.317 4.640 0.003 0.000 0.234 542 D C -1.434 174.882 176.300 0.026 0.000 1.223 542 D CA -0.239 53.794 54.000 0.055 0.000 0.889 542 D CB 1.949 42.796 40.800 0.078 0.000 1.609 542 D HN 0.379 nan 8.370 nan 0.000 0.523 543 I N 0.069 120.647 120.570 0.014 0.000 2.586 543 I HA 0.645 4.817 4.170 0.003 0.000 0.288 543 I C -1.273 174.849 176.117 0.008 0.000 1.147 543 I CA -0.547 60.745 61.300 -0.013 0.000 1.047 543 I CB 2.396 40.348 38.000 -0.080 0.000 1.244 543 I HN 0.168 nan 8.210 nan 0.000 0.429 544 T N 4.113 118.680 114.554 0.022 0.000 3.109 544 T HA 0.456 4.808 4.350 0.003 0.000 0.311 544 T C -2.983 171.736 174.700 0.031 0.000 1.011 544 T CA -1.276 60.843 62.100 0.032 0.000 1.026 544 T CB 1.826 70.725 68.868 0.050 0.000 1.047 544 T HN 0.451 nan 8.240 nan 0.000 0.448 545 P HA 0.110 nan 4.420 nan 0.000 0.258 545 P C 0.466 177.795 177.300 0.049 0.000 1.214 545 P CA -0.164 62.952 63.100 0.026 0.000 0.872 545 P CB 0.339 32.051 31.700 0.022 0.000 0.890 546 L N 3.470 124.735 121.223 0.070 0.000 1.937 546 L HA -0.029 4.313 4.340 0.003 0.000 0.213 546 L C 2.456 179.408 176.870 0.138 0.000 1.077 546 L CA 2.907 57.828 54.840 0.135 0.000 0.758 546 L CB -1.357 40.854 42.059 0.253 0.000 0.888 546 L HN 0.441 nan 8.230 nan 0.000 0.433 547 G N -1.463 107.435 108.800 0.164 0.000 2.682 547 G HA2 -0.019 3.943 3.960 0.003 0.000 0.200 547 G HA3 -0.019 3.943 3.960 0.003 0.000 0.200 547 G C 0.079 175.029 174.900 0.083 0.000 1.179 547 G CA 0.477 45.656 45.100 0.133 0.000 0.718 547 G HN 0.460 nan 8.290 nan 0.000 0.685 548 D N 1.434 121.877 120.400 0.072 0.000 2.676 548 D HA 0.311 4.953 4.640 0.003 0.000 0.239 548 D C -0.008 176.311 176.300 0.031 0.000 1.213 548 D CA -0.191 53.836 54.000 0.044 0.000 0.835 548 D CB -0.031 40.788 40.800 0.032 0.000 1.009 548 D HN 0.164 nan 8.370 nan 0.000 0.479 549 S N -0.315 115.406 115.700 0.035 0.000 2.680 549 S HA 0.255 4.727 4.470 0.003 0.000 0.262 549 S C -0.786 173.834 174.600 0.033 0.000 1.138 549 S CA -1.069 57.148 58.200 0.029 0.000 1.072 549 S CB 0.553 63.765 63.200 0.020 0.000 1.097 549 S HN 0.073 nan 8.310 nan 0.000 0.468 550 N N 2.391 121.112 118.700 0.034 0.000 2.466 550 N HA 0.296 5.038 4.740 0.003 0.000 0.263 550 N C 1.364 176.897 175.510 0.039 0.000 1.178 550 N CA 1.305 54.378 53.050 0.038 0.000 0.983 550 N CB 0.691 39.202 38.487 0.040 0.000 1.331 550 N HN 1.149 nan 8.380 nan 0.000 0.500 551 G N 1.501 110.321 108.800 0.034 0.000 2.708 551 G HA2 -0.320 3.642 3.960 0.003 0.000 0.229 551 G HA3 -0.320 3.642 3.960 0.003 0.000 0.229 551 G C 0.184 175.090 174.900 0.010 0.000 1.236 551 G CA -0.105 45.011 45.100 0.025 0.000 0.749 551 G HN 0.487 nan 8.290 nan 0.000 0.515 552 L N 2.030 123.264 121.223 0.019 0.000 2.380 552 L HA 0.676 5.018 4.340 0.003 0.000 0.273 552 L C 0.593 177.470 176.870 0.011 0.000 1.138 552 L CA 0.590 55.442 54.840 0.020 0.000 0.832 552 L CB 1.636 43.719 42.059 0.041 0.000 1.124 552 L HN 0.258 nan 8.230 nan 0.000 0.454 553 S N 5.407 121.105 115.700 -0.004 0.000 2.449 553 S HA 0.586 5.058 4.470 0.003 0.000 0.310 553 S C -2.054 172.532 174.600 -0.024 0.000 1.096 553 S CA -1.385 56.804 58.200 -0.019 0.000 1.095 553 S CB 1.134 64.308 63.200 -0.042 0.000 1.007 553 S HN 0.476 nan 8.310 nan 0.000 0.474 554 P HA 0.054 nan 4.420 nan 0.000 0.317 554 P C 0.115 177.384 177.300 -0.051 0.000 1.427 554 P CA -0.163 62.914 63.100 -0.038 0.000 0.820 554 P CB 0.002 31.673 31.700 -0.048 0.000 1.894 555 L N -1.968 119.223 121.223 -0.052 0.000 2.444 555 L HA 0.353 4.695 4.340 0.003 0.000 0.251 555 L C 0.171 177.016 176.870 -0.043 0.000 1.247 555 L CA -0.324 54.486 54.840 -0.050 0.000 0.825 555 L CB -0.465 41.571 42.059 -0.039 0.000 1.129 555 L HN 0.242 nan 8.230 nan 0.000 0.527 556 C N -0.114 119.166 119.300 -0.034 0.000 3.236 556 C HA 0.974 5.436 4.460 0.003 0.000 0.312 556 C C -0.450 174.548 174.990 0.013 0.000 1.374 556 C CA 0.258 59.267 59.018 -0.016 0.000 1.455 556 C CB 1.512 29.228 27.740 -0.041 0.000 1.834 556 C HN 1.244 nan 8.230 nan 0.000 0.460 557 A N 2.247 125.084 122.820 0.028 0.000 2.572 557 A HA 0.920 5.242 4.320 0.003 0.000 0.295 557 A C -1.516 176.095 177.584 0.044 0.000 1.072 557 A CA -0.371 51.687 52.037 0.035 0.000 0.691 557 A CB 1.294 20.321 19.000 0.045 0.000 1.291 557 A HN 1.279 nan 8.150 nan 0.000 0.404 558 I N 0.174 120.766 120.570 0.037 0.000 2.828 558 I HA 0.635 4.807 4.170 0.003 0.000 0.295 558 I C -0.258 175.874 176.117 0.024 0.000 1.459 558 I CA -0.374 60.951 61.300 0.043 0.000 1.015 558 I CB 2.167 40.201 38.000 0.057 0.000 1.345 558 I HN 0.982 nan 8.210 nan 0.000 0.449 559 G N 6.793 115.609 108.800 0.027 0.000 2.415 559 G HA2 0.697 4.659 3.960 0.003 0.000 0.327 559 G HA3 0.697 4.659 3.960 0.003 0.000 0.327 559 G C -1.255 173.663 174.900 0.029 0.000 1.182 559 G CA -0.549 44.552 45.100 0.002 0.000 0.924 559 G HN 0.510 nan 8.290 nan 0.000 0.470 560 L N 0.032 121.277 121.223 0.036 0.000 2.271 560 L HA 0.486 4.828 4.340 0.003 0.000 0.265 560 L C -0.064 176.869 176.870 0.106 0.000 1.013 560 L CA -1.028 53.894 54.840 0.138 0.000 0.820 560 L CB 2.150 44.321 42.059 0.186 0.000 1.352 560 L HN 0.638 nan 8.230 nan 0.000 0.443 561 W N -0.606 120.691 121.300 -0.004 0.000 3.330 561 W HA 0.204 4.866 4.660 0.003 0.000 0.348 561 W C 1.119 177.581 176.519 -0.095 0.000 1.205 561 W CA -0.087 57.231 57.345 -0.045 0.000 1.841 561 W CB 0.079 29.533 29.460 -0.011 0.000 1.084 561 W HN 0.476 nan 8.180 nan 0.000 0.665 562 T N -1.917 112.667 114.554 0.049 0.000 2.989 562 T HA -0.017 4.335 4.350 0.003 0.000 0.250 562 T C -0.098 174.472 174.700 -0.217 0.000 0.981 562 T CA 0.037 62.089 62.100 -0.080 0.000 0.980 562 T CB 0.182 68.933 68.868 -0.195 0.000 1.133 562 T HN -0.103 nan 8.240 nan 0.000 0.489 563 D N 1.599 121.760 120.400 -0.398 0.000 2.454 563 D HA 0.339 4.981 4.640 0.003 0.000 0.225 563 D C -0.800 175.403 176.300 -0.162 0.000 1.081 563 D CA -0.602 53.237 54.000 -0.269 0.000 0.864 563 D CB 0.269 40.892 40.800 -0.296 0.000 1.040 563 D HN 0.164 nan 8.370 nan 0.000 0.517 564 I N 2.523 123.015 120.570 -0.131 0.000 2.294 564 I HA 0.164 4.336 4.170 0.003 0.000 0.295 564 I C 0.103 176.140 176.117 -0.133 0.000 1.098 564 I CA 0.314 61.537 61.300 -0.128 0.000 1.277 564 I CB 0.207 38.134 38.000 -0.121 0.000 1.434 564 I HN 0.477 nan 8.210 nan 0.000 0.498 565 S N 4.938 120.572 115.700 -0.110 0.000 2.595 565 S HA 0.938 5.410 4.470 0.003 0.000 0.281 565 S C -0.791 173.748 174.600 -0.101 0.000 1.117 565 S CA -0.876 57.254 58.200 -0.117 0.000 0.873 565 S CB 2.123 65.272 63.200 -0.085 0.000 1.108 565 S HN 0.544 nan 8.310 nan 0.000 0.477 566 A N 1.867 124.608 122.820 -0.133 0.000 2.371 566 A HA 0.929 5.251 4.320 0.003 0.000 0.311 566 A C -0.409 177.090 177.584 -0.142 0.000 1.068 566 A CA -1.024 50.950 52.037 -0.106 0.000 0.744 566 A CB 1.151 20.097 19.000 -0.091 0.000 1.239 566 A HN 0.942 nan 8.150 nan 0.000 0.435 567 R N 2.075 122.520 120.500 -0.091 0.000 2.774 567 R HA 0.625 4.967 4.340 0.003 0.000 0.272 567 R C -1.529 174.742 176.300 -0.047 0.000 1.000 567 R CA -0.772 55.267 56.100 -0.102 0.000 0.906 567 R CB 0.953 31.207 30.300 -0.077 0.000 1.227 567 R HN 0.456 nan 8.270 nan 0.000 0.468 568 I N 2.642 123.188 120.570 -0.040 0.000 2.359 568 I HA 0.466 4.638 4.170 0.003 0.000 0.294 568 I C -0.145 175.979 176.117 0.011 0.000 0.987 568 I CA -0.851 60.451 61.300 0.003 0.000 1.225 568 I CB 0.833 38.854 38.000 0.034 0.000 1.366 568 I HN 0.510 nan 8.210 nan 0.000 0.466 569 L N 5.227 126.458 121.223 0.014 0.000 2.389 569 L HA 0.549 4.891 4.340 0.003 0.000 0.249 569 L C 0.183 177.042 176.870 -0.019 0.000 1.083 569 L CA -0.559 54.291 54.840 0.016 0.000 0.876 569 L CB 1.624 43.718 42.059 0.057 0.000 1.489 569 L HN 0.506 nan 8.230 nan 0.000 0.412 570 K N -0.712 119.661 120.400 -0.044 0.000 2.512 570 K HA 0.498 4.820 4.320 0.003 0.000 0.272 570 K C 0.061 176.533 176.600 -0.215 0.000 1.033 570 K CA -0.451 55.781 56.287 -0.093 0.000 1.096 570 K CB 0.862 33.324 32.500 -0.064 0.000 1.498 570 K HN 0.401 nan 8.250 nan 0.000 0.629 571 L N 0.525 121.614 121.223 -0.223 0.000 2.737 571 L HA 0.269 4.611 4.340 0.003 0.000 0.182 571 L C -1.610 174.996 176.870 -0.441 0.000 1.361 571 L CA 0.246 54.912 54.840 -0.290 0.000 0.955 571 L CB -0.580 41.426 42.059 -0.089 0.000 1.267 571 L HN 0.492 nan 8.230 nan 0.000 0.572 572 P HA -0.007 nan 4.420 nan 0.000 0.222 572 P C 1.679 178.961 177.300 -0.031 0.000 1.153 572 P CA 1.572 64.607 63.100 -0.109 0.000 0.798 572 P CB -0.103 31.552 31.700 -0.075 0.000 0.796 573 S N -0.911 114.762 115.700 -0.045 0.000 2.371 573 S HA -0.123 4.349 4.470 0.003 0.000 0.224 573 S C 0.914 175.656 174.600 0.237 0.000 1.029 573 S CA 0.604 58.853 58.200 0.081 0.000 0.978 573 S CB -1.599 61.618 63.200 0.028 0.000 0.833 573 S HN 0.086 nan 8.310 nan 0.000 0.466 574 F N 1.835 121.795 119.950 0.017 0.000 2.953 574 F HA -0.179 4.349 4.527 0.003 0.000 0.292 574 F C 0.335 176.127 175.800 -0.012 0.000 0.747 574 F CA 0.663 58.663 58.000 0.000 0.000 1.222 574 F CB -2.414 36.576 39.000 -0.017 0.000 1.457 574 F HN 0.492 nan 8.300 nan 0.000 0.383 575 E N 2.495 122.758 120.200 0.105 0.000 2.498 575 E HA 0.120 4.472 4.350 0.003 0.000 0.252 575 E C 0.310 176.938 176.600 0.047 0.000 1.025 575 E CA -0.397 56.041 56.400 0.062 0.000 0.938 575 E CB 1.205 30.924 29.700 0.033 0.000 0.947 575 E HN 0.388 nan 8.360 nan 0.000 0.478 576 L N 4.956 126.203 121.223 0.040 0.000 2.410 576 L HA 0.109 4.451 4.340 0.003 0.000 0.273 576 L C -0.436 176.443 176.870 0.015 0.000 1.152 576 L CA 0.107 54.961 54.840 0.024 0.000 0.855 576 L CB 0.483 42.548 42.059 0.010 0.000 1.129 576 L HN 0.711 nan 8.230 nan 0.000 0.463 577 L N 3.952 125.185 121.223 0.016 0.000 2.644 577 L HA 0.326 4.668 4.340 0.003 0.000 0.187 577 L C 0.270 177.165 176.870 0.042 0.000 1.767 577 L CA -0.251 54.608 54.840 0.031 0.000 3.065 577 L CB -0.576 41.508 42.059 0.042 0.000 2.923 577 L HN 0.706 nan 8.230 nan 0.000 0.799 578 H N 0.165 119.215 119.070 -0.034 0.000 2.660 578 H HA 0.445 5.003 4.556 0.003 0.000 0.374 578 H C -0.481 174.808 175.328 -0.066 0.000 1.291 578 H CA -0.196 55.823 56.048 -0.049 0.000 1.437 578 H CB 0.659 30.388 29.762 -0.055 0.000 1.509 578 H HN 0.441 nan 8.280 nan 0.000 0.614 579 K N 0.360 120.136 120.400 -1.039 0.000 2.308 579 K HA 0.572 4.894 4.320 0.003 0.000 0.268 579 K C -1.433 174.681 176.600 -0.811 0.000 0.992 579 K CA -1.149 54.709 56.287 -0.715 0.000 0.836 579 K CB 1.331 33.631 32.500 -0.335 0.000 1.507 579 K HN 0.510 nan 8.250 nan 0.000 0.394 580 E N 0.026 119.961 120.200 -0.440 0.000 2.352 580 E HA 0.415 4.767 4.350 0.003 0.000 0.280 580 E C -1.969 174.486 176.600 -0.241 0.000 0.930 580 E CA -0.544 55.651 56.400 -0.342 0.000 0.765 580 E CB 2.103 31.548 29.700 -0.425 0.000 1.219 580 E HN 0.587 nan 8.360 nan 0.000 0.434 581 M N 4.950 124.439 119.600 -0.186 0.000 2.060 581 M HA 0.438 4.920 4.480 0.003 0.000 0.342 581 M C -1.520 174.670 176.300 -0.183 0.000 1.031 581 M CA -0.303 54.904 55.300 -0.155 0.000 0.981 581 M CB 0.384 32.923 32.600 -0.103 0.000 1.376 581 M HN 0.498 nan 8.290 nan 0.000 0.397 582 L N 2.249 123.313 121.223 -0.265 0.000 2.453 582 L HA 0.684 5.026 4.340 0.003 0.000 0.261 582 L C 1.128 177.876 176.870 -0.203 0.000 1.179 582 L CA -0.706 53.897 54.840 -0.394 0.000 0.813 582 L CB 0.002 41.670 42.059 -0.652 0.000 1.110 582 L HN 0.665 nan 8.230 nan 0.000 0.466 583 G N -0.150 108.581 108.800 -0.115 0.000 2.504 583 G HA2 0.510 4.472 3.960 0.003 0.000 0.257 583 G HA3 0.510 4.472 3.960 0.003 0.000 0.257 583 G C 0.330 175.228 174.900 -0.003 0.000 1.451 583 G CA -0.133 44.958 45.100 -0.015 0.000 1.059 583 G HN 1.088 nan 8.290 nan 0.000 0.550 584 G N -1.248 107.564 108.800 0.020 0.000 2.668 584 G HA2 -0.184 3.778 3.960 0.003 0.000 0.266 584 G HA3 -0.184 3.778 3.960 0.003 0.000 0.266 584 G C 0.330 175.228 174.900 -0.004 0.000 1.328 584 G CA 0.439 45.551 45.100 0.020 0.000 0.911 584 G HN 0.631 nan 8.290 nan 0.000 0.567 585 E N -0.422 119.776 120.200 -0.003 0.000 2.624 585 E HA 0.260 4.612 4.350 0.003 0.000 0.210 585 E C 0.311 176.891 176.600 -0.033 0.000 0.997 585 E CA -0.112 56.281 56.400 -0.012 0.000 0.999 585 E CB 0.687 30.389 29.700 0.004 0.000 1.040 585 E HN 0.354 nan 8.360 nan 0.000 0.469 586 I N 3.216 123.757 120.570 -0.047 0.000 2.389 586 I HA 0.220 4.392 4.170 0.003 0.000 0.288 586 I C 0.433 176.466 176.117 -0.141 0.000 0.999 586 I CA -1.050 60.200 61.300 -0.084 0.000 1.129 586 I CB 1.385 39.361 38.000 -0.040 0.000 1.288 586 I HN -0.031 nan 8.210 nan 0.000 0.444 587 I N 6.867 127.273 120.570 -0.273 0.000 2.720 587 I HA 0.433 4.605 4.170 0.003 0.000 0.287 587 I C -2.465 173.491 176.117 -0.269 0.000 1.090 587 I CA -2.074 58.998 61.300 -0.381 0.000 1.384 587 I CB 0.475 37.961 38.000 -0.857 0.000 1.420 587 I HN 0.208 nan 8.210 nan 0.000 0.575 588 P HA 0.194 nan 4.420 nan 0.000 0.265 588 P C 0.319 177.549 177.300 -0.117 0.000 1.222 588 P CA -0.078 62.959 63.100 -0.106 0.000 0.767 588 P CB 0.348 32.007 31.700 -0.068 0.000 0.801 589 R N 1.654 122.110 120.500 -0.072 0.000 2.153 589 R HA 0.084 4.426 4.340 0.003 0.000 0.218 589 R C 0.233 176.533 176.300 -0.001 0.000 1.072 589 R CA 0.917 56.986 56.100 -0.052 0.000 0.990 589 R CB 0.261 30.538 30.300 -0.039 0.000 0.889 589 R HN 0.438 nan 8.270 nan 0.000 0.452 590 S N -0.713 115.002 115.700 0.024 0.000 2.535 590 S HA 0.491 4.963 4.470 0.003 0.000 0.272 590 S C -1.705 172.941 174.600 0.077 0.000 1.149 590 S CA -0.763 57.470 58.200 0.055 0.000 0.888 590 S CB 1.181 64.417 63.200 0.059 0.000 1.110 590 S HN 0.119 nan 8.310 nan 0.000 0.463 591 I N 3.606 124.229 120.570 0.087 0.000 2.730 591 I HA 0.859 5.031 4.170 0.003 0.000 0.298 591 I C -1.876 174.310 176.117 0.114 0.000 1.089 591 I CA -0.685 60.677 61.300 0.103 0.000 1.041 591 I CB 1.807 39.857 38.000 0.083 0.000 1.235 591 I HN 0.628 nan 8.210 nan 0.000 0.423 592 L N 7.571 128.877 121.223 0.137 0.000 2.482 592 L HA 0.634 4.976 4.340 0.003 0.000 0.263 592 L C -1.219 175.748 176.870 0.162 0.000 0.957 592 L CA -0.560 54.363 54.840 0.137 0.000 0.836 592 L CB 2.029 44.167 42.059 0.132 0.000 1.324 592 L HN 0.679 nan 8.230 nan 0.000 0.406 593 M N 3.099 122.785 119.600 0.142 0.000 2.227 593 M HA 0.843 5.325 4.480 0.003 0.000 0.335 593 M C -0.969 175.422 176.300 0.152 0.000 1.053 593 M CA 0.006 55.404 55.300 0.162 0.000 0.973 593 M CB 1.616 34.292 32.600 0.127 0.000 1.623 593 M HN 0.653 nan 8.290 nan 0.000 0.434 594 T N 0.011 114.691 114.554 0.212 0.000 2.669 594 T HA 0.859 5.211 4.350 0.003 0.000 0.283 594 T C -0.414 174.382 174.700 0.159 0.000 1.019 594 T CA -0.733 61.444 62.100 0.128 0.000 1.039 594 T CB 2.117 71.033 68.868 0.081 0.000 1.374 594 T HN 0.732 nan 8.240 nan 0.000 0.523 595 T N -0.299 114.218 114.554 -0.061 0.000 2.886 595 T HA 0.607 4.959 4.350 0.003 0.000 0.330 595 T C -1.117 173.383 174.700 -0.332 0.000 1.488 595 T CA -0.507 61.566 62.100 -0.046 0.000 1.054 595 T CB 1.629 70.374 68.868 -0.205 0.000 1.348 595 T HN 0.600 nan 8.240 nan 0.000 0.489 596 F N 0.365 120.420 119.950 0.175 0.000 2.083 596 F HA 0.349 4.878 4.527 0.003 0.000 0.259 596 F C 1.646 177.515 175.800 0.115 0.000 0.953 596 F CA -0.254 57.820 58.000 0.123 0.000 1.156 596 F CB 0.505 39.584 39.000 0.131 0.000 1.297 596 F HN 0.474 nan 8.300 nan 0.000 0.733 597 E N -1.049 119.377 120.200 0.376 0.000 3.596 597 E HA 0.264 4.616 4.350 0.003 0.000 0.188 597 E C 0.227 176.922 176.600 0.158 0.000 1.232 597 E CA 0.433 56.973 56.400 0.233 0.000 1.460 597 E CB 0.444 30.295 29.700 0.251 0.000 1.513 597 E HN -0.077 nan 8.360 nan 0.000 0.530 598 S N -0.081 115.771 115.700 0.253 0.000 2.794 598 S HA 0.528 5.000 4.470 0.003 0.000 0.244 598 S C -0.844 173.902 174.600 0.243 0.000 1.045 598 S CA -0.231 58.040 58.200 0.118 0.000 1.114 598 S CB 0.880 64.002 63.200 -0.131 0.000 1.085 598 S HN 0.070 nan 8.310 nan 0.000 0.488 599 S N 1.374 117.141 115.700 0.112 0.000 2.542 599 S HA 0.368 4.839 4.470 0.003 0.000 0.276 599 S C -1.875 172.456 174.600 -0.449 0.000 1.148 599 S CA -0.565 57.529 58.200 -0.177 0.000 0.886 599 S CB 0.765 63.729 63.200 -0.394 0.000 1.109 599 S HN 0.485 nan 8.310 nan 0.000 0.458 600 H N 2.962 121.904 119.070 -0.212 0.000 2.552 600 H HA 0.341 4.899 4.556 0.003 0.000 0.311 600 H C -1.108 174.159 175.328 -0.101 0.000 1.071 600 H CA 0.018 56.020 56.048 -0.077 0.000 1.307 600 H CB 0.592 30.355 29.762 0.002 0.000 1.416 600 H HN 0.495 nan 8.280 nan 0.000 0.464 601 Y N 2.076 122.509 120.300 0.220 0.000 2.387 601 Y HA 0.259 4.811 4.550 0.003 0.000 0.336 601 Y C 0.037 176.062 175.900 0.208 0.000 1.067 601 Y CA -0.976 57.254 58.100 0.216 0.000 1.114 601 Y CB 1.615 40.224 38.460 0.248 0.000 1.208 601 Y HN 0.442 nan 8.280 nan 0.000 0.458 602 L N 4.770 126.225 121.223 0.387 0.000 2.372 602 L HA 0.742 5.084 4.340 0.003 0.000 0.274 602 L C -2.057 175.037 176.870 0.373 0.000 0.988 602 L CA -0.441 54.592 54.840 0.322 0.000 0.833 602 L CB 0.718 42.933 42.059 0.260 0.000 1.236 602 L HN 0.514 nan 8.230 nan 0.000 0.410 603 L N 4.785 126.196 121.223 0.313 0.000 2.323 603 L HA 0.767 5.109 4.340 0.003 0.000 0.265 603 L C -0.755 176.280 176.870 0.275 0.000 1.012 603 L CA -0.549 54.487 54.840 0.327 0.000 0.820 603 L CB 1.973 44.190 42.059 0.264 0.000 1.334 603 L HN 0.703 nan 8.230 nan 0.000 0.427 604 C N 1.518 121.002 119.300 0.306 0.000 2.679 604 C HA 0.858 5.320 4.460 0.003 0.000 0.354 604 C C -0.021 175.117 174.990 0.247 0.000 1.067 604 C CA -0.546 58.619 59.018 0.244 0.000 1.317 604 C CB -0.143 27.734 27.740 0.229 0.000 1.843 604 C HN 0.985 nan 8.230 nan 0.000 0.459 605 A N 6.557 129.473 122.820 0.161 0.000 2.331 605 A HA 0.757 5.079 4.320 0.003 0.000 0.283 605 A C -0.478 177.167 177.584 0.102 0.000 1.142 605 A CA -0.211 51.902 52.037 0.127 0.000 0.812 605 A CB 0.427 19.468 19.000 0.068 0.000 1.074 605 A HN 0.943 nan 8.150 nan 0.000 0.497 606 L N 1.671 122.962 121.223 0.113 0.000 2.331 606 L HA 0.538 4.880 4.340 0.003 0.000 0.268 606 L C 1.655 178.535 176.870 0.018 0.000 1.015 606 L CA -0.604 54.275 54.840 0.065 0.000 0.807 606 L CB 1.370 43.506 42.059 0.128 0.000 1.293 606 L HN 0.816 nan 8.230 nan 0.000 0.451 607 G N -0.531 108.258 108.800 -0.018 0.000 2.679 607 G HA2 -0.161 3.801 3.960 0.003 0.000 0.212 607 G HA3 -0.161 3.801 3.960 0.003 0.000 0.212 607 G C 0.687 175.577 174.900 -0.018 0.000 1.137 607 G CA 0.455 45.535 45.100 -0.034 0.000 0.787 607 G HN 0.827 nan 8.290 nan 0.000 0.534 608 D N -1.121 119.280 120.400 0.002 0.000 2.339 608 D HA 0.203 4.845 4.640 0.003 0.000 0.217 608 D C 1.719 178.017 176.300 -0.002 0.000 1.050 608 D CA 0.592 54.594 54.000 0.003 0.000 0.856 608 D CB -0.286 40.525 40.800 0.019 0.000 0.922 608 D HN 0.383 nan 8.370 nan 0.000 0.518 609 G N -0.259 108.539 108.800 -0.004 0.000 2.234 609 G HA2 -0.152 3.810 3.960 0.003 0.000 0.235 609 G HA3 -0.152 3.810 3.960 0.003 0.000 0.235 609 G C 0.539 175.436 174.900 -0.005 0.000 0.997 609 G CA 0.115 45.206 45.100 -0.014 0.000 0.623 609 G HN 0.799 nan 8.290 nan 0.000 0.514 610 A N -0.173 122.652 122.820 0.007 0.000 2.304 610 A HA 0.841 5.163 4.320 0.003 0.000 0.271 610 A C -0.082 177.521 177.584 0.031 0.000 1.091 610 A CA 0.461 52.491 52.037 -0.011 0.000 0.812 610 A CB 1.075 20.041 19.000 -0.056 0.000 1.056 610 A HN 1.507 nan 8.150 nan 0.000 0.489 611 L N 0.625 121.855 121.223 0.011 0.000 2.464 611 L HA 0.696 5.038 4.340 0.003 0.000 0.266 611 L C -1.728 175.221 176.870 0.131 0.000 0.965 611 L CA -0.589 54.337 54.840 0.144 0.000 0.833 611 L CB 1.441 43.599 42.059 0.166 0.000 1.296 611 L HN 0.660 nan 8.230 nan 0.000 0.405 612 F N 3.834 123.928 119.950 0.240 0.000 2.399 612 F HA 0.554 5.083 4.527 0.003 0.000 0.334 612 F C -0.494 175.456 175.800 0.249 0.000 1.097 612 F CA -0.244 57.852 58.000 0.159 0.000 1.076 612 F CB 1.273 40.396 39.000 0.206 0.000 1.162 612 F HN 0.297 nan 8.300 nan 0.000 0.495 613 Y N 0.562 120.806 120.300 -0.094 0.000 2.442 613 Y HA 0.821 5.373 4.550 0.003 0.000 0.344 613 Y C -1.561 174.079 175.900 -0.433 0.000 0.976 613 Y CA -2.669 55.374 58.100 -0.095 0.000 1.040 613 Y CB 0.907 39.349 38.460 -0.030 0.000 1.228 613 Y HN 0.443 nan 8.280 nan 0.000 0.451 614 F N 0.195 120.314 119.950 0.282 0.000 2.711 614 F HA 0.825 5.354 4.527 0.003 0.000 0.313 614 F C 0.210 176.139 175.800 0.215 0.000 1.141 614 F CA -1.355 56.759 58.000 0.189 0.000 0.941 614 F CB 2.493 41.582 39.000 0.148 0.000 1.349 614 F HN 0.850 nan 8.300 nan 0.000 0.464 615 G N 1.112 110.126 108.800 0.356 0.000 2.495 615 G HA2 0.637 4.599 3.960 0.003 0.000 0.318 615 G HA3 0.637 4.599 3.960 0.003 0.000 0.318 615 G C -1.989 173.007 174.900 0.159 0.000 1.257 615 G CA -0.508 44.716 45.100 0.207 0.000 0.962 615 G HN 0.465 nan 8.290 nan 0.000 0.483 616 L N 0.631 121.930 121.223 0.127 0.000 2.491 616 L HA 0.675 5.017 4.340 0.003 0.000 0.264 616 L C -0.404 176.500 176.870 0.057 0.000 1.053 616 L CA -1.181 53.715 54.840 0.094 0.000 0.858 616 L CB 1.710 43.833 42.059 0.106 0.000 1.519 616 L HN 0.512 nan 8.230 nan 0.000 0.508 617 N N 0.955 119.663 118.700 0.014 0.000 2.533 617 N HA 0.275 5.017 4.740 0.003 0.000 0.289 617 N C 0.789 176.234 175.510 -0.108 0.000 1.103 617 N CA -0.112 52.919 53.050 -0.031 0.000 0.877 617 N CB 1.776 40.251 38.487 -0.021 0.000 1.419 617 N HN 0.654 nan 8.380 nan 0.000 0.517 618 I N -1.026 119.386 120.570 -0.264 0.000 2.335 618 I HA -0.200 3.972 4.170 0.003 0.000 0.251 618 I C 1.557 177.580 176.117 -0.156 0.000 1.129 618 I CA 1.313 62.422 61.300 -0.318 0.000 1.402 618 I CB 0.002 37.656 38.000 -0.577 0.000 1.069 618 I HN 0.257 nan 8.210 nan 0.000 0.424 619 E N 1.305 121.439 120.200 -0.109 0.000 2.042 619 E HA -0.067 4.285 4.350 0.003 0.000 0.189 619 E C 2.282 178.854 176.600 -0.046 0.000 0.974 619 E CA 2.151 58.514 56.400 -0.062 0.000 0.806 619 E CB -0.317 29.359 29.700 -0.041 0.000 0.769 619 E HN 0.758 nan 8.360 nan 0.000 0.451 620 T N -2.768 111.762 114.554 -0.040 0.000 3.391 620 T HA 0.426 4.778 4.350 0.003 0.000 0.233 620 T C 0.973 175.659 174.700 -0.024 0.000 0.960 620 T CA 0.494 62.577 62.100 -0.028 0.000 1.342 620 T CB 0.072 68.925 68.868 -0.025 0.000 1.124 620 T HN 0.305 nan 8.240 nan 0.000 0.396 621 G N 1.446 110.234 108.800 -0.020 0.000 3.445 621 G HA2 0.181 4.143 3.960 0.003 0.000 0.680 621 G HA3 0.181 4.143 3.960 0.003 0.000 0.680 621 G C -0.861 174.042 174.900 0.005 0.000 0.972 621 G CA -0.191 44.907 45.100 -0.004 0.000 0.798 621 G HN 0.674 nan 8.290 nan 0.000 0.461 622 L N 2.119 123.336 121.223 -0.012 0.000 3.229 622 L HA 0.718 5.060 4.340 0.003 0.000 0.223 622 L C 0.708 177.523 176.870 -0.092 0.000 1.885 622 L CA -0.522 54.277 54.840 -0.069 0.000 2.144 622 L CB -0.508 41.420 42.059 -0.218 0.000 2.065 622 L HN 0.770 nan 8.230 nan 0.000 0.591 623 L N -0.111 120.852 121.223 -0.433 0.000 2.375 623 L HA 0.718 5.060 4.340 0.003 0.000 0.268 623 L C 0.099 176.969 176.870 -0.001 0.000 1.058 623 L CA 0.170 54.869 54.840 -0.234 0.000 0.803 623 L CB 1.612 43.424 42.059 -0.412 0.000 1.212 623 L HN 0.822 nan 8.230 nan 0.000 0.451 624 S N 0.443 116.283 115.700 0.233 0.000 4.297 624 S HA 0.436 4.908 4.470 0.003 0.000 0.226 624 S C -1.040 173.751 174.600 0.319 0.000 1.134 624 S CA -0.763 57.600 58.200 0.271 0.000 1.591 624 S CB 0.424 63.800 63.200 0.294 0.000 1.393 624 S HN 0.571 nan 8.310 nan 0.000 0.727 625 D N 1.366 121.881 120.400 0.190 0.000 2.283 625 D HA 0.556 5.198 4.640 0.003 0.000 0.248 625 D C -0.608 175.355 176.300 -0.563 0.000 1.072 625 D CA -0.052 53.893 54.000 -0.092 0.000 0.929 625 D CB 0.602 41.312 40.800 -0.151 0.000 1.182 625 D HN 0.348 nan 8.370 nan 0.000 0.433 626 R N 1.562 121.794 120.500 -0.446 0.000 2.472 626 R HA 0.369 4.711 4.340 0.003 0.000 0.294 626 R C -0.197 175.809 176.300 -0.491 0.000 1.243 626 R CA -0.572 55.194 56.100 -0.557 0.000 1.023 626 R CB 1.298 31.655 30.300 0.096 0.000 1.157 626 R HN 0.228 nan 8.270 nan 0.000 0.530 627 K N 1.347 121.216 120.400 -0.885 0.000 2.409 627 K HA 0.507 4.829 4.320 0.003 0.000 0.252 627 K C -0.968 175.176 176.600 -0.761 0.000 1.036 627 K CA -1.092 54.716 56.287 -0.798 0.000 0.871 627 K CB 2.788 34.790 32.500 -0.830 0.000 1.374 627 K HN 0.085 nan 8.250 nan 0.000 0.459 628 K N 1.725 121.895 120.400 -0.384 0.000 2.615 628 K HA 0.251 4.573 4.320 0.003 0.000 0.249 628 K C -0.541 175.987 176.600 -0.120 0.000 0.977 628 K CA -0.424 55.615 56.287 -0.414 0.000 0.833 628 K CB 1.424 33.533 32.500 -0.651 0.000 1.208 628 K HN 0.554 nan 8.250 nan 0.000 0.443 629 V N 0.244 120.146 119.914 -0.019 0.000 4.251 629 V HA 0.565 4.687 4.120 0.003 0.000 0.277 629 V C 0.616 176.705 176.094 -0.008 0.000 1.292 629 V CA -0.178 62.142 62.300 0.034 0.000 0.841 629 V CB 1.151 33.055 31.823 0.134 0.000 1.273 629 V HN 0.833 nan 8.190 nan 0.000 0.441 630 T N -1.575 112.988 114.554 0.016 0.000 3.622 630 T HA 0.286 4.638 4.350 0.003 0.000 0.312 630 T C 0.887 175.579 174.700 -0.013 0.000 0.888 630 T CA 0.034 62.131 62.100 -0.005 0.000 0.957 630 T CB -0.550 68.315 68.868 -0.005 0.000 1.200 630 T HN 0.514 nan 8.240 nan 0.000 0.633 631 L N 1.058 122.272 121.223 -0.015 0.000 2.702 631 L HA -0.151 4.191 4.340 0.003 0.000 0.244 631 L C 2.009 178.843 176.870 -0.061 0.000 1.598 631 L CA 1.892 56.697 54.840 -0.059 0.000 0.886 631 L CB -1.825 40.175 42.059 -0.099 0.000 1.234 631 L HN 0.460 nan 8.230 nan 0.000 0.406 632 G N -1.369 107.391 108.800 -0.067 0.000 2.631 632 G HA2 0.223 4.185 3.960 0.003 0.000 0.271 632 G HA3 0.223 4.185 3.960 0.003 0.000 0.271 632 G C 0.950 175.825 174.900 -0.041 0.000 1.302 632 G CA 0.485 45.550 45.100 -0.059 0.000 1.002 632 G HN 0.696 nan 8.290 nan 0.000 0.519 633 T N -3.074 111.457 114.554 -0.038 0.000 3.015 633 T HA 0.166 4.518 4.350 0.003 0.000 0.250 633 T C 0.869 175.551 174.700 -0.030 0.000 1.057 633 T CA 0.126 62.210 62.100 -0.028 0.000 1.066 633 T CB 0.208 69.061 68.868 -0.024 0.000 0.959 633 T HN 0.292 nan 8.240 nan 0.000 0.488 634 Q N 2.701 122.476 119.800 -0.041 0.000 2.354 634 Q HA 0.383 4.725 4.340 0.003 0.000 0.244 634 Q C -2.458 173.512 176.000 -0.051 0.000 0.969 634 Q CA -2.762 53.012 55.803 -0.048 0.000 0.885 634 Q CB 0.438 29.137 28.738 -0.065 0.000 1.241 634 Q HN 0.261 nan 8.270 nan 0.000 0.461 635 P HA -0.029 nan 4.420 nan 0.000 0.266 635 P C -0.676 176.585 177.300 -0.065 0.000 1.193 635 P CA 0.253 63.324 63.100 -0.048 0.000 0.770 635 P CB 0.391 32.062 31.700 -0.049 0.000 0.836 636 T N 1.473 115.999 114.554 -0.046 0.000 2.792 636 T HA 0.356 4.708 4.350 0.003 0.000 0.280 636 T C -0.122 174.558 174.700 -0.034 0.000 0.990 636 T CA -0.514 61.555 62.100 -0.051 0.000 0.960 636 T CB 0.897 69.743 68.868 -0.035 0.000 0.939 636 T HN 0.078 nan 8.240 nan 0.000 0.439 637 V N 4.715 124.597 119.914 -0.053 0.000 2.383 637 V HA 0.421 4.543 4.120 0.003 0.000 0.275 637 V C 0.043 176.152 176.094 0.025 0.000 1.036 637 V CA -0.883 61.410 62.300 -0.012 0.000 0.889 637 V CB 0.586 32.381 31.823 -0.046 0.000 0.985 637 V HN 0.729 nan 8.190 nan 0.000 0.459 638 L N 5.157 126.411 121.223 0.051 0.000 2.334 638 L HA 0.801 5.143 4.340 0.003 0.000 0.277 638 L C 0.107 177.026 176.870 0.082 0.000 1.075 638 L CA -0.177 54.706 54.840 0.071 0.000 0.804 638 L CB 1.414 43.517 42.059 0.073 0.000 1.174 638 L HN 0.678 nan 8.230 nan 0.000 0.438 639 R N 0.403 120.967 120.500 0.107 0.000 2.733 639 R HA 0.602 4.944 4.340 0.003 0.000 0.272 639 R C -1.569 174.808 176.300 0.128 0.000 1.029 639 R CA -0.463 55.688 56.100 0.086 0.000 0.888 639 R CB 2.104 32.414 30.300 0.017 0.000 1.251 639 R HN 0.528 nan 8.270 nan 0.000 0.464 640 T N 2.302 116.899 114.554 0.072 0.000 2.861 640 T HA 0.660 5.012 4.350 0.003 0.000 0.287 640 T C -1.360 173.355 174.700 0.026 0.000 1.003 640 T CA -0.377 61.724 62.100 0.002 0.000 0.977 640 T CB 0.473 69.271 68.868 -0.116 0.000 0.996 640 T HN 0.363 nan 8.240 nan 0.000 0.448 641 F N 0.484 120.412 119.950 -0.038 0.000 2.561 641 F HA 0.756 5.285 4.527 0.003 0.000 0.321 641 F C -0.102 175.686 175.800 -0.018 0.000 1.065 641 F CA -1.629 56.345 58.000 -0.044 0.000 0.934 641 F CB 1.162 40.138 39.000 -0.039 0.000 1.215 641 F HN 0.362 nan 8.300 nan 0.000 0.471 642 R N 1.880 122.479 120.500 0.164 0.000 2.340 642 R HA 0.564 4.906 4.340 0.003 0.000 0.300 642 R C -0.381 176.054 176.300 0.226 0.000 1.069 642 R CA 0.490 56.660 56.100 0.116 0.000 0.984 642 R CB 0.802 31.160 30.300 0.096 0.000 1.003 642 R HN 1.139 nan 8.270 nan 0.000 0.459 643 S N 4.703 120.508 115.700 0.175 0.000 4.143 643 S HA 0.264 4.736 4.470 0.003 0.000 0.215 643 S C 0.477 175.175 174.600 0.163 0.000 1.163 643 S CA -0.570 57.773 58.200 0.240 0.000 1.458 643 S CB -0.378 63.055 63.200 0.390 0.000 1.636 643 S HN 0.551 nan 8.310 nan 0.000 0.716 644 L N 1.096 122.421 121.223 0.170 0.000 2.977 644 L HA 0.594 4.936 4.340 0.003 0.000 0.175 644 L C 1.983 178.911 176.870 0.097 0.000 1.360 644 L CA 0.110 55.025 54.840 0.125 0.000 1.392 644 L CB -0.478 41.656 42.059 0.124 0.000 2.342 644 L HN 0.806 nan 8.230 nan 0.000 0.524 645 S N -0.889 114.864 115.700 0.088 0.000 2.399 645 S HA -0.133 4.339 4.470 0.003 0.000 0.231 645 S C 1.134 175.781 174.600 0.079 0.000 1.022 645 S CA 0.896 59.141 58.200 0.075 0.000 0.983 645 S CB -1.302 61.941 63.200 0.073 0.000 0.803 645 S HN 0.869 nan 8.310 nan 0.000 0.480 646 T N 1.867 116.489 114.554 0.114 0.000 3.029 646 T HA 0.511 4.863 4.350 0.003 0.000 0.346 646 T C 0.032 174.806 174.700 0.123 0.000 1.211 646 T CA -0.404 61.787 62.100 0.152 0.000 1.009 646 T CB 0.305 69.313 68.868 0.234 0.000 1.084 646 T HN 0.401 nan 8.240 nan 0.000 0.536 647 T N 2.614 117.148 114.554 -0.033 0.000 2.913 647 T HA 0.451 4.803 4.350 0.003 0.000 0.297 647 T C 0.017 174.468 174.700 -0.414 0.000 1.029 647 T CA -0.781 61.179 62.100 -0.233 0.000 1.104 647 T CB 0.692 69.419 68.868 -0.234 0.000 0.964 647 T HN 0.666 nan 8.240 nan 0.000 0.532 648 N N 0.552 118.679 118.700 -0.955 0.000 3.091 648 N HA 0.486 5.228 4.740 0.003 0.000 0.329 648 N C -1.306 173.828 175.510 -0.627 0.000 1.430 648 N CA -0.750 51.940 53.050 -0.599 0.000 0.755 648 N CB 1.834 40.099 38.487 -0.369 0.000 1.626 648 N HN 0.465 nan 8.380 nan 0.000 0.614 649 V N 1.441 121.344 119.914 -0.019 0.000 2.350 649 V HA 0.335 4.457 4.120 0.003 0.000 0.276 649 V C -0.667 175.588 176.094 0.268 0.000 1.028 649 V CA -0.588 61.791 62.300 0.133 0.000 0.860 649 V CB 0.199 32.079 31.823 0.094 0.000 0.990 649 V HN 0.484 nan 8.190 nan 0.000 0.453 650 F N 4.190 124.264 119.950 0.207 0.000 2.415 650 F HA 0.727 5.256 4.527 0.003 0.000 0.348 650 F C 0.459 176.208 175.800 -0.086 0.000 1.119 650 F CA -0.513 57.490 58.000 0.005 0.000 1.069 650 F CB 0.983 39.948 39.000 -0.059 0.000 1.124 650 F HN 0.554 nan 8.300 nan 0.000 0.472 651 A N 5.817 128.550 122.820 -0.144 0.000 2.271 651 A HA 0.542 4.864 4.320 0.003 0.000 0.317 651 A C -1.068 176.528 177.584 0.020 0.000 1.245 651 A CA -0.514 51.484 52.037 -0.065 0.000 0.857 651 A CB 0.166 19.021 19.000 -0.241 0.000 1.175 651 A HN 0.847 nan 8.150 nan 0.000 0.512 652 C N 2.304 121.663 119.300 0.098 0.000 2.347 652 C HA 0.803 5.264 4.460 0.003 0.000 0.353 652 C C 0.962 175.910 174.990 -0.071 0.000 1.273 652 C CA 0.064 59.113 59.018 0.051 0.000 1.861 652 C CB -0.356 27.341 27.740 -0.071 0.000 2.420 652 C HN 0.938 nan 8.230 nan 0.000 0.542 653 S N 0.398 116.050 115.700 -0.081 0.000 2.727 653 S HA 0.269 4.741 4.470 0.003 0.000 0.278 653 S C 0.393 174.938 174.600 -0.092 0.000 1.186 653 S CA -0.481 57.660 58.200 -0.099 0.000 0.836 653 S CB 1.094 64.235 63.200 -0.099 0.000 1.186 653 S HN 0.844 nan 8.310 nan 0.000 0.499 654 D N 0.363 120.713 120.400 -0.084 0.000 2.264 654 D HA -0.086 4.556 4.640 0.003 0.000 0.208 654 D C 0.475 176.731 176.300 -0.072 0.000 0.966 654 D CA 0.688 54.645 54.000 -0.072 0.000 0.864 654 D CB 0.180 40.943 40.800 -0.060 0.000 0.933 654 D HN 0.124 nan 8.370 nan 0.000 0.499 655 R N 1.491 121.941 120.500 -0.084 0.000 2.505 655 R HA 0.246 4.588 4.340 0.003 0.000 0.284 655 R C -2.598 173.619 176.300 -0.138 0.000 1.324 655 R CA -1.747 54.293 56.100 -0.099 0.000 1.432 655 R CB 1.343 31.588 30.300 -0.091 0.000 1.107 655 R HN 0.030 nan 8.270 nan 0.000 0.587 656 P HA -0.012 nan 4.420 nan 0.000 0.264 656 P C -0.756 176.333 177.300 -0.353 0.000 1.183 656 P CA 0.407 63.390 63.100 -0.194 0.000 0.763 656 P CB 0.921 32.563 31.700 -0.096 0.000 0.807 657 T N 1.827 116.054 114.554 -0.545 0.000 2.912 657 T HA 0.345 4.697 4.350 0.003 0.000 0.299 657 T C -0.356 173.856 174.700 -0.813 0.000 1.052 657 T CA -0.497 61.257 62.100 -0.576 0.000 0.996 657 T CB 1.463 70.041 68.868 -0.483 0.000 1.070 657 T HN 0.015 nan 8.240 nan 0.000 0.465 658 V N 3.263 122.779 119.914 -0.664 0.000 2.539 658 V HA 0.517 4.639 4.120 0.003 0.000 0.292 658 V C -0.293 175.529 176.094 -0.454 0.000 1.045 658 V CA -0.708 61.236 62.300 -0.593 0.000 0.945 658 V CB 1.404 32.919 31.823 -0.514 0.000 0.993 658 V HN 0.750 nan 8.190 nan 0.000 0.464 659 I N 5.340 125.683 120.570 -0.380 0.000 2.428 659 I HA 0.352 4.524 4.170 0.003 0.000 0.279 659 I C -0.420 175.589 176.117 -0.180 0.000 1.040 659 I CA -0.126 60.994 61.300 -0.300 0.000 1.171 659 I CB 0.569 38.353 38.000 -0.361 0.000 1.312 659 I HN 0.555 nan 8.210 nan 0.000 0.470 660 Y N 3.087 123.331 120.300 -0.093 0.000 3.133 660 Y HA 0.402 4.954 4.550 0.003 0.000 0.467 660 Y C 0.911 176.601 175.900 -0.350 0.000 1.219 660 Y CA -0.004 58.038 58.100 -0.098 0.000 1.802 660 Y CB 0.494 38.952 38.460 -0.003 0.000 1.541 660 Y HN 0.334 nan 8.280 nan 0.000 0.778 661 S N -1.128 114.568 115.700 -0.007 0.000 2.562 661 S HA 0.280 4.752 4.470 0.003 0.000 0.274 661 S C -0.392 174.178 174.600 -0.051 0.000 1.160 661 S CA -0.782 57.318 58.200 -0.167 0.000 0.933 661 S CB 1.806 64.873 63.200 -0.220 0.000 1.100 661 S HN 0.455 nan 8.310 nan 0.000 0.468 662 S N 2.160 117.827 115.700 -0.054 0.000 2.792 662 S HA 0.098 4.570 4.470 0.003 0.000 0.177 662 S C 1.694 176.303 174.600 0.016 0.000 1.171 662 S CA 0.947 59.138 58.200 -0.016 0.000 1.839 662 S CB -0.466 62.721 63.200 -0.023 0.000 0.559 662 S HN 0.835 nan 8.310 nan 0.000 0.458 663 N N 0.756 119.472 118.700 0.027 0.000 2.025 663 N HA -0.142 4.600 4.740 0.003 0.000 0.194 663 N C 1.380 176.974 175.510 0.140 0.000 1.044 663 N CA 2.188 55.275 53.050 0.060 0.000 0.851 663 N CB -0.378 38.131 38.487 0.036 0.000 1.036 663 N HN 0.724 nan 8.380 nan 0.000 0.422 664 H N -1.268 117.821 119.070 0.031 0.000 3.650 664 H HA 0.297 4.855 4.556 0.003 0.000 0.260 664 H C 0.039 175.417 175.328 0.084 0.000 1.194 664 H CA -0.426 55.662 56.048 0.066 0.000 1.135 664 H CB 0.579 30.382 29.762 0.069 0.000 1.612 664 H HN 0.015 nan 8.280 nan 0.000 0.703 665 K N 0.837 121.221 120.400 -0.028 0.000 3.063 665 K HA 0.361 4.683 4.320 0.003 0.000 0.353 665 K C -0.340 176.146 176.600 -0.190 0.000 1.008 665 K CA -0.070 56.166 56.287 -0.086 0.000 1.228 665 K CB 0.463 32.932 32.500 -0.051 0.000 1.165 665 K HN 0.053 nan 8.250 nan 0.000 0.495 666 L N 0.595 121.714 121.223 -0.174 0.000 2.588 666 L HA 0.240 4.582 4.340 0.003 0.000 0.263 666 L C -0.837 176.016 176.870 -0.029 0.000 0.935 666 L CA -0.855 53.849 54.840 -0.227 0.000 0.891 666 L CB 1.882 43.741 42.059 -0.333 0.000 1.318 666 L HN 0.169 nan 8.230 nan 0.000 0.409 667 V N 1.615 121.555 119.914 0.043 0.000 3.003 667 V HA 0.284 4.406 4.120 0.003 0.000 0.305 667 V C -0.448 175.812 176.094 0.277 0.000 1.078 667 V CA 0.124 62.513 62.300 0.149 0.000 1.083 667 V CB 1.369 33.288 31.823 0.160 0.000 1.039 667 V HN 0.519 nan 8.190 nan 0.000 0.481 668 F N 1.062 120.959 119.950 -0.088 0.000 2.566 668 F HA 0.383 4.912 4.527 0.003 0.000 0.347 668 F C 0.556 176.292 175.800 -0.106 0.000 1.515 668 F CA -0.263 57.660 58.000 -0.128 0.000 1.103 668 F CB 0.807 39.708 39.000 -0.165 0.000 1.385 668 F HN 0.405 nan 8.300 nan 0.000 0.560 669 S N 0.355 116.041 115.700 -0.024 0.000 2.617 669 S HA 0.389 4.861 4.470 0.003 0.000 0.283 669 S C 0.128 174.650 174.600 -0.129 0.000 1.189 669 S CA -0.869 57.306 58.200 -0.040 0.000 1.036 669 S CB 1.044 64.251 63.200 0.011 0.000 1.014 669 S HN 0.261 nan 8.310 nan 0.000 0.522 670 N N 0.775 119.407 118.700 -0.114 0.000 2.453 670 N HA 0.183 4.925 4.740 0.003 0.000 0.253 670 N C -0.814 174.599 175.510 -0.161 0.000 1.252 670 N CA -0.033 52.928 53.050 -0.148 0.000 0.917 670 N CB 0.598 39.019 38.487 -0.109 0.000 1.117 670 N HN 0.232 nan 8.380 nan 0.000 0.442 671 V N 2.192 121.984 119.914 -0.203 0.000 2.398 671 V HA 0.112 4.234 4.120 0.003 0.000 0.286 671 V C 0.173 176.199 176.094 -0.114 0.000 1.026 671 V CA -0.926 61.265 62.300 -0.181 0.000 0.868 671 V CB 1.163 32.824 31.823 -0.270 0.000 0.982 671 V HN 0.506 nan 8.190 nan 0.000 0.443 672 N N 6.346 124.996 118.700 -0.084 0.000 2.744 672 N HA 0.302 5.044 4.740 0.003 0.000 0.290 672 N C -0.827 174.655 175.510 -0.047 0.000 1.206 672 N CA 0.374 53.391 53.050 -0.056 0.000 1.119 672 N CB -0.102 38.362 38.487 -0.039 0.000 1.449 672 N HN 0.524 nan 8.380 nan 0.000 0.514 673 L N 0.556 121.750 121.223 -0.048 0.000 2.513 673 L HA 0.197 4.539 4.340 0.003 0.000 0.261 673 L C 1.185 178.032 176.870 -0.038 0.000 0.945 673 L CA -0.725 54.093 54.840 -0.037 0.000 0.848 673 L CB 2.415 44.457 42.059 -0.029 0.000 1.334 673 L HN 0.049 nan 8.230 nan 0.000 0.407 674 K N 1.758 122.139 120.400 -0.032 0.000 2.013 674 K HA -0.147 4.175 4.320 0.003 0.000 0.225 674 K C 0.207 176.782 176.600 -0.041 0.000 1.056 674 K CA 2.021 58.288 56.287 -0.033 0.000 0.971 674 K CB 0.136 32.620 32.500 -0.027 0.000 0.731 674 K HN 0.631 nan 8.250 nan 0.000 0.450 675 E N -1.175 118.998 120.200 -0.044 0.000 2.451 675 E HA 0.243 4.595 4.350 0.003 0.000 0.295 675 E C -1.922 174.642 176.600 -0.059 0.000 0.966 675 E CA -0.615 55.752 56.400 -0.056 0.000 0.808 675 E CB 1.645 31.309 29.700 -0.060 0.000 1.242 675 E HN -0.022 nan 8.360 nan 0.000 0.412 676 V N 4.579 124.459 119.914 -0.057 0.000 2.448 676 V HA 0.290 4.412 4.120 0.003 0.000 0.295 676 V C 0.447 176.448 176.094 -0.154 0.000 1.025 676 V CA -0.739 61.517 62.300 -0.075 0.000 0.859 676 V CB 1.518 33.346 31.823 0.008 0.000 0.988 676 V HN 0.678 nan 8.190 nan 0.000 0.431 677 N N 2.517 121.080 118.700 -0.229 0.000 2.349 677 N HA 0.133 4.875 4.740 0.003 0.000 0.180 677 N C -0.426 174.556 175.510 -0.881 0.000 1.024 677 N CA 1.180 53.944 53.050 -0.476 0.000 0.869 677 N CB 0.238 38.509 38.487 -0.359 0.000 1.022 677 N HN 0.685 nan 8.380 nan 0.000 0.433 678 Y N -1.068 119.131 120.300 -0.168 0.000 2.588 678 Y HA 0.578 5.130 4.550 0.003 0.000 0.343 678 Y C -0.150 175.560 175.900 -0.316 0.000 1.065 678 Y CA -1.095 56.865 58.100 -0.234 0.000 1.038 678 Y CB 1.894 40.193 38.460 -0.269 0.000 1.297 678 Y HN -0.227 nan 8.280 nan 0.000 0.467 679 M N 3.239 122.696 119.600 -0.238 0.000 2.373 679 M HA 0.639 5.121 4.480 0.003 0.000 0.290 679 M C -2.146 173.921 176.300 -0.389 0.000 1.143 679 M CA -0.595 54.447 55.300 -0.431 0.000 0.949 679 M CB 1.336 33.438 32.600 -0.831 0.000 1.756 679 M HN 0.965 nan 8.290 nan 0.000 0.494 680 C N 2.686 121.770 119.300 -0.361 0.000 3.086 680 C HA 0.926 5.388 4.460 0.003 0.000 0.311 680 C C -2.934 171.912 174.990 -0.241 0.000 1.260 680 C CA -1.403 57.444 59.018 -0.285 0.000 1.426 680 C CB 1.752 29.305 27.740 -0.311 0.000 1.826 680 C HN 0.707 nan 8.230 nan 0.000 0.474 681 P HA 0.498 nan 4.420 nan 0.000 0.269 681 P C -0.649 176.512 177.300 -0.232 0.000 1.217 681 P CA 0.172 63.192 63.100 -0.133 0.000 0.783 681 P CB 0.407 32.072 31.700 -0.059 0.000 0.898 682 L N 1.593 122.705 121.223 -0.185 0.000 2.828 682 L HA 0.562 4.904 4.340 0.003 0.000 0.264 682 L C -0.068 176.809 176.870 0.012 0.000 1.106 682 L CA -0.147 54.563 54.840 -0.216 0.000 0.955 682 L CB 1.765 43.723 42.059 -0.168 0.000 1.558 682 L HN 0.288 nan 8.230 nan 0.000 0.386 683 N N -1.261 117.540 118.700 0.167 0.000 1.890 683 N HA 0.024 4.766 4.740 0.003 0.000 0.221 683 N C -0.719 174.948 175.510 0.262 0.000 1.445 683 N CA 0.478 53.689 53.050 0.268 0.000 0.703 683 N CB 0.298 39.012 38.487 0.378 0.000 1.071 683 N HN 0.429 nan 8.380 nan 0.000 0.582 684 S N 0.990 116.855 115.700 0.276 0.000 2.542 684 S HA -0.084 4.388 4.470 0.003 0.000 0.287 684 S C -0.103 174.586 174.600 0.148 0.000 1.315 684 S CA 0.406 58.741 58.200 0.225 0.000 1.037 684 S CB 0.164 63.517 63.200 0.255 0.000 0.822 684 S HN 0.345 nan 8.310 nan 0.000 0.513 685 D N 1.491 121.945 120.400 0.090 0.000 2.541 685 D HA 0.358 5.000 4.640 0.003 0.000 0.231 685 D C 0.772 177.072 176.300 0.000 0.000 1.163 685 D CA 0.292 54.318 54.000 0.042 0.000 1.077 685 D CB -0.606 40.209 40.800 0.025 0.000 1.110 685 D HN 0.667 nan 8.370 nan 0.000 0.499 686 G N 0.401 109.184 108.800 -0.027 0.000 3.288 686 G HA2 -0.147 3.815 3.960 0.003 0.000 0.219 686 G HA3 -0.147 3.815 3.960 0.003 0.000 0.219 686 G C -0.290 174.380 174.900 -0.383 0.000 0.944 686 G CA -0.577 44.406 45.100 -0.196 0.000 0.854 686 G HN 0.251 nan 8.290 nan 0.000 0.632 687 Y N 0.503 120.857 120.300 0.090 0.000 3.034 687 Y HA 0.322 4.874 4.550 0.003 0.000 0.235 687 Y C -2.577 173.374 175.900 0.086 0.000 0.928 687 Y CA -1.916 56.246 58.100 0.103 0.000 1.130 687 Y CB 0.800 39.307 38.460 0.078 0.000 1.239 687 Y HN 0.093 nan 8.280 nan 0.000 0.667 688 P HA 0.013 nan 4.420 nan 0.000 0.271 688 P C 0.698 178.083 177.300 0.142 0.000 1.244 688 P CA 0.227 63.425 63.100 0.163 0.000 0.793 688 P CB 0.612 32.387 31.700 0.124 0.000 0.984 689 D N -0.898 119.574 120.400 0.121 0.000 2.781 689 D HA -0.200 4.442 4.640 0.003 0.000 0.225 689 D C -0.229 176.107 176.300 0.060 0.000 1.177 689 D CA 0.784 54.843 54.000 0.098 0.000 0.620 689 D CB -0.473 40.388 40.800 0.101 0.000 1.038 689 D HN 0.273 nan 8.370 nan 0.000 0.415 690 S N -0.658 115.064 115.700 0.038 0.000 2.616 690 S HA 0.638 5.110 4.470 0.003 0.000 0.277 690 S C -0.028 174.507 174.600 -0.109 0.000 1.234 690 S CA -0.789 57.378 58.200 -0.056 0.000 1.028 690 S CB 1.207 64.373 63.200 -0.057 0.000 0.988 690 S HN 0.257 nan 8.310 nan 0.000 0.522 691 L N 2.635 123.748 121.223 -0.184 0.000 2.346 691 L HA 0.768 5.110 4.340 0.003 0.000 0.274 691 L C 0.024 176.729 176.870 -0.275 0.000 1.007 691 L CA -1.031 53.676 54.840 -0.221 0.000 0.818 691 L CB 1.751 43.661 42.059 -0.248 0.000 1.284 691 L HN 0.788 nan 8.230 nan 0.000 0.424 692 A N 3.461 126.110 122.820 -0.285 0.000 2.340 692 A HA 0.945 5.267 4.320 0.003 0.000 0.331 692 A C -1.001 176.402 177.584 -0.302 0.000 1.140 692 A CA -0.425 51.446 52.037 -0.277 0.000 0.801 692 A CB 1.360 20.212 19.000 -0.246 0.000 1.234 692 A HN 0.569 nan 8.150 nan 0.000 0.469 693 L N 0.866 121.938 121.223 -0.253 0.000 2.737 693 L HA 0.568 4.910 4.340 0.003 0.000 0.261 693 L C -0.076 176.699 176.870 -0.158 0.000 0.949 693 L CA 0.095 54.785 54.840 -0.250 0.000 0.952 693 L CB 1.488 43.376 42.059 -0.285 0.000 1.337 693 L HN 0.899 nan 8.230 nan 0.000 0.430 694 A N 2.821 125.572 122.820 -0.114 0.000 2.324 694 A HA 0.903 5.225 4.320 0.003 0.000 0.330 694 A C -0.311 177.238 177.584 -0.059 0.000 1.165 694 A CA -0.505 51.496 52.037 -0.059 0.000 0.813 694 A CB 0.899 19.892 19.000 -0.013 0.000 1.197 694 A HN 0.735 nan 8.150 nan 0.000 0.484 695 N N 1.089 119.757 118.700 -0.053 0.000 3.061 695 N HA 0.097 4.839 4.740 0.003 0.000 0.346 695 N C 0.636 176.116 175.510 -0.049 0.000 1.392 695 N CA -0.531 52.482 53.050 -0.062 0.000 0.762 695 N CB -0.003 38.450 38.487 -0.057 0.000 1.367 695 N HN 0.453 nan 8.380 nan 0.000 0.607 696 N N -0.369 118.300 118.700 -0.051 0.000 2.111 696 N HA -0.206 4.536 4.740 0.003 0.000 0.197 696 N C -0.638 174.849 175.510 -0.039 0.000 1.011 696 N CA 1.939 54.962 53.050 -0.044 0.000 0.880 696 N CB -0.222 38.243 38.487 -0.037 0.000 1.031 696 N HN 0.667 nan 8.380 nan 0.000 0.444 697 S N -2.611 113.072 115.700 -0.029 0.000 2.325 697 S HA 0.495 4.967 4.470 0.003 0.000 0.228 697 S C -1.127 173.469 174.600 -0.006 0.000 0.942 697 S CA -0.726 57.464 58.200 -0.016 0.000 1.070 697 S CB 0.682 63.878 63.200 -0.007 0.000 1.232 697 S HN 0.062 nan 8.310 nan 0.000 0.405 698 T N 3.025 117.577 114.554 -0.004 0.000 3.510 698 T HA 0.122 4.474 4.350 0.003 0.000 0.438 698 T C -1.149 173.541 174.700 -0.017 0.000 1.204 698 T CA -0.787 61.312 62.100 -0.001 0.000 1.043 698 T CB 0.406 69.271 68.868 -0.006 0.000 1.406 698 T HN 0.950 nan 8.240 nan 0.000 0.427 699 L N 4.132 125.348 121.223 -0.012 0.000 2.436 699 L HA 0.856 5.198 4.340 0.003 0.000 0.265 699 L C 0.344 177.173 176.870 -0.069 0.000 1.168 699 L CA 0.773 55.585 54.840 -0.045 0.000 0.815 699 L CB 0.912 42.948 42.059 -0.039 0.000 1.109 699 L HN 0.911 nan 8.230 nan 0.000 0.462 700 T N 3.291 117.775 114.554 -0.116 0.000 2.885 700 T HA 0.716 5.068 4.350 0.003 0.000 0.322 700 T C -0.912 173.656 174.700 -0.220 0.000 1.387 700 T CA -0.737 61.281 62.100 -0.137 0.000 1.041 700 T CB 1.497 70.306 68.868 -0.099 0.000 1.287 700 T HN 0.753 nan 8.240 nan 0.000 0.491 701 I N -1.809 118.595 120.570 -0.277 0.000 2.752 701 I HA 0.972 5.144 4.170 0.003 0.000 0.295 701 I C -0.236 175.587 176.117 -0.491 0.000 1.219 701 I CA -0.882 60.184 61.300 -0.390 0.000 1.030 701 I CB 1.265 38.922 38.000 -0.573 0.000 1.259 701 I HN 1.381 nan 8.210 nan 0.000 0.423 702 G N 2.725 111.248 108.800 -0.463 0.000 2.325 702 G HA2 0.507 4.469 3.960 0.003 0.000 0.297 702 G HA3 0.507 4.469 3.960 0.003 0.000 0.297 702 G C -0.765 173.978 174.900 -0.262 0.000 1.448 702 G CA 0.016 44.799 45.100 -0.529 0.000 0.838 702 G HN 1.111 nan 8.290 nan 0.000 0.579 703 T N -1.668 112.807 114.554 -0.133 0.000 2.814 703 T HA 0.754 5.106 4.350 0.003 0.000 0.284 703 T C 0.405 174.999 174.700 -0.177 0.000 0.998 703 T CA -0.584 61.477 62.100 -0.065 0.000 0.935 703 T CB 0.888 69.804 68.868 0.081 0.000 1.167 703 T HN 0.563 nan 8.240 nan 0.000 0.545 704 I N 0.698 121.209 120.570 -0.099 0.000 2.910 704 I HA 0.463 4.635 4.170 0.003 0.000 0.310 704 I C 0.390 176.467 176.117 -0.067 0.000 1.043 704 I CA -0.791 60.435 61.300 -0.122 0.000 1.053 704 I CB 1.627 39.592 38.000 -0.058 0.000 1.242 704 I HN 0.709 nan 8.210 nan 0.000 0.452 705 D N 1.250 121.596 120.400 -0.090 0.000 2.149 705 D HA 0.037 4.679 4.640 0.003 0.000 0.291 705 D C 0.945 177.235 176.300 -0.017 0.000 1.134 705 D CA 0.314 54.259 54.000 -0.093 0.000 1.056 705 D CB 0.336 41.011 40.800 -0.209 0.000 1.151 705 D HN 0.633 nan 8.370 nan 0.000 0.479 706 E N -0.746 119.434 120.200 -0.034 0.000 2.928 706 E HA 0.285 4.637 4.350 0.003 0.000 0.352 706 E C 1.010 177.526 176.600 -0.139 0.000 0.523 706 E CA 0.836 57.233 56.400 -0.004 0.000 2.011 706 E CB -0.001 29.765 29.700 0.110 0.000 1.898 706 E HN 0.408 nan 8.360 nan 0.000 0.516 707 I N -1.390 119.060 120.570 -0.199 0.000 4.779 707 I HA -0.067 4.105 4.170 0.003 0.000 0.302 707 I C 0.106 176.132 176.117 -0.150 0.000 1.110 707 I CA -0.177 60.846 61.300 -0.461 0.000 1.434 707 I CB -0.124 37.166 38.000 -1.183 0.000 1.881 707 I HN 0.354 nan 8.210 nan 0.000 0.516 708 Q N 3.593 123.328 119.800 -0.109 0.000 3.067 708 Q HA -0.132 4.210 4.340 0.003 0.000 0.206 708 Q C 0.667 176.671 176.000 0.007 0.000 1.160 708 Q CA 0.367 56.149 55.803 -0.035 0.000 1.181 708 Q CB 0.547 29.274 28.738 -0.018 0.000 1.354 708 Q HN 0.253 nan 8.270 nan 0.000 0.675 709 K N -0.632 119.776 120.400 0.012 0.000 2.155 709 K HA 0.073 4.395 4.320 0.003 0.000 0.203 709 K C 0.283 176.893 176.600 0.016 0.000 1.052 709 K CA 0.515 56.807 56.287 0.009 0.000 0.948 709 K CB 0.178 32.680 32.500 0.002 0.000 0.728 709 K HN 0.517 nan 8.250 nan 0.000 0.448 710 L N 1.143 122.380 121.223 0.023 0.000 2.341 710 L HA 0.241 4.583 4.340 0.003 0.000 0.278 710 L C -0.732 176.171 176.870 0.054 0.000 1.005 710 L CA -1.004 53.855 54.840 0.031 0.000 0.818 710 L CB 1.548 43.610 42.059 0.006 0.000 1.259 710 L HN 0.119 nan 8.230 nan 0.000 0.418 711 H N 3.702 122.758 119.070 -0.024 0.000 2.458 711 H HA 0.633 5.191 4.556 0.003 0.000 0.330 711 H C -1.096 174.211 175.328 -0.035 0.000 1.111 711 H CA -0.285 55.747 56.048 -0.025 0.000 1.245 711 H CB 1.155 30.909 29.762 -0.013 0.000 1.456 711 H HN 0.408 nan 8.280 nan 0.000 0.488 712 I N 5.531 125.700 120.570 -0.668 0.000 2.436 712 I HA 0.328 4.500 4.170 0.003 0.000 0.289 712 I C -0.354 175.391 176.117 -0.620 0.000 1.010 712 I CA -0.819 60.186 61.300 -0.492 0.000 1.098 712 I CB 1.607 39.446 38.000 -0.269 0.000 1.266 712 I HN 0.504 nan 8.210 nan 0.000 0.434 713 R N 5.275 125.516 120.500 -0.431 0.000 2.312 713 R HA 0.381 4.723 4.340 0.003 0.000 0.310 713 R C -1.109 175.021 176.300 -0.283 0.000 1.064 713 R CA -0.332 55.594 56.100 -0.291 0.000 0.983 713 R CB 1.092 31.297 30.300 -0.158 0.000 1.139 713 R HN 0.638 nan 8.270 nan 0.000 0.536 714 T N 3.445 117.859 114.554 -0.233 0.000 2.853 714 T HA 0.094 4.446 4.350 0.003 0.000 0.298 714 T C 0.174 174.746 174.700 -0.213 0.000 0.978 714 T CA -0.037 61.929 62.100 -0.223 0.000 1.152 714 T CB 1.118 69.883 68.868 -0.171 0.000 0.914 714 T HN 0.277 nan 8.240 nan 0.000 0.539 715 V N 7.780 127.548 119.914 -0.244 0.000 2.259 715 V HA 0.242 4.364 4.120 0.003 0.000 0.267 715 V C -2.071 173.907 176.094 -0.194 0.000 1.051 715 V CA -2.146 60.040 62.300 -0.189 0.000 0.830 715 V CB 0.603 32.301 31.823 -0.208 0.000 1.080 715 V HN 0.695 nan 8.190 nan 0.000 0.467 716 P HA 0.100 nan 4.420 nan 0.000 0.261 716 P C 0.567 177.591 177.300 -0.460 0.000 1.203 716 P CA 0.394 63.225 63.100 -0.449 0.000 0.767 716 P CB 0.815 32.186 31.700 -0.548 0.000 0.785 717 L N 2.815 123.794 121.223 -0.407 0.000 2.513 717 L HA 0.058 4.400 4.340 0.003 0.000 0.222 717 L C 0.701 177.493 176.870 -0.130 0.000 1.096 717 L CA 0.207 54.927 54.840 -0.200 0.000 0.857 717 L CB -0.611 41.365 42.059 -0.138 0.000 1.026 717 L HN 0.336 nan 8.230 nan 0.000 0.469 718 Y N -0.492 119.787 120.300 -0.035 0.000 4.899 718 Y HA -0.361 4.191 4.550 0.003 0.000 0.241 718 Y C 0.698 176.588 175.900 -0.017 0.000 0.976 718 Y CA 0.913 59.001 58.100 -0.020 0.000 1.952 718 Y CB -2.158 36.291 38.460 -0.017 0.000 1.496 718 Y HN 0.490 nan 8.280 nan 0.000 0.545 719 E N -0.657 119.548 120.200 0.008 0.000 2.446 719 E HA 0.697 5.049 4.350 0.003 0.000 0.269 719 E C -0.691 175.841 176.600 -0.113 0.000 0.977 719 E CA -0.753 55.636 56.400 -0.019 0.000 0.854 719 E CB 1.359 31.044 29.700 -0.026 0.000 1.545 719 E HN -0.001 nan 8.360 nan 0.000 0.448 720 S N 1.024 116.616 115.700 -0.179 0.000 2.409 720 S HA 0.355 4.827 4.470 0.003 0.000 0.308 720 S C -2.171 172.298 174.600 -0.218 0.000 1.080 720 S CA -1.314 56.728 58.200 -0.264 0.000 1.081 720 S CB 0.026 62.961 63.200 -0.442 0.000 1.009 720 S HN 0.322 nan 8.310 nan 0.000 0.502 721 P HA 0.240 nan 4.420 nan 0.000 0.271 721 P C 0.097 177.322 177.300 -0.126 0.000 1.218 721 P CA -0.458 62.559 63.100 -0.139 0.000 0.780 721 P CB 0.936 32.560 31.700 -0.126 0.000 0.901 722 R N 0.878 121.324 120.500 -0.090 0.000 2.215 722 R HA 0.256 4.598 4.340 0.003 0.000 0.190 722 R C 0.471 176.763 176.300 -0.013 0.000 0.968 722 R CA 0.636 56.705 56.100 -0.052 0.000 1.122 722 R CB 0.212 30.491 30.300 -0.034 0.000 1.151 722 R HN 0.444 nan 8.270 nan 0.000 0.582 723 K N 0.526 120.924 120.400 -0.005 0.000 2.480 723 K HA 0.503 4.825 4.320 0.003 0.000 0.258 723 K C -1.221 175.386 176.600 0.011 0.000 0.990 723 K CA -0.798 55.502 56.287 0.021 0.000 0.857 723 K CB 2.649 35.179 32.500 0.050 0.000 1.384 723 K HN -0.026 nan 8.250 nan 0.000 0.446 724 I N 0.198 120.789 120.570 0.036 0.000 2.644 724 I HA 0.363 4.535 4.170 0.003 0.000 0.291 724 I C -1.615 174.584 176.117 0.137 0.000 1.180 724 I CA -0.269 61.059 61.300 0.046 0.000 1.040 724 I CB 1.315 39.298 38.000 -0.029 0.000 1.255 724 I HN 0.560 nan 8.210 nan 0.000 0.422 725 C N 5.641 125.076 119.300 0.225 0.000 2.634 725 C HA 0.486 4.948 4.460 0.003 0.000 0.313 725 C C -1.054 174.288 174.990 0.587 0.000 1.198 725 C CA -0.557 58.675 59.018 0.356 0.000 1.605 725 C CB 1.607 29.551 27.740 0.339 0.000 2.196 725 C HN 0.644 nan 8.230 nan 0.000 0.486 726 Y N 2.425 122.946 120.300 0.369 0.000 2.417 726 Y HA 0.404 4.956 4.550 0.003 0.000 0.336 726 Y C 0.303 176.248 175.900 0.074 0.000 0.961 726 Y CA -0.101 58.120 58.100 0.202 0.000 1.215 726 Y CB 0.487 39.049 38.460 0.170 0.000 1.120 726 Y HN 0.726 nan 8.280 nan 0.000 0.499 727 Q N 5.638 125.218 119.800 -0.366 0.000 2.566 727 Q HA 0.077 4.419 4.340 0.003 0.000 0.221 727 Q C 1.224 176.709 176.000 -0.859 0.000 1.195 727 Q CA 0.031 55.511 55.803 -0.538 0.000 0.967 727 Q CB 0.496 28.931 28.738 -0.505 0.000 1.337 727 Q HN 0.943 nan 8.270 nan 0.000 0.553 728 E N 2.137 121.720 120.200 -1.028 0.000 2.049 728 E HA -0.243 4.109 4.350 0.003 0.000 0.198 728 E C 1.575 177.955 176.600 -0.367 0.000 1.007 728 E CA 2.110 58.028 56.400 -0.803 0.000 0.809 728 E CB 0.037 29.511 29.700 -0.377 0.000 0.749 728 E HN 0.676 nan 8.360 nan 0.000 0.450 729 V N -0.525 119.223 119.914 -0.277 0.000 2.363 729 V HA -0.262 3.860 4.120 0.003 0.000 0.254 729 V C 1.968 177.973 176.094 -0.148 0.000 1.074 729 V CA 2.348 64.541 62.300 -0.178 0.000 1.069 729 V CB -0.788 30.932 31.823 -0.171 0.000 0.659 729 V HN 0.127 nan 8.190 nan 0.000 0.455 730 S N -0.736 114.853 115.700 -0.185 0.000 2.575 730 S HA 0.119 4.591 4.470 0.003 0.000 0.215 730 S C 0.760 175.330 174.600 -0.051 0.000 0.966 730 S CA 0.286 58.442 58.200 -0.074 0.000 0.911 730 S CB -0.136 63.049 63.200 -0.025 0.000 0.780 730 S HN 0.702 nan 8.310 nan 0.000 0.514 731 Q N -0.018 119.705 119.800 -0.129 0.000 2.435 731 Q HA -0.208 4.134 4.340 0.003 0.000 0.286 731 Q C 0.188 176.131 176.000 -0.096 0.000 1.229 731 Q CA 1.060 56.824 55.803 -0.065 0.000 0.884 731 Q CB -2.732 26.041 28.738 0.057 0.000 1.245 731 Q HN 0.875 nan 8.270 nan 0.000 0.488 732 C N -3.720 115.477 119.300 -0.172 0.000 3.340 732 C HA 0.869 5.331 4.460 0.003 0.000 0.333 732 C C -0.330 174.559 174.990 -0.168 0.000 1.464 732 C CA -1.340 57.573 59.018 -0.175 0.000 1.337 732 C CB 1.618 29.314 27.740 -0.074 0.000 1.740 732 C HN 0.164 nan 8.230 nan 0.000 0.450 733 F N 0.551 120.559 119.950 0.096 0.000 2.492 733 F HA 0.659 5.188 4.527 0.003 0.000 0.327 733 F C 0.993 176.765 175.800 -0.048 0.000 1.079 733 F CA 0.123 58.204 58.000 0.135 0.000 0.967 733 F CB 2.114 41.180 39.000 0.110 0.000 1.169 733 F HN 1.035 nan 8.300 nan 0.000 0.472 734 G N 1.196 110.027 108.800 0.052 0.000 2.371 734 G HA2 0.588 4.550 3.960 0.003 0.000 0.326 734 G HA3 0.588 4.550 3.960 0.003 0.000 0.326 734 G C -1.709 173.111 174.900 -0.133 0.000 1.127 734 G CA -0.558 44.293 45.100 -0.416 0.000 0.885 734 G HN 0.500 nan 8.290 nan 0.000 0.477 735 V N 3.189 123.015 119.914 -0.147 0.000 2.668 735 V HA 0.325 4.447 4.120 0.003 0.000 0.304 735 V C -0.157 175.898 176.094 -0.064 0.000 1.071 735 V CA -0.637 61.620 62.300 -0.070 0.000 0.894 735 V CB 1.758 33.550 31.823 -0.052 0.000 1.008 735 V HN 0.653 nan 8.190 nan 0.000 0.425 736 L N 4.490 125.696 121.223 -0.028 0.000 2.326 736 L HA 0.717 5.059 4.340 0.003 0.000 0.278 736 L C 0.377 177.224 176.870 -0.039 0.000 1.092 736 L CA 0.133 54.980 54.840 0.011 0.000 0.810 736 L CB 1.733 43.815 42.059 0.037 0.000 1.153 736 L HN 0.834 nan 8.230 nan 0.000 0.439 737 S N 1.290 116.953 115.700 -0.062 0.000 2.595 737 S HA 0.689 5.161 4.470 0.003 0.000 0.281 737 S C -0.843 173.582 174.600 -0.291 0.000 1.117 737 S CA -0.732 57.380 58.200 -0.147 0.000 0.873 737 S CB 2.210 65.345 63.200 -0.109 0.000 1.108 737 S HN 0.528 nan 8.310 nan 0.000 0.477 738 S N 0.785 116.275 115.700 -0.349 0.000 2.571 738 S HA 0.710 5.182 4.470 0.003 0.000 0.284 738 S C -0.843 173.592 174.600 -0.276 0.000 1.128 738 S CA -0.904 56.978 58.200 -0.531 0.000 0.970 738 S CB 0.950 63.684 63.200 -0.776 0.000 1.039 738 S HN 1.070 nan 8.310 nan 0.000 0.485 739 R N 3.264 123.642 120.500 -0.202 0.000 2.803 739 R HA 0.745 5.087 4.340 0.003 0.000 0.276 739 R C -1.163 175.121 176.300 -0.028 0.000 0.978 739 R CA -0.896 55.162 56.100 -0.070 0.000 0.939 739 R CB 0.995 31.271 30.300 -0.040 0.000 1.179 739 R HN 0.522 nan 8.270 nan 0.000 0.472 740 I N 1.084 121.678 120.570 0.042 0.000 2.566 740 I HA 0.304 4.476 4.170 0.003 0.000 0.303 740 I C -0.044 176.094 176.117 0.035 0.000 0.983 740 I CA -0.271 61.062 61.300 0.056 0.000 1.235 740 I CB 1.633 39.688 38.000 0.092 0.000 1.386 740 I HN 0.670 nan 8.210 nan 0.000 0.494 741 E N 3.381 123.602 120.200 0.035 0.000 2.413 741 E HA 0.532 4.884 4.350 0.003 0.000 0.277 741 E C -1.621 174.996 176.600 0.030 0.000 0.958 741 E CA -0.801 55.616 56.400 0.028 0.000 0.779 741 E CB 2.893 32.610 29.700 0.029 0.000 1.278 741 E HN 0.341 nan 8.360 nan 0.000 0.456 742 V N -1.124 118.805 119.914 0.024 0.000 2.815 742 V HA 0.440 4.562 4.120 0.003 0.000 0.314 742 V C -0.216 175.893 176.094 0.026 0.000 1.064 742 V CA -1.028 61.286 62.300 0.023 0.000 0.952 742 V CB 1.526 33.358 31.823 0.015 0.000 1.020 742 V HN 0.767 nan 8.190 nan 0.000 0.439 743 Q N 1.371 121.188 119.800 0.028 0.000 2.263 743 Q HA 0.159 4.501 4.340 0.003 0.000 0.289 743 Q C -0.602 175.412 176.000 0.023 0.000 1.061 743 Q CA 0.121 55.942 55.803 0.029 0.000 0.927 743 Q CB 0.510 29.265 28.738 0.029 0.000 1.154 743 Q HN 0.799 nan 8.270 nan 0.000 0.378 744 D N 2.204 122.619 120.400 0.024 0.000 2.383 744 D HA 0.058 4.700 4.640 0.003 0.000 0.248 744 D C 0.990 177.301 176.300 0.019 0.000 1.170 744 D CA 0.239 54.251 54.000 0.020 0.000 0.977 744 D CB 1.465 42.277 40.800 0.020 0.000 1.120 744 D HN 0.754 nan 8.370 nan 0.000 0.481 745 T N -3.029 111.534 114.554 0.016 0.000 3.043 745 T HA -0.096 4.256 4.350 0.003 0.000 0.263 745 T C 1.726 176.435 174.700 0.016 0.000 1.094 745 T CA 0.999 63.108 62.100 0.015 0.000 1.127 745 T CB -0.244 68.631 68.868 0.012 0.000 0.905 745 T HN 0.268 nan 8.240 nan 0.000 0.490 746 S N 0.996 116.706 115.700 0.017 0.000 2.442 746 S HA 0.258 4.730 4.470 0.003 0.000 0.236 746 S C 2.128 176.742 174.600 0.022 0.000 1.007 746 S CA 0.995 59.206 58.200 0.018 0.000 0.965 746 S CB -0.957 62.254 63.200 0.018 0.000 0.773 746 S HN 1.293 nan 8.310 nan 0.000 0.504 747 G N 0.217 109.031 108.800 0.023 0.000 2.232 747 G HA2 -0.097 3.865 3.960 0.003 0.000 0.226 747 G HA3 -0.097 3.865 3.960 0.003 0.000 0.226 747 G C 0.576 175.495 174.900 0.032 0.000 0.996 747 G CA 0.035 45.151 45.100 0.027 0.000 0.626 747 G HN 1.060 nan 8.290 nan 0.000 0.509 748 G N -0.099 108.720 108.800 0.031 0.000 2.529 748 G HA2 0.575 4.537 3.960 0.003 0.000 0.277 748 G HA3 0.575 4.537 3.960 0.003 0.000 0.277 748 G C 0.397 175.317 174.900 0.034 0.000 1.383 748 G CA 1.152 46.273 45.100 0.034 0.000 1.050 748 G HN 1.483 nan 8.290 nan 0.000 0.526 749 T N -3.640 110.934 114.554 0.035 0.000 2.841 749 T HA 0.588 4.940 4.350 0.003 0.000 0.283 749 T C 0.826 175.541 174.700 0.025 0.000 1.000 749 T CA 0.037 62.157 62.100 0.032 0.000 0.977 749 T CB 1.794 70.685 68.868 0.040 0.000 0.979 749 T HN 0.591 nan 8.240 nan 0.000 0.446 750 T N 0.699 115.265 114.554 0.020 0.000 3.356 750 T HA 0.697 5.049 4.350 0.003 0.000 0.220 750 T C 0.890 175.597 174.700 0.011 0.000 0.963 750 T CA 0.149 62.258 62.100 0.014 0.000 1.540 750 T CB -0.619 68.256 68.868 0.011 0.000 1.320 750 T HN 1.999 nan 8.240 nan 0.000 0.448 751 A N -0.514 122.312 122.820 0.010 0.000 2.360 751 A HA 0.351 4.673 4.320 0.003 0.000 0.478 751 A C -0.063 177.523 177.584 0.004 0.000 0.557 751 A CA -0.514 51.527 52.037 0.007 0.000 0.443 751 A CB -0.738 18.264 19.000 0.002 0.000 2.547 751 A HN 0.434 nan 8.150 nan 0.000 0.425 752 L N 0.530 121.756 121.223 0.005 0.000 2.556 752 L HA 0.392 4.734 4.340 0.003 0.000 0.226 752 L C 1.036 177.902 176.870 -0.006 0.000 1.089 752 L CA 1.159 55.999 54.840 0.001 0.000 0.864 752 L CB -0.034 42.026 42.059 0.002 0.000 1.067 752 L HN 0.879 nan 8.230 nan 0.000 0.477 753 R N -0.699 119.797 120.500 -0.007 0.000 2.753 753 R HA 0.347 4.689 4.340 0.003 0.000 0.272 753 R C -3.119 173.166 176.300 -0.026 0.000 1.034 753 R CA -1.269 54.817 56.100 -0.023 0.000 0.869 753 R CB 0.294 30.580 30.300 -0.023 0.000 1.264 753 R HN -0.332 nan 8.270 nan 0.000 0.481 754 P HA 0.127 nan 4.420 nan 0.000 0.267 754 P C -0.871 176.410 177.300 -0.032 0.000 1.205 754 P CA -0.055 63.013 63.100 -0.054 0.000 0.765 754 P CB 1.314 32.959 31.700 -0.092 0.000 0.828 755 S N 1.369 117.078 115.700 0.014 0.000 2.751 755 S HA 0.568 5.040 4.470 0.003 0.000 0.310 755 S C 1.349 175.991 174.600 0.071 0.000 1.128 755 S CA -0.307 57.940 58.200 0.079 0.000 0.931 755 S CB 1.335 64.563 63.200 0.047 0.000 1.177 755 S HN 0.481 nan 8.310 nan 0.000 0.530 756 A N 1.157 124.031 122.820 0.089 0.000 2.076 756 A HA -0.078 4.244 4.320 0.003 0.000 0.220 756 A C 2.055 179.640 177.584 0.000 0.000 1.160 756 A CA 1.896 53.964 52.037 0.052 0.000 0.653 756 A CB -1.084 17.935 19.000 0.033 0.000 0.801 756 A HN 0.915 nan 8.150 nan 0.000 0.455 757 S N -1.155 114.532 115.700 -0.020 0.000 2.501 757 S HA -0.069 4.403 4.470 0.003 0.000 0.220 757 S C 1.699 176.267 174.600 -0.053 0.000 0.997 757 S CA 1.301 59.468 58.200 -0.055 0.000 0.919 757 S CB -0.696 62.463 63.200 -0.069 0.000 0.778 757 S HN 0.744 nan 8.310 nan 0.000 0.523 758 T N -1.590 112.947 114.554 -0.029 0.000 3.037 758 T HA 0.182 4.534 4.350 0.003 0.000 0.252 758 T C 1.398 176.086 174.700 -0.020 0.000 1.073 758 T CA 0.007 62.091 62.100 -0.027 0.000 1.091 758 T CB -0.100 68.756 68.868 -0.019 0.000 0.935 758 T HN 0.206 nan 8.240 nan 0.000 0.488 759 Q N 1.167 120.961 119.800 -0.010 0.000 2.220 759 Q HA 0.530 4.872 4.340 0.003 0.000 0.205 759 Q C 0.715 176.717 176.000 0.003 0.000 0.865 759 Q CA -0.094 55.708 55.803 -0.002 0.000 0.960 759 Q CB 0.235 28.976 28.738 0.005 0.000 1.097 759 Q HN 0.714 nan 8.270 nan 0.000 0.493 760 A N 0.925 123.736 122.820 -0.013 0.000 2.587 760 A HA -0.005 4.317 4.320 0.003 0.000 0.233 760 A C 1.295 178.884 177.584 0.008 0.000 1.049 760 A CA 0.126 52.151 52.037 -0.020 0.000 0.754 760 A CB 0.180 19.133 19.000 -0.078 0.000 0.977 760 A HN 0.411 nan 8.150 nan 0.000 0.509 761 L N 1.659 122.904 121.223 0.037 0.000 2.046 761 L HA -0.096 4.246 4.340 0.003 0.000 0.208 761 L C 1.608 178.525 176.870 0.079 0.000 1.077 761 L CA 1.688 56.565 54.840 0.061 0.000 0.747 761 L CB -0.562 41.544 42.059 0.079 0.000 0.896 761 L HN 0.944 nan 8.230 nan 0.000 0.432 762 S N -1.829 113.943 115.700 0.119 0.000 2.874 762 S HA 0.786 5.258 4.470 0.003 0.000 0.318 762 S C -0.354 174.295 174.600 0.082 0.000 1.109 762 S CA -0.044 58.258 58.200 0.171 0.000 0.878 762 S CB 2.150 65.533 63.200 0.306 0.000 1.307 762 S HN 0.241 nan 8.310 nan 0.000 0.592 763 S N -0.826 114.952 115.700 0.129 0.000 2.656 763 S HA 0.746 5.218 4.470 0.003 0.000 0.265 763 S C -1.375 173.312 174.600 0.146 0.000 1.110 763 S CA -0.141 57.951 58.200 -0.179 0.000 0.821 763 S CB 0.524 63.653 63.200 -0.118 0.000 1.099 763 S HN 2.357 nan 8.310 nan 0.000 0.471 764 S N -0.532 115.198 115.700 0.050 0.000 2.622 764 S HA 0.728 5.200 4.470 0.003 0.000 0.275 764 S C -1.429 173.252 174.600 0.135 0.000 1.112 764 S CA -0.341 57.997 58.200 0.229 0.000 0.837 764 S CB 0.749 64.237 63.200 0.481 0.000 1.082 764 S HN 1.957 nan 8.310 nan 0.000 0.456 765 V N 0.304 120.299 119.914 0.135 0.000 3.126 765 V HA 0.790 4.912 4.120 0.003 0.000 0.314 765 V C -0.132 176.074 176.094 0.187 0.000 1.138 765 V CA -0.618 61.662 62.300 -0.033 0.000 1.034 765 V CB 2.279 34.096 31.823 -0.010 0.000 1.075 765 V HN 1.109 nan 8.190 nan 0.000 0.442 766 S N 1.381 117.122 115.700 0.068 0.000 2.528 766 S HA 0.257 4.729 4.470 0.003 0.000 0.277 766 S C 0.996 175.699 174.600 0.171 0.000 1.297 766 S CA 0.158 58.511 58.200 0.255 0.000 1.052 766 S CB 1.331 64.689 63.200 0.263 0.000 0.917 766 S HN 0.973 nan 8.310 nan 0.000 0.492 767 S N 2.924 118.721 115.700 0.162 0.000 2.384 767 S HA 0.106 4.578 4.470 0.003 0.000 0.217 767 S C 0.880 175.535 174.600 0.092 0.000 1.041 767 S CA 0.273 58.538 58.200 0.108 0.000 0.948 767 S CB -0.739 62.513 63.200 0.086 0.000 0.872 767 S HN 0.853 nan 8.310 nan 0.000 0.512 768 S N 1.923 117.670 115.700 0.079 0.000 4.212 768 S HA -0.170 4.302 4.470 0.003 0.000 0.491 768 S C 0.352 174.969 174.600 0.028 0.000 1.065 768 S CA 0.457 58.683 58.200 0.043 0.000 0.888 768 S CB -0.018 63.217 63.200 0.058 0.000 1.263 768 S HN 0.528 nan 8.310 nan 0.000 0.406 769 K N 4.628 125.011 120.400 -0.027 0.000 2.438 769 K HA 0.219 4.541 4.320 0.003 0.000 0.205 769 K C 1.565 178.089 176.600 -0.127 0.000 1.033 769 K CA -0.116 56.153 56.287 -0.030 0.000 1.089 769 K CB -0.021 32.472 32.500 -0.012 0.000 0.857 769 K HN 0.677 nan 8.250 nan 0.000 0.522 770 L N 0.255 121.296 121.223 -0.302 0.000 2.197 770 L HA -0.150 4.192 4.340 0.003 0.000 0.215 770 L C 0.718 177.159 176.870 -0.716 0.000 1.095 770 L CA 1.718 56.194 54.840 -0.607 0.000 0.764 770 L CB -0.520 40.954 42.059 -0.976 0.000 0.897 770 L HN 0.033 nan 8.230 nan 0.000 0.436 771 F N -2.760 117.222 119.950 0.054 0.000 2.671 771 F HA 0.402 4.930 4.527 0.003 0.000 0.373 771 F C 1.164 176.992 175.800 0.047 0.000 1.122 771 F CA -0.706 57.326 58.000 0.054 0.000 1.082 771 F CB 1.297 40.343 39.000 0.076 0.000 1.399 771 F HN -0.410 nan 8.300 nan 0.000 0.509 772 S N -1.339 114.510 115.700 0.248 0.000 3.798 772 S HA 0.024 4.496 4.470 0.003 0.000 0.227 772 S C 0.148 174.806 174.600 0.098 0.000 1.126 772 S CA 0.099 58.379 58.200 0.134 0.000 1.030 772 S CB -0.272 62.980 63.200 0.087 0.000 1.189 772 S HN 0.613 nan 8.310 nan 0.000 0.464 784 E N 1.840 122.054 120.200 0.024 0.000 2.558 784 E HA 0.299 4.651 4.350 0.003 0.000 0.255 784 E C -0.348 176.274 176.600 0.036 0.000 0.968 784 E CA 0.600 57.019 56.400 0.032 0.000 0.939 784 E CB 0.879 30.602 29.700 0.037 0.000 0.921 784 E HN 0.373 nan 8.360 nan 0.000 0.477 785 E N 1.525 121.749 120.200 0.040 0.000 2.248 785 E HA 0.534 4.886 4.350 0.003 0.000 0.272 785 E C -1.037 175.604 176.600 0.069 0.000 1.008 785 E CA -0.660 55.767 56.400 0.045 0.000 0.856 785 E CB 2.108 31.828 29.700 0.035 0.000 1.120 785 E HN 0.129 nan 8.360 nan 0.000 0.397 786 V N 1.763 121.723 119.914 0.077 0.000 3.204 786 V HA 0.199 4.321 4.120 0.003 0.000 0.298 786 V C -1.632 174.519 176.094 0.094 0.000 1.328 786 V CA -0.593 61.769 62.300 0.103 0.000 1.035 786 V CB 2.469 34.348 31.823 0.094 0.000 1.095 786 V HN 0.653 nan 8.190 nan 0.000 0.442 787 E N 1.776 122.045 120.200 0.116 0.000 2.191 787 E HA 0.653 5.005 4.350 0.003 0.000 0.274 787 E C -1.495 175.147 176.600 0.069 0.000 0.948 787 E CA -0.570 55.845 56.400 0.025 0.000 0.802 787 E CB 2.328 31.953 29.700 -0.124 0.000 1.137 787 E HN 0.435 nan 8.360 nan 0.000 0.397 788 V N 3.865 123.781 119.914 0.002 0.000 2.448 788 V HA 0.234 4.356 4.120 0.003 0.000 0.295 788 V C -0.347 175.740 176.094 -0.011 0.000 1.025 788 V CA -0.673 61.661 62.300 0.056 0.000 0.859 788 V CB 1.365 33.204 31.823 0.028 0.000 0.988 788 V HN 0.655 nan 8.190 nan 0.000 0.431 789 H N 3.800 122.872 119.070 0.004 0.000 2.533 789 H HA 0.555 5.113 4.556 0.003 0.000 0.343 789 H C -0.794 174.674 175.328 0.233 0.000 1.160 789 H CA -0.721 55.364 56.048 0.061 0.000 1.218 789 H CB 2.230 32.002 29.762 0.017 0.000 1.566 789 H HN 0.544 nan 8.280 nan 0.000 0.522 790 N N 1.454 120.327 118.700 0.289 0.000 2.308 790 N HA 0.091 4.833 4.740 0.003 0.000 0.283 790 N C -1.429 174.206 175.510 0.208 0.000 1.105 790 N CA -0.702 52.428 53.050 0.133 0.000 0.840 790 N CB 3.079 41.541 38.487 -0.041 0.000 1.633 790 N HN 0.277 nan 8.380 nan 0.000 0.476 791 L N 2.623 123.886 121.223 0.067 0.000 2.305 791 L HA 0.547 4.889 4.340 0.003 0.000 0.281 791 L C -1.078 175.693 176.870 -0.165 0.000 1.085 791 L CA -0.061 54.747 54.840 -0.053 0.000 0.813 791 L CB 0.321 42.256 42.059 -0.208 0.000 1.157 791 L HN 0.390 nan 8.230 nan 0.000 0.436 792 L N 5.717 126.839 121.223 -0.169 0.000 2.334 792 L HA 0.538 4.880 4.340 0.003 0.000 0.273 792 L C -0.708 176.040 176.870 -0.205 0.000 1.013 792 L CA -0.854 53.892 54.840 -0.156 0.000 0.816 792 L CB 1.987 43.987 42.059 -0.098 0.000 1.278 792 L HN 0.430 nan 8.230 nan 0.000 0.431 793 I N 3.811 124.272 120.570 -0.182 0.000 2.354 793 I HA 0.381 4.553 4.170 0.003 0.000 0.286 793 I C -0.213 175.817 176.117 -0.144 0.000 1.007 793 I CA -0.275 60.865 61.300 -0.266 0.000 1.167 793 I CB 1.463 39.153 38.000 -0.516 0.000 1.320 793 I HN 0.442 nan 8.210 nan 0.000 0.458 794 I N 5.059 125.593 120.570 -0.060 0.000 2.339 794 I HA 0.162 4.334 4.170 0.003 0.000 0.290 794 I C 0.388 176.480 176.117 -0.041 0.000 0.994 794 I CA -0.472 60.839 61.300 0.017 0.000 1.191 794 I CB 1.545 39.627 38.000 0.138 0.000 1.343 794 I HN 0.498 nan 8.210 nan 0.000 0.458 795 D N 4.332 124.692 120.400 -0.066 0.000 2.455 795 D HA -0.041 4.601 4.640 0.003 0.000 0.241 795 D C 1.171 177.258 176.300 -0.355 0.000 1.138 795 D CA 0.051 53.987 54.000 -0.106 0.000 0.877 795 D CB 0.927 41.724 40.800 -0.006 0.000 1.187 795 D HN 0.626 nan 8.370 nan 0.000 0.451 796 Q N 3.048 122.623 119.800 -0.375 0.000 2.378 796 Q HA -0.154 4.188 4.340 0.003 0.000 0.205 796 Q C 0.548 176.119 176.000 -0.715 0.000 0.954 796 Q CA 1.028 56.422 55.803 -0.682 0.000 0.901 796 Q CB 0.104 28.488 28.738 -0.590 0.000 0.981 796 Q HN 0.662 nan 8.270 nan 0.000 0.483 797 H N 0.543 119.471 119.070 -0.236 0.000 2.406 797 H HA 0.046 4.604 4.556 0.003 0.000 0.304 797 H C 1.933 177.290 175.328 0.047 0.000 1.042 797 H CA 1.836 57.858 56.048 -0.044 0.000 1.360 797 H CB 0.339 30.096 29.762 -0.007 0.000 1.448 797 H HN 0.523 nan 8.280 nan 0.000 0.553 798 T N -1.995 112.635 114.554 0.127 0.000 3.065 798 T HA 0.005 4.357 4.350 0.003 0.000 0.252 798 T C 0.581 175.440 174.700 0.265 0.000 1.099 798 T CA -0.293 61.913 62.100 0.178 0.000 1.063 798 T CB -0.602 68.339 68.868 0.121 0.000 0.948 798 T HN 0.157 nan 8.240 nan 0.000 0.506 799 F N 2.051 122.068 119.950 0.111 0.000 3.019 799 F HA -0.180 4.349 4.527 0.003 0.000 0.259 799 F C 0.325 176.168 175.800 0.070 0.000 0.976 799 F CA 0.394 58.452 58.000 0.095 0.000 0.876 799 F CB -2.095 36.944 39.000 0.065 0.000 0.784 799 F HN 0.402 nan 8.300 nan 0.000 0.786 800 E N -0.422 119.862 120.200 0.140 0.000 2.301 800 E HA 0.363 4.715 4.350 0.003 0.000 0.275 800 E C 0.063 176.709 176.600 0.076 0.000 1.030 800 E CA -0.789 55.675 56.400 0.106 0.000 0.852 800 E CB 1.545 31.297 29.700 0.086 0.000 1.060 800 E HN 0.035 nan 8.360 nan 0.000 0.401 801 V N 5.555 125.509 119.914 0.066 0.000 2.356 801 V HA -0.090 4.032 4.120 0.003 0.000 0.244 801 V C 1.421 177.540 176.094 0.043 0.000 1.120 801 V CA 0.487 62.807 62.300 0.034 0.000 1.181 801 V CB -1.246 30.589 31.823 0.020 0.000 1.244 801 V HN 0.684 nan 8.190 nan 0.000 0.487 802 L N 2.160 123.412 121.223 0.048 0.000 1.976 802 L HA -0.044 4.298 4.340 0.003 0.000 0.209 802 L C 1.191 178.162 176.870 0.170 0.000 1.071 802 L CA 1.601 56.508 54.840 0.112 0.000 0.746 802 L CB -0.342 41.800 42.059 0.138 0.000 0.890 802 L HN 0.673 nan 8.230 nan 0.000 0.432 803 H N -1.345 117.726 119.070 0.000 0.000 2.747 803 H HA 0.692 5.250 4.556 0.003 0.000 0.371 803 H C -1.294 174.016 175.328 -0.031 0.000 1.161 803 H CA -0.744 55.321 56.048 0.027 0.000 1.167 803 H CB 1.768 31.598 29.762 0.113 0.000 1.732 803 H HN 0.069 nan 8.280 nan 0.000 0.544 804 A N 3.002 125.383 122.820 -0.730 0.000 2.357 804 A HA 0.367 4.689 4.320 0.003 0.000 0.295 804 A C -1.623 175.634 177.584 -0.546 0.000 1.121 804 A CA -0.576 51.171 52.037 -0.483 0.000 0.742 804 A CB 0.235 19.070 19.000 -0.273 0.000 1.181 804 A HN 0.835 nan 8.150 nan 0.000 0.454 805 H N 1.880 120.697 119.070 -0.423 0.000 2.597 805 H HA 0.442 5.000 4.556 0.003 0.000 0.303 805 H C 0.100 175.162 175.328 -0.443 0.000 1.057 805 H CA 0.027 55.860 56.048 -0.357 0.000 1.261 805 H CB 0.786 30.349 29.762 -0.332 0.000 1.397 805 H HN 0.736 nan 8.280 nan 0.000 0.461 806 Q N 5.104 124.463 119.800 -0.735 0.000 2.286 806 Q HA 0.209 4.551 4.340 0.003 0.000 0.257 806 Q C -0.789 174.794 176.000 -0.696 0.000 0.941 806 Q CA -0.484 54.995 55.803 -0.541 0.000 0.912 806 Q CB 0.612 29.202 28.738 -0.247 0.000 1.192 806 Q HN 0.536 nan 8.270 nan 0.000 0.410 807 F N 1.898 121.750 119.950 -0.163 0.000 2.234 807 F HA 0.264 4.793 4.527 0.003 0.000 0.292 807 F C 0.630 176.438 175.800 0.013 0.000 1.187 807 F CA -0.733 57.248 58.000 -0.032 0.000 1.128 807 F CB 0.344 39.388 39.000 0.074 0.000 1.507 807 F HN 0.418 nan 8.300 nan 0.000 0.512 808 L N 0.058 121.463 121.223 0.304 0.000 2.476 808 L HA 0.150 4.492 4.340 0.003 0.000 0.255 808 L C 0.234 177.198 176.870 0.157 0.000 1.218 808 L CA -0.619 54.342 54.840 0.202 0.000 0.819 808 L CB 0.060 42.261 42.059 0.236 0.000 1.119 808 L HN 0.494 nan 8.230 nan 0.000 0.485 809 Q N 1.752 121.630 119.800 0.131 0.000 2.239 809 Q HA -0.073 4.269 4.340 0.003 0.000 0.286 809 Q C -0.221 175.823 176.000 0.074 0.000 1.102 809 Q CA 0.295 56.164 55.803 0.109 0.000 0.936 809 Q CB 0.034 28.839 28.738 0.113 0.000 1.127 809 Q HN 0.582 nan 8.270 nan 0.000 0.380 810 N N 2.575 121.306 118.700 0.053 0.000 2.829 810 N HA -0.204 4.538 4.740 0.003 0.000 0.250 810 N C -1.128 174.317 175.510 -0.109 0.000 1.090 810 N CA 1.216 54.228 53.050 -0.063 0.000 0.781 810 N CB -0.750 37.530 38.487 -0.346 0.000 1.124 810 N HN 0.773 nan 8.380 nan 0.000 0.559 811 E N 0.515 120.727 120.200 0.020 0.000 2.055 811 E HA 0.196 4.548 4.350 0.003 0.000 0.274 811 E C -0.713 175.808 176.600 -0.132 0.000 0.949 811 E CA -0.390 55.989 56.400 -0.035 0.000 0.775 811 E CB 0.452 30.196 29.700 0.072 0.000 1.097 811 E HN 0.142 nan 8.360 nan 0.000 0.404 812 Y N 2.038 121.945 120.300 -0.656 0.000 2.319 812 Y HA 0.376 4.928 4.550 0.003 0.000 0.328 812 Y C 0.505 175.967 175.900 -0.730 0.000 1.133 812 Y CA -1.201 56.187 58.100 -1.187 0.000 1.265 812 Y CB 1.406 39.407 38.460 -0.765 0.000 1.218 812 Y HN 0.535 nan 8.280 nan 0.000 0.508 813 A N 4.929 127.459 122.820 -0.484 0.000 2.249 813 A HA 0.503 4.825 4.320 0.003 0.000 0.314 813 A C -0.050 177.474 177.584 -0.100 0.000 1.290 813 A CA -0.552 51.254 52.037 -0.385 0.000 0.893 813 A CB 0.170 18.793 19.000 -0.628 0.000 1.165 813 A HN 1.001 nan 8.150 nan 0.000 0.530 814 L N 1.856 123.022 121.223 -0.095 0.000 2.642 814 L HA 0.188 4.530 4.340 0.003 0.000 0.233 814 L C 0.633 177.519 176.870 0.026 0.000 1.077 814 L CA 0.376 55.212 54.840 -0.008 0.000 0.879 814 L CB 0.150 42.179 42.059 -0.049 0.000 1.151 814 L HN 0.628 nan 8.230 nan 0.000 0.495 815 S N 0.351 116.056 115.700 0.007 0.000 2.568 815 S HA 0.797 5.269 4.470 0.003 0.000 0.293 815 S C -1.004 173.639 174.600 0.071 0.000 1.089 815 S CA -0.654 57.578 58.200 0.053 0.000 0.945 815 S CB 2.891 66.123 63.200 0.054 0.000 1.077 815 S HN 0.030 nan 8.310 nan 0.000 0.485 816 L N 1.893 123.175 121.223 0.099 0.000 2.482 816 L HA 0.825 5.167 4.340 0.003 0.000 0.263 816 L C -1.424 175.541 176.870 0.158 0.000 0.957 816 L CA -0.482 54.435 54.840 0.128 0.000 0.836 816 L CB 2.030 44.152 42.059 0.104 0.000 1.324 816 L HN 0.852 nan 8.230 nan 0.000 0.406 817 V N 0.646 120.676 119.914 0.194 0.000 3.007 817 V HA 0.798 4.920 4.120 0.003 0.000 0.311 817 V C -0.574 175.677 176.094 0.262 0.000 1.120 817 V CA -0.644 61.772 62.300 0.193 0.000 0.980 817 V CB 1.734 33.638 31.823 0.135 0.000 1.033 817 V HN 0.780 nan 8.190 nan 0.000 0.429 818 S N 2.054 117.877 115.700 0.206 0.000 2.594 818 S HA 0.763 5.235 4.470 0.003 0.000 0.322 818 S C -0.466 174.136 174.600 0.004 0.000 1.085 818 S CA -0.127 58.134 58.200 0.102 0.000 1.116 818 S CB -0.119 63.129 63.200 0.081 0.000 0.979 818 S HN 1.783 nan 8.310 nan 0.000 0.465 819 C N 3.360 122.649 119.300 -0.019 0.000 3.239 819 C HA 0.667 5.129 4.460 0.003 0.000 0.317 819 C C -0.962 174.006 174.990 -0.037 0.000 1.310 819 C CA -1.269 57.734 59.018 -0.026 0.000 1.371 819 C CB 0.653 28.400 27.740 0.012 0.000 1.714 819 C HN 0.733 nan 8.230 nan 0.000 0.473 820 K N 1.237 121.613 120.400 -0.041 0.000 2.144 820 K HA 0.731 5.053 4.320 0.003 0.000 0.270 820 K C -0.838 175.768 176.600 0.009 0.000 1.005 820 K CA -0.184 56.093 56.287 -0.017 0.000 0.932 820 K CB 0.906 33.388 32.500 -0.029 0.000 1.021 820 K HN 0.589 nan 8.250 nan 0.000 0.462 821 L N 1.283 122.522 121.223 0.027 0.000 2.370 821 L HA 0.405 4.747 4.340 0.003 0.000 0.266 821 L C 0.672 177.656 176.870 0.191 0.000 1.002 821 L CA -0.389 54.446 54.840 -0.008 0.000 0.818 821 L CB 1.883 43.736 42.059 -0.344 0.000 1.325 821 L HN 0.996 nan 8.230 nan 0.000 0.418 822 G N 2.190 111.116 108.800 0.210 0.000 2.564 822 G HA2 -0.359 3.603 3.960 0.003 0.000 0.273 822 G HA3 -0.359 3.603 3.960 0.003 0.000 0.273 822 G C 0.447 175.457 174.900 0.184 0.000 1.242 822 G CA 0.617 45.866 45.100 0.250 0.000 0.951 822 G HN 0.700 nan 8.290 nan 0.000 0.564 823 K N 0.551 121.050 120.400 0.165 0.000 2.228 823 K HA 0.097 4.419 4.320 0.003 0.000 0.202 823 K C 1.156 177.835 176.600 0.132 0.000 1.051 823 K CA 0.680 57.035 56.287 0.114 0.000 0.960 823 K CB -0.146 32.399 32.500 0.076 0.000 0.743 823 K HN 0.557 nan 8.250 nan 0.000 0.458 824 D N 1.202 121.730 120.400 0.214 0.000 2.662 824 D HA -0.093 4.549 4.640 0.003 0.000 0.237 824 D C -1.724 174.680 176.300 0.173 0.000 1.154 824 D CA -0.622 53.536 54.000 0.264 0.000 0.861 824 D CB 0.996 42.128 40.800 0.553 0.000 1.146 824 D HN 0.089 nan 8.370 nan 0.000 0.518 825 P HA 0.031 nan 4.420 nan 0.000 0.249 825 P C -0.286 176.977 177.300 -0.062 0.000 1.229 825 P CA -0.196 62.913 63.100 0.015 0.000 0.788 825 P CB 0.360 32.063 31.700 0.004 0.000 1.072 826 N N 0.320 118.953 118.700 -0.111 0.000 2.518 826 N HA 0.143 4.885 4.740 0.003 0.000 0.283 826 N C -0.125 175.097 175.510 -0.480 0.000 1.119 826 N CA 0.272 53.099 53.050 -0.372 0.000 0.983 826 N CB 0.274 38.350 38.487 -0.684 0.000 1.139 826 N HN -0.164 nan 8.380 nan 0.000 0.465 827 T N 2.886 117.169 114.554 -0.451 0.000 2.723 827 T HA 0.256 4.608 4.350 0.003 0.000 0.297 827 T C -0.112 174.267 174.700 -0.536 0.000 0.925 827 T CA -0.006 61.855 62.100 -0.398 0.000 1.030 827 T CB -0.342 68.333 68.868 -0.321 0.000 0.905 827 T HN 0.203 nan 8.240 nan 0.000 0.502 828 Y N 1.235 121.420 120.300 -0.191 0.000 2.458 828 Y HA 0.538 5.090 4.550 0.003 0.000 0.322 828 Y C 0.105 175.911 175.900 -0.157 0.000 1.259 828 Y CA -1.491 56.520 58.100 -0.148 0.000 1.302 828 Y CB 0.770 39.153 38.460 -0.129 0.000 1.314 828 Y HN 0.462 nan 8.280 nan 0.000 0.509 829 F N 2.094 122.202 119.950 0.263 0.000 2.308 829 F HA 0.420 4.949 4.527 0.004 0.000 0.370 829 F C -0.509 175.468 175.800 0.294 0.000 1.100 829 F CA -1.154 56.972 58.000 0.212 0.000 1.108 829 F CB 0.131 39.233 39.000 0.170 0.000 1.293 829 F HN 0.165 nan 8.300 nan 0.000 0.478 830 I N 3.789 124.585 120.570 0.377 0.000 2.385 830 I HA 0.417 4.589 4.170 0.003 0.000 0.294 830 I C -0.510 175.768 176.117 0.269 0.000 0.988 830 I CA -0.724 60.733 61.300 0.262 0.000 1.265 830 I CB 1.359 39.396 38.000 0.061 0.000 1.388 830 I HN 0.074 nan 8.210 nan 0.000 0.480 831 V N 4.963 125.059 119.914 0.303 0.000 2.444 831 V HA 0.568 4.690 4.120 0.003 0.000 0.294 831 V C 0.436 176.596 176.094 0.110 0.000 1.022 831 V CA -0.600 61.845 62.300 0.242 0.000 0.850 831 V CB 1.613 33.696 31.823 0.433 0.000 0.992 831 V HN 0.896 nan 8.190 nan 0.000 0.426 832 G N 2.777 111.592 108.800 0.026 0.000 2.356 832 G HA2 0.631 4.593 3.960 0.003 0.000 0.298 832 G HA3 0.631 4.593 3.960 0.003 0.000 0.298 832 G C 0.048 174.882 174.900 -0.111 0.000 1.145 832 G CA 0.258 45.337 45.100 -0.034 0.000 0.850 832 G HN 0.814 nan 8.290 nan 0.000 0.487 833 T N -1.415 113.060 114.554 -0.132 0.000 2.676 833 T HA 0.878 5.230 4.350 0.003 0.000 0.269 833 T C -0.298 174.289 174.700 -0.188 0.000 0.952 833 T CA -0.356 61.617 62.100 -0.213 0.000 1.040 833 T CB 1.893 70.609 68.868 -0.253 0.000 1.352 833 T HN 2.010 nan 8.240 nan 0.000 0.554 834 A N 0.633 123.328 122.820 -0.207 0.000 2.580 834 A HA 0.542 4.864 4.320 0.003 0.000 0.301 834 A C -1.127 176.279 177.584 -0.297 0.000 1.054 834 A CA -0.912 50.986 52.037 -0.231 0.000 0.751 834 A CB 1.008 19.837 19.000 -0.286 0.000 1.275 834 A HN 0.723 nan 8.150 nan 0.000 0.403 835 M N 2.742 122.151 119.600 -0.319 0.000 2.094 835 M HA 0.348 4.830 4.480 0.003 0.000 0.348 835 M C -0.450 175.535 176.300 -0.524 0.000 1.267 835 M CA -0.368 54.677 55.300 -0.426 0.000 1.125 835 M CB 0.300 32.669 32.600 -0.386 0.000 1.527 835 M HN 0.378 nan 8.290 nan 0.000 0.447 836 V N 5.624 125.068 119.914 -0.783 0.000 2.370 836 V HA 0.383 4.505 4.120 0.003 0.000 0.279 836 V C -0.948 174.656 176.094 -0.816 0.000 1.029 836 V CA -0.485 61.368 62.300 -0.745 0.000 0.870 836 V CB 0.731 31.850 31.823 -1.173 0.000 0.984 836 V HN 0.626 nan 8.190 nan 0.000 0.451 837 Y N 5.398 125.590 120.300 -0.180 0.000 2.361 837 Y HA 0.390 4.942 4.550 0.003 0.000 0.337 837 Y C -1.747 174.110 175.900 -0.072 0.000 0.965 837 Y CA -2.257 55.782 58.100 -0.102 0.000 1.091 837 Y CB 1.882 40.294 38.460 -0.079 0.000 1.182 837 Y HN 0.427 nan 8.280 nan 0.000 0.450 838 P HA -0.241 nan 4.420 nan 0.000 0.216 838 P C 1.320 178.653 177.300 0.054 0.000 1.150 838 P CA 1.873 65.002 63.100 0.049 0.000 0.843 838 P CB 0.393 32.129 31.700 0.059 0.000 0.787 839 E N 0.725 120.965 120.200 0.067 0.000 2.051 839 E HA -0.155 4.197 4.350 0.003 0.000 0.192 839 E C 0.455 177.080 176.600 0.041 0.000 0.991 839 E CA 0.998 57.425 56.400 0.047 0.000 0.799 839 E CB -1.146 28.575 29.700 0.036 0.000 0.748 839 E HN 0.360 nan 8.360 nan 0.000 0.449 840 E N 0.514 120.746 120.200 0.053 0.000 2.436 840 E HA 0.163 4.515 4.350 0.003 0.000 0.262 840 E C 0.762 177.382 176.600 0.033 0.000 1.063 840 E CA 0.227 56.652 56.400 0.042 0.000 0.944 840 E CB 0.696 30.432 29.700 0.060 0.000 0.950 840 E HN 0.345 nan 8.360 nan 0.000 0.444 841 A N 2.759 125.597 122.820 0.030 0.000 2.021 841 A HA -0.063 4.259 4.320 0.003 0.000 0.216 841 A C 0.758 178.363 177.584 0.035 0.000 1.163 841 A CA 0.899 52.956 52.037 0.034 0.000 0.676 841 A CB 0.168 19.189 19.000 0.034 0.000 0.818 841 A HN 0.685 nan 8.150 nan 0.000 0.453 842 E N -0.276 119.942 120.200 0.030 0.000 2.451 842 E HA 0.278 4.630 4.350 0.003 0.000 0.295 842 E C -3.183 173.427 176.600 0.017 0.000 0.966 842 E CA -1.651 54.770 56.400 0.035 0.000 0.808 842 E CB 1.843 31.572 29.700 0.048 0.000 1.242 842 E HN 0.050 nan 8.360 nan 0.000 0.412 843 P HA 0.088 nan 4.420 nan 0.000 0.275 843 P C -0.266 177.025 177.300 -0.015 0.000 1.227 843 P CA -0.198 62.879 63.100 -0.038 0.000 0.781 843 P CB 0.948 32.572 31.700 -0.128 0.000 0.906 844 K N 1.795 122.190 120.400 -0.008 0.000 2.354 844 K HA 0.125 4.447 4.320 0.003 0.000 0.194 844 K C 0.213 176.818 176.600 0.008 0.000 1.045 844 K CA 0.556 56.848 56.287 0.009 0.000 1.026 844 K CB 0.490 32.999 32.500 0.015 0.000 0.866 844 K HN 0.492 nan 8.250 nan 0.000 0.530 845 Q N 0.206 119.978 119.800 -0.046 0.000 2.365 845 Q HA 0.683 5.025 4.340 0.003 0.000 0.269 845 Q C -0.601 175.335 176.000 -0.108 0.000 1.061 845 Q CA -0.886 54.873 55.803 -0.073 0.000 0.816 845 Q CB 2.473 31.010 28.738 -0.336 0.000 1.325 845 Q HN 0.322 nan 8.270 nan 0.000 0.446 846 G N 1.016 109.845 108.800 0.049 0.000 2.550 846 G HA2 0.667 4.629 3.960 0.003 0.000 0.293 846 G HA3 0.667 4.629 3.960 0.003 0.000 0.293 846 G C -1.733 173.280 174.900 0.188 0.000 1.402 846 G CA -0.888 44.240 45.100 0.046 0.000 0.784 846 G HN 0.582 nan 8.290 nan 0.000 0.482 847 R N -1.140 119.430 120.500 0.117 0.000 2.764 847 R HA 0.734 5.076 4.340 0.003 0.000 0.270 847 R C -1.296 175.016 176.300 0.020 0.000 1.014 847 R CA -1.032 55.127 56.100 0.098 0.000 0.904 847 R CB 1.746 32.132 30.300 0.144 0.000 1.236 847 R HN 0.409 nan 8.270 nan 0.000 0.466 848 I N 1.615 122.167 120.570 -0.030 0.000 2.377 848 I HA 0.432 4.604 4.170 0.003 0.000 0.293 848 I C -0.578 175.498 176.117 -0.068 0.000 0.987 848 I CA -1.277 59.978 61.300 -0.074 0.000 1.185 848 I CB 2.085 39.965 38.000 -0.199 0.000 1.341 848 I HN 0.268 nan 8.210 nan 0.000 0.455 849 V N 6.575 126.471 119.914 -0.030 0.000 2.588 849 V HA 0.428 4.550 4.120 0.003 0.000 0.304 849 V C -0.274 175.691 176.094 -0.215 0.000 1.042 849 V CA -0.738 61.475 62.300 -0.145 0.000 0.877 849 V CB 2.204 33.963 31.823 -0.106 0.000 0.996 849 V HN 0.392 nan 8.190 nan 0.000 0.425 850 V N 5.044 124.744 119.914 -0.356 0.000 2.384 850 V HA 0.601 4.723 4.120 0.003 0.000 0.287 850 V C -0.788 175.162 176.094 -0.239 0.000 1.020 850 V CA -0.332 61.812 62.300 -0.260 0.000 0.850 850 V CB 1.294 32.867 31.823 -0.417 0.000 0.987 850 V HN 0.691 nan 8.190 nan 0.000 0.436 851 F N 2.438 122.486 119.950 0.163 0.000 2.561 851 F HA 0.628 5.157 4.527 0.003 0.000 0.321 851 F C 0.129 176.144 175.800 0.358 0.000 1.065 851 F CA -0.600 57.538 58.000 0.230 0.000 0.934 851 F CB 2.027 41.171 39.000 0.239 0.000 1.215 851 F HN 0.343 nan 8.300 nan 0.000 0.471 852 Q N 1.529 121.624 119.800 0.491 0.000 2.353 852 Q HA 0.334 4.676 4.340 0.003 0.000 0.268 852 Q C -1.994 174.167 176.000 0.268 0.000 1.045 852 Q CA -0.959 55.019 55.803 0.292 0.000 0.811 852 Q CB 2.166 30.998 28.738 0.156 0.000 1.305 852 Q HN 0.711 nan 8.270 nan 0.000 0.447 853 Y N 2.491 122.834 120.300 0.071 0.000 2.342 853 Y HA 0.328 4.880 4.550 0.003 0.000 0.338 853 Y C -0.322 175.559 175.900 -0.032 0.000 0.965 853 Y CA 0.025 58.154 58.100 0.048 0.000 1.159 853 Y CB 1.064 39.615 38.460 0.152 0.000 1.157 853 Y HN 0.696 nan 8.280 nan 0.000 0.486 854 S N 3.076 118.517 115.700 -0.432 0.000 3.145 854 S HA 0.032 4.504 4.470 0.003 0.000 0.174 854 S C 0.647 175.035 174.600 -0.353 0.000 0.981 854 S CA 0.204 58.220 58.200 -0.306 0.000 1.620 854 S CB -0.063 63.007 63.200 -0.217 0.000 0.569 854 S HN 0.744 nan 8.310 nan 0.000 0.523 855 D N 0.875 121.105 120.400 -0.283 0.000 2.123 855 D HA 0.181 4.823 4.640 0.003 0.000 0.200 855 D C 1.118 177.244 176.300 -0.292 0.000 0.976 855 D CA 1.365 55.234 54.000 -0.218 0.000 0.831 855 D CB -0.080 40.635 40.800 -0.142 0.000 0.974 855 D HN 0.573 nan 8.370 nan 0.000 0.469 856 G N -0.896 107.649 108.800 -0.425 0.000 5.371 856 G HA2 0.060 4.022 3.960 0.003 0.000 0.208 856 G HA3 0.060 4.022 3.960 0.003 0.000 0.208 856 G C -0.304 174.296 174.900 -0.499 0.000 0.815 856 G CA -0.553 44.278 45.100 -0.449 0.000 0.735 856 G HN -0.013 nan 8.290 nan 0.000 0.284 857 K N 0.401 120.417 120.400 -0.639 0.000 2.221 857 K HA 0.685 5.007 4.320 0.003 0.000 0.243 857 K C -1.279 175.152 176.600 -0.282 0.000 0.968 857 K CA -0.991 55.076 56.287 -0.366 0.000 0.846 857 K CB 2.732 35.099 32.500 -0.220 0.000 1.141 857 K HN 0.006 nan 8.250 nan 0.000 0.434 858 L N 2.521 123.641 121.223 -0.171 0.000 2.454 858 L HA 0.212 4.554 4.340 0.003 0.000 0.258 858 L C -0.911 176.002 176.870 0.073 0.000 1.025 858 L CA -0.249 54.605 54.840 0.023 0.000 0.901 858 L CB 1.449 43.469 42.059 -0.064 0.000 1.210 858 L HN 0.773 nan 8.230 nan 0.000 0.457 859 Q N 1.938 121.819 119.800 0.135 0.000 2.274 859 Q HA 0.249 4.591 4.340 0.003 0.000 0.256 859 Q C -0.421 175.685 176.000 0.177 0.000 0.927 859 Q CA -0.412 55.465 55.803 0.123 0.000 0.939 859 Q CB 1.268 30.059 28.738 0.088 0.000 1.201 859 Q HN 0.536 nan 8.270 nan 0.000 0.426 860 T N 4.281 118.874 114.554 0.065 0.000 2.933 860 T HA 0.042 4.394 4.350 0.003 0.000 0.263 860 T C 1.093 175.738 174.700 -0.092 0.000 0.925 860 T CA -0.206 61.807 62.100 -0.145 0.000 1.156 860 T CB 0.076 68.855 68.868 -0.147 0.000 0.916 860 T HN 0.461 nan 8.240 nan 0.000 0.601 861 V N 1.561 121.431 119.914 -0.073 0.000 3.041 861 V HA 0.329 4.451 4.120 0.003 0.000 0.260 861 V C 1.099 177.188 176.094 -0.008 0.000 1.105 861 V CA 0.914 63.226 62.300 0.019 0.000 1.125 861 V CB -1.016 30.871 31.823 0.106 0.000 0.730 861 V HN 1.023 nan 8.190 nan 0.000 0.479 862 A N 0.238 123.006 122.820 -0.087 0.000 2.592 862 A HA 0.595 4.917 4.320 0.003 0.000 0.300 862 A C -0.839 176.679 177.584 -0.111 0.000 0.994 862 A CA -0.649 51.364 52.037 -0.041 0.000 0.707 862 A CB 0.833 19.907 19.000 0.124 0.000 1.273 862 A HN 0.363 nan 8.150 nan 0.000 0.413 863 E N 0.291 120.446 120.200 -0.076 0.000 2.378 863 E HA 0.872 5.224 4.350 0.003 0.000 0.265 863 E C -0.867 175.699 176.600 -0.056 0.000 0.932 863 E CA -1.143 55.209 56.400 -0.079 0.000 0.795 863 E CB 2.033 31.693 29.700 -0.066 0.000 1.296 863 E HN 0.401 nan 8.360 nan 0.000 0.438 864 K N 1.088 121.454 120.400 -0.057 0.000 2.729 864 K HA 0.163 4.485 4.320 0.003 0.000 0.269 864 K C -1.606 174.988 176.600 -0.009 0.000 1.065 864 K CA -0.205 56.054 56.287 -0.047 0.000 1.000 864 K CB 1.440 33.866 32.500 -0.123 0.000 1.283 864 K HN 0.620 nan 8.250 nan 0.000 0.491 865 E N 2.358 122.560 120.200 0.003 0.000 2.502 865 E HA 0.147 4.499 4.350 0.003 0.000 0.261 865 E C -0.304 176.363 176.600 0.111 0.000 0.974 865 E CA 0.054 56.483 56.400 0.049 0.000 0.936 865 E CB 0.490 30.197 29.700 0.012 0.000 0.926 865 E HN 0.373 nan 8.360 nan 0.000 0.459 866 V N 1.011 121.017 119.914 0.154 0.000 3.074 866 V HA 0.490 4.612 4.120 0.003 0.000 0.314 866 V C -0.430 175.756 176.094 0.153 0.000 1.117 866 V CA -0.965 61.427 62.300 0.153 0.000 1.014 866 V CB 2.062 33.966 31.823 0.135 0.000 1.057 866 V HN 0.683 nan 8.190 nan 0.000 0.438 867 K N 1.533 122.010 120.400 0.127 0.000 2.965 867 K HA 0.691 5.013 4.320 0.003 0.000 0.216 867 K C 0.183 176.828 176.600 0.076 0.000 1.164 867 K CA 0.398 56.748 56.287 0.105 0.000 1.153 867 K CB 0.553 33.113 32.500 0.101 0.000 1.045 867 K HN 1.154 nan 8.250 nan 0.000 0.460 868 G N -0.180 108.652 108.800 0.052 0.000 2.490 868 G HA2 0.524 4.486 3.960 0.003 0.000 0.308 868 G HA3 0.524 4.486 3.960 0.003 0.000 0.308 868 G C -1.785 173.079 174.900 -0.061 0.000 1.286 868 G CA -0.731 44.378 45.100 0.016 0.000 0.825 868 G HN 0.100 nan 8.290 nan 0.000 0.479 869 A N -0.066 122.667 122.820 -0.145 0.000 2.256 869 A HA 0.640 4.962 4.320 0.003 0.000 0.317 869 A C -0.131 177.140 177.584 -0.522 0.000 1.318 869 A CA -0.441 51.368 52.037 -0.380 0.000 0.894 869 A CB 1.023 19.686 19.000 -0.561 0.000 1.165 869 A HN 1.287 nan 8.150 nan 0.000 0.525 870 V N 4.646 124.353 119.914 -0.344 0.000 2.403 870 V HA -0.023 4.099 4.120 0.003 0.000 0.265 870 V C 0.618 176.534 176.094 -0.296 0.000 1.034 870 V CA 0.697 62.862 62.300 -0.225 0.000 1.036 870 V CB -1.178 30.589 31.823 -0.094 0.000 1.032 870 V HN 0.972 nan 8.190 nan 0.000 0.478 871 Y N 2.779 123.064 120.300 -0.026 0.000 2.231 871 Y HA 0.019 4.571 4.550 0.003 0.000 0.294 871 Y C 1.640 177.527 175.900 -0.022 0.000 1.120 871 Y CA 1.067 59.138 58.100 -0.047 0.000 1.141 871 Y CB 0.402 38.791 38.460 -0.119 0.000 1.022 871 Y HN 0.713 nan 8.280 nan 0.000 0.523 872 S N 0.176 115.950 115.700 0.124 0.000 2.685 872 S HA 0.729 5.201 4.470 0.003 0.000 0.282 872 S C -0.920 173.729 174.600 0.082 0.000 1.159 872 S CA -0.918 57.346 58.200 0.107 0.000 0.833 872 S CB 2.063 65.339 63.200 0.126 0.000 1.151 872 S HN 0.187 nan 8.310 nan 0.000 0.485 873 M N 1.013 120.667 119.600 0.090 0.000 2.355 873 M HA 0.564 5.046 4.480 0.003 0.000 0.232 873 M C -1.622 174.735 176.300 0.096 0.000 0.988 873 M CA -0.777 54.574 55.300 0.084 0.000 0.931 873 M CB 0.936 33.583 32.600 0.078 0.000 2.294 873 M HN 0.600 nan 8.290 nan 0.000 0.459 874 V N 1.488 121.458 119.914 0.093 0.000 3.109 874 V HA 0.554 4.676 4.120 0.003 0.000 0.317 874 V C -0.294 175.878 176.094 0.131 0.000 1.074 874 V CA -0.136 62.233 62.300 0.114 0.000 1.033 874 V CB 1.893 33.788 31.823 0.120 0.000 1.111 874 V HN 0.969 nan 8.190 nan 0.000 0.458 875 E N 2.935 123.217 120.200 0.137 0.000 2.130 875 E HA 0.114 4.466 4.350 0.003 0.000 0.284 875 E C -0.497 176.236 176.600 0.221 0.000 1.018 875 E CA -0.288 56.198 56.400 0.144 0.000 0.817 875 E CB 1.035 30.789 29.700 0.090 0.000 1.078 875 E HN 0.650 nan 8.360 nan 0.000 0.396 876 F N 4.825 124.803 119.950 0.046 0.000 2.061 876 F HA 0.125 4.655 4.527 0.004 0.000 0.283 876 F C 0.901 176.730 175.800 0.048 0.000 1.218 876 F CA 0.801 58.832 58.000 0.052 0.000 1.123 876 F CB 0.184 39.218 39.000 0.056 0.000 1.004 876 F HN 0.448 nan 8.300 nan 0.000 0.493 877 N N -0.149 118.499 118.700 -0.088 0.000 2.723 877 N HA 0.269 5.011 4.740 0.003 0.000 0.290 877 N C 0.306 175.805 175.510 -0.018 0.000 1.882 877 N CA 0.707 53.664 53.050 -0.154 0.000 0.851 877 N CB 1.011 39.346 38.487 -0.253 0.000 1.234 877 N HN 0.677 nan 8.380 nan 0.000 0.491 878 G N 0.975 109.790 108.800 0.025 0.000 2.176 878 G HA2 -0.280 3.682 3.960 0.003 0.000 0.253 878 G HA3 -0.280 3.682 3.960 0.003 0.000 0.253 878 G C 0.003 174.954 174.900 0.085 0.000 0.979 878 G CA 0.227 45.359 45.100 0.053 0.000 0.641 878 G HN 0.398 nan 8.290 nan 0.000 0.530 879 K N -0.573 119.890 120.400 0.105 0.000 2.221 879 K HA 0.755 5.077 4.320 0.003 0.000 0.243 879 K C -0.929 175.769 176.600 0.162 0.000 0.968 879 K CA -1.212 55.160 56.287 0.141 0.000 0.846 879 K CB 2.396 34.977 32.500 0.135 0.000 1.141 879 K HN 0.141 nan 8.250 nan 0.000 0.434 880 L N 2.704 124.024 121.223 0.162 0.000 2.259 880 L HA 0.296 4.638 4.340 0.003 0.000 0.288 880 L C -1.144 175.859 176.870 0.222 0.000 1.051 880 L CA -0.266 54.668 54.840 0.156 0.000 0.824 880 L CB 0.291 42.398 42.059 0.080 0.000 1.206 880 L HN 0.469 nan 8.230 nan 0.000 0.429 881 L N 5.858 127.185 121.223 0.172 0.000 2.265 881 L HA 0.619 4.961 4.340 0.003 0.000 0.288 881 L C 0.593 177.536 176.870 0.122 0.000 1.058 881 L CA -0.088 54.822 54.840 0.117 0.000 0.809 881 L CB 1.100 43.148 42.059 -0.019 0.000 1.179 881 L HN 0.858 nan 8.230 nan 0.000 0.429 882 A N 2.894 125.811 122.820 0.162 0.000 3.411 882 A HA 0.845 5.167 4.320 0.003 0.000 0.197 882 A C 0.057 177.691 177.584 0.084 0.000 1.630 882 A CA 0.328 52.453 52.037 0.147 0.000 1.807 882 A CB 1.055 20.203 19.000 0.247 0.000 1.519 882 A HN 0.696 nan 8.150 nan 0.000 0.502 883 S N -1.206 114.553 115.700 0.098 0.000 2.852 883 S HA 0.297 4.769 4.470 0.003 0.000 0.302 883 S C -1.854 172.796 174.600 0.084 0.000 0.615 883 S CA -0.570 57.665 58.200 0.059 0.000 0.649 883 S CB -1.309 61.911 63.200 0.033 0.000 0.887 883 S HN 1.015 nan 8.310 nan 0.000 0.603 884 I N 4.387 125.012 120.570 0.093 0.000 2.448 884 I HA 0.585 4.757 4.170 0.003 0.000 0.281 884 I C 0.928 177.125 176.117 0.134 0.000 1.027 884 I CA -0.316 61.038 61.300 0.091 0.000 1.111 884 I CB 1.371 39.429 38.000 0.097 0.000 1.236 884 I HN 0.786 nan 8.210 nan 0.000 0.452 885 N N 2.937 121.771 118.700 0.222 0.000 2.886 885 N HA -0.333 4.409 4.740 0.003 0.000 0.229 885 N C 0.962 176.570 175.510 0.164 0.000 0.847 885 N CA 2.205 55.419 53.050 0.274 0.000 1.132 885 N CB -0.458 38.119 38.487 0.150 0.000 1.018 885 N HN 0.885 nan 8.380 nan 0.000 0.624 886 S N -4.415 111.358 115.700 0.122 0.000 4.610 886 S HA -0.017 4.455 4.470 0.003 0.000 0.048 886 S C -0.571 174.093 174.600 0.106 0.000 0.857 886 S CA 0.541 58.787 58.200 0.076 0.000 0.975 886 S CB -0.773 62.472 63.200 0.076 0.000 0.441 886 S HN 0.220 nan 8.310 nan 0.000 0.797 887 T N 1.905 116.524 114.554 0.108 0.000 2.885 887 T HA 0.732 5.084 4.350 0.003 0.000 0.285 887 T C -0.895 173.811 174.700 0.009 0.000 1.019 887 T CA -0.474 61.670 62.100 0.073 0.000 1.010 887 T CB 1.875 70.808 68.868 0.108 0.000 1.022 887 T HN 0.230 nan 8.240 nan 0.000 0.466 888 V N 3.101 122.984 119.914 -0.051 0.000 2.487 888 V HA 0.590 4.712 4.120 0.003 0.000 0.298 888 V C 0.020 176.113 176.094 -0.001 0.000 1.028 888 V CA -0.760 61.500 62.300 -0.067 0.000 0.860 888 V CB 1.780 33.480 31.823 -0.205 0.000 0.991 888 V HN 0.693 nan 8.190 nan 0.000 0.427 889 R N 2.769 123.292 120.500 0.038 0.000 2.912 889 R HA 0.741 5.083 4.340 0.003 0.000 0.262 889 R C -1.858 174.481 176.300 0.066 0.000 1.057 889 R CA -1.057 55.054 56.100 0.018 0.000 0.981 889 R CB 2.236 32.414 30.300 -0.203 0.000 1.201 889 R HN 0.449 nan 8.270 nan 0.000 0.484 890 L N 1.979 123.154 121.223 -0.079 0.000 2.406 890 L HA 0.411 4.753 4.340 0.003 0.000 0.270 890 L C -1.747 175.048 176.870 -0.126 0.000 0.982 890 L CA -0.446 54.381 54.840 -0.023 0.000 0.843 890 L CB 1.037 43.053 42.059 -0.073 0.000 1.225 890 L HN 0.472 nan 8.230 nan 0.000 0.412 891 Y N 2.654 122.987 120.300 0.055 0.000 2.323 891 Y HA 0.494 5.046 4.550 0.003 0.000 0.331 891 Y C 0.431 176.383 175.900 0.086 0.000 1.092 891 Y CA -0.182 57.959 58.100 0.068 0.000 1.150 891 Y CB 1.457 39.964 38.460 0.078 0.000 1.200 891 Y HN 0.522 nan 8.280 nan 0.000 0.472 892 E N 2.521 122.875 120.200 0.255 0.000 2.204 892 E HA 0.080 4.432 4.350 0.003 0.000 0.276 892 E C -1.302 175.496 176.600 0.331 0.000 0.974 892 E CA -0.738 55.801 56.400 0.230 0.000 0.815 892 E CB 1.182 30.961 29.700 0.133 0.000 1.119 892 E HN 0.657 nan 8.360 nan 0.000 0.393 893 W N 5.533 126.864 121.300 0.053 0.000 2.367 893 W HA 0.072 4.734 4.660 0.003 0.000 0.329 893 W C 0.065 176.594 176.519 0.016 0.000 1.066 893 W CA -0.850 56.508 57.345 0.021 0.000 1.435 893 W CB 0.668 30.136 29.460 0.014 0.000 1.296 893 W HN 0.562 nan 8.180 nan 0.000 0.401 894 T N 0.918 115.373 114.554 -0.165 0.000 2.939 894 T HA -0.127 4.225 4.350 0.003 0.000 0.319 894 T C 1.613 176.076 174.700 -0.394 0.000 1.082 894 T CA 0.713 62.669 62.100 -0.240 0.000 1.133 894 T CB 1.313 70.039 68.868 -0.236 0.000 1.019 894 T HN 0.554 nan 8.240 nan 0.000 0.548 895 T N -0.144 114.281 114.554 -0.216 0.000 2.833 895 T HA -0.127 4.225 4.350 0.003 0.000 0.269 895 T C 1.296 175.855 174.700 -0.236 0.000 1.054 895 T CA 1.281 63.270 62.100 -0.185 0.000 1.135 895 T CB -0.646 68.168 68.868 -0.091 0.000 0.869 895 T HN 0.829 nan 8.240 nan 0.000 0.466 896 E N 1.656 121.712 120.200 -0.240 0.000 2.533 896 E HA 0.073 4.425 4.350 0.003 0.000 0.203 896 E C 0.249 176.629 176.600 -0.368 0.000 1.101 896 E CA 0.037 56.295 56.400 -0.235 0.000 0.894 896 E CB -0.550 29.041 29.700 -0.181 0.000 0.843 896 E HN 0.505 nan 8.360 nan 0.000 0.552 897 K N 0.983 121.005 120.400 -0.631 0.000 3.393 897 K HA -0.161 4.161 4.320 0.003 0.000 0.272 897 K C -1.036 174.780 176.600 -1.307 0.000 1.004 897 K CA 0.454 56.070 56.287 -1.118 0.000 0.764 897 K CB -0.980 31.224 32.500 -0.493 0.000 1.373 897 K HN 0.169 nan 8.250 nan 0.000 0.458 898 D N -0.131 119.516 120.400 -1.255 0.000 2.756 898 D HA 0.286 4.928 4.640 0.003 0.000 0.226 898 D C -0.838 175.413 176.300 -0.082 0.000 1.186 898 D CA -0.555 53.111 54.000 -0.556 0.000 0.845 898 D CB 2.013 42.664 40.800 -0.249 0.000 1.610 898 D HN -0.010 nan 8.370 nan 0.000 0.465 899 V N 1.106 121.199 119.914 0.297 0.000 2.372 899 V HA 0.676 4.798 4.120 0.003 0.000 0.261 899 V C -0.195 176.087 176.094 0.313 0.000 1.055 899 V CA -0.537 61.977 62.300 0.358 0.000 0.930 899 V CB 0.147 32.044 31.823 0.122 0.000 1.031 899 V HN 0.487 nan 8.190 nan 0.000 0.479 900 R N 2.477 123.163 120.500 0.310 0.000 2.562 900 R HA 0.684 5.026 4.340 0.003 0.000 0.298 900 R C -0.102 176.306 176.300 0.180 0.000 0.961 900 R CA -0.362 55.881 56.100 0.239 0.000 0.881 900 R CB 0.761 31.123 30.300 0.102 0.000 1.159 900 R HN 0.568 nan 8.270 nan 0.000 0.450 901 T N 1.967 116.545 114.554 0.040 0.000 2.939 901 T HA -0.026 4.326 4.350 0.003 0.000 0.319 901 T C 0.567 175.199 174.700 -0.112 0.000 1.082 901 T CA 0.276 62.256 62.100 -0.201 0.000 1.133 901 T CB 0.703 69.459 68.868 -0.186 0.000 1.019 901 T HN 0.842 nan 8.240 nan 0.000 0.548 902 E N 0.090 120.195 120.200 -0.158 0.000 2.354 902 E HA 0.179 4.531 4.350 0.003 0.000 0.203 902 E C 0.278 176.785 176.600 -0.155 0.000 0.841 902 E CA 0.190 56.526 56.400 -0.107 0.000 1.046 902 E CB 0.537 30.195 29.700 -0.069 0.000 1.040 902 E HN 0.901 nan 8.360 nan 0.000 0.504 903 C N -0.079 119.075 119.300 -0.242 0.000 3.292 903 C HA 0.822 5.284 4.460 0.003 0.000 0.338 903 C C -1.784 173.051 174.990 -0.259 0.000 1.323 903 C CA -1.025 57.819 59.018 -0.290 0.000 1.232 903 C CB 0.421 27.883 27.740 -0.464 0.000 1.517 903 C HN 0.480 nan 8.230 nan 0.000 0.470 904 N N -1.114 117.490 118.700 -0.160 0.000 2.308 904 N HA 0.556 5.298 4.740 0.003 0.000 0.283 904 N C -1.352 174.150 175.510 -0.014 0.000 1.105 904 N CA -0.548 52.475 53.050 -0.045 0.000 0.840 904 N CB 0.892 39.171 38.487 -0.346 0.000 1.633 904 N HN 1.063 nan 8.380 nan 0.000 0.476 905 H N 0.082 119.169 119.070 0.029 0.000 2.502 905 H HA 0.299 4.856 4.556 0.003 0.000 0.327 905 H C -0.673 174.498 175.328 -0.261 0.000 1.099 905 H CA -0.174 55.820 56.048 -0.091 0.000 1.323 905 H CB 0.724 30.359 29.762 -0.212 0.000 1.450 905 H HN 0.743 nan 8.280 nan 0.000 0.502 906 Y N 1.944 122.057 120.300 -0.312 0.000 2.453 906 Y HA 0.083 4.636 4.550 0.004 0.000 0.247 906 Y C 1.151 176.973 175.900 -0.131 0.000 1.124 906 Y CA -0.313 57.712 58.100 -0.125 0.000 1.243 906 Y CB 0.676 39.078 38.460 -0.096 0.000 1.213 906 Y HN 0.661 nan 8.280 nan 0.000 0.523 907 N N 2.153 120.715 118.700 -0.230 0.000 3.245 907 N HA 0.033 4.775 4.740 0.003 0.000 0.296 907 N C -1.286 174.336 175.510 0.186 0.000 1.254 907 N CA 0.104 53.148 53.050 -0.010 0.000 1.190 907 N CB -0.270 38.154 38.487 -0.106 0.000 1.460 907 N HN 0.265 nan 8.380 nan 0.000 0.538 908 N N 1.928 120.699 118.700 0.117 0.000 2.235 908 N HA 0.158 4.900 4.740 0.003 0.000 0.293 908 N C 0.658 176.162 175.510 -0.010 0.000 1.083 908 N CA -0.517 52.557 53.050 0.040 0.000 0.801 908 N CB 2.091 40.593 38.487 0.024 0.000 1.559 908 N HN 0.158 nan 8.380 nan 0.000 0.472 909 I N 0.858 121.385 120.570 -0.071 0.000 2.333 909 I HA 0.146 4.318 4.170 0.003 0.000 0.246 909 I C 0.377 176.431 176.117 -0.106 0.000 1.106 909 I CA 1.309 62.550 61.300 -0.098 0.000 1.411 909 I CB 0.322 38.223 38.000 -0.165 0.000 1.082 909 I HN 0.555 nan 8.210 nan 0.000 0.420 910 M N -0.053 119.462 119.600 -0.141 0.000 2.480 910 M HA 0.317 4.799 4.480 0.003 0.000 0.186 910 M C -1.236 174.927 176.300 -0.228 0.000 0.948 910 M CA -0.289 54.907 55.300 -0.173 0.000 0.857 910 M CB 1.115 33.568 32.600 -0.245 0.000 2.723 910 M HN -0.006 nan 8.290 nan 0.000 0.410 911 A N 4.880 127.605 122.820 -0.159 0.000 2.475 911 A HA 0.374 4.696 4.320 0.003 0.000 0.293 911 A C 0.480 177.903 177.584 -0.269 0.000 1.252 911 A CA -0.078 51.847 52.037 -0.186 0.000 0.920 911 A CB -0.287 18.643 19.000 -0.117 0.000 1.125 911 A HN 0.991 nan 8.150 nan 0.000 0.528 912 L N 1.604 122.516 121.223 -0.518 0.000 2.463 912 L HA 0.186 4.528 4.340 0.003 0.000 0.219 912 L C -0.369 175.892 176.870 -1.016 0.000 1.088 912 L CA 0.561 54.850 54.840 -0.917 0.000 0.849 912 L CB -0.136 40.982 42.059 -1.569 0.000 1.012 912 L HN 0.761 nan 8.230 nan 0.000 0.468 913 Y N -0.305 119.985 120.300 -0.016 0.000 2.534 913 Y HA 0.681 5.233 4.550 0.003 0.000 0.345 913 Y C -0.522 175.355 175.900 -0.038 0.000 1.031 913 Y CA -0.994 57.106 58.100 -0.001 0.000 1.022 913 Y CB 1.759 40.221 38.460 0.003 0.000 1.292 913 Y HN -0.251 nan 8.280 nan 0.000 0.459 914 L N 2.368 123.674 121.223 0.139 0.000 2.415 914 L HA 0.742 5.084 4.340 0.003 0.000 0.256 914 L C -0.859 176.042 176.870 0.052 0.000 1.010 914 L CA -1.173 53.684 54.840 0.027 0.000 0.826 914 L CB 2.462 44.498 42.059 -0.037 0.000 1.405 914 L HN 0.505 nan 8.230 nan 0.000 0.410 915 K N 0.134 120.541 120.400 0.011 0.000 2.522 915 K HA 0.733 5.055 4.320 0.003 0.000 0.275 915 K C -1.443 175.181 176.600 0.041 0.000 1.006 915 K CA -0.782 55.538 56.287 0.055 0.000 0.890 915 K CB 2.472 35.013 32.500 0.069 0.000 1.475 915 K HN 0.578 nan 8.250 nan 0.000 0.441 916 T N 1.379 115.993 114.554 0.099 0.000 2.991 916 T HA 0.256 4.608 4.350 0.003 0.000 0.303 916 T C -1.098 173.681 174.700 0.133 0.000 1.015 916 T CA -0.649 61.556 62.100 0.175 0.000 1.007 916 T CB 1.439 70.492 68.868 0.308 0.000 1.034 916 T HN 0.100 nan 8.240 nan 0.000 0.446 917 K N 2.360 122.843 120.400 0.139 0.000 2.253 917 K HA 0.437 4.759 4.320 0.003 0.000 0.277 917 K C 1.580 178.203 176.600 0.039 0.000 1.053 917 K CA 0.041 56.380 56.287 0.087 0.000 0.892 917 K CB 0.884 33.462 32.500 0.130 0.000 1.102 917 K HN 0.858 nan 8.250 nan 0.000 0.469 918 G N 4.424 113.207 108.800 -0.029 0.000 3.206 918 G HA2 -0.426 3.536 3.960 0.003 0.000 0.339 918 G HA3 -0.426 3.536 3.960 0.003 0.000 0.339 918 G C 0.836 175.604 174.900 -0.219 0.000 1.543 918 G CA 1.568 46.602 45.100 -0.109 0.000 1.623 918 G HN 0.715 nan 8.290 nan 0.000 0.965 919 D N -0.367 119.900 120.400 -0.222 0.000 2.174 919 D HA 0.144 4.786 4.640 0.003 0.000 0.245 919 D C 1.054 177.189 176.300 -0.275 0.000 1.301 919 D CA -0.401 53.359 54.000 -0.400 0.000 0.959 919 D CB -0.258 40.429 40.800 -0.189 0.000 1.231 919 D HN 0.081 nan 8.370 nan 0.000 0.535 920 F N -0.279 119.763 119.950 0.154 0.000 2.757 920 F HA 0.301 4.829 4.527 0.001 0.000 0.292 920 F C 0.299 176.459 175.800 0.600 0.000 1.204 920 F CA -0.152 58.121 58.000 0.454 0.000 1.417 920 F CB -0.640 38.631 39.000 0.451 0.000 1.001 920 F HN 0.005 nan 8.300 nan 0.000 0.508 921 I N 1.227 122.090 120.570 0.489 0.000 2.385 921 I HA 0.311 4.483 4.170 0.003 0.000 0.294 921 I C -0.526 175.698 176.117 0.180 0.000 0.988 921 I CA -0.602 60.868 61.300 0.283 0.000 1.265 921 I CB 1.114 39.232 38.000 0.197 0.000 1.388 921 I HN -0.131 nan 8.210 nan 0.000 0.480 922 L N 7.059 128.263 121.223 -0.032 0.000 2.277 922 L HA 0.788 5.130 4.340 0.003 0.000 0.254 922 L C -0.535 176.156 176.870 -0.298 0.000 1.044 922 L CA -1.116 53.612 54.840 -0.186 0.000 0.842 922 L CB 1.551 43.400 42.059 -0.350 0.000 1.422 922 L HN 0.328 nan 8.230 nan 0.000 0.422 923 V N -1.072 118.658 119.914 -0.307 0.000 2.924 923 V HA 0.999 5.121 4.120 0.003 0.000 0.300 923 V C -0.790 175.162 176.094 -0.236 0.000 1.227 923 V CA 0.680 62.767 62.300 -0.354 0.000 0.954 923 V CB 1.494 33.027 31.823 -0.483 0.000 1.055 923 V HN 1.333 nan 8.190 nan 0.000 0.429 924 G N 3.604 112.273 108.800 -0.218 0.000 2.350 924 G HA2 0.491 4.453 3.960 0.003 0.000 0.305 924 G HA3 0.491 4.453 3.960 0.003 0.000 0.305 924 G C -1.851 172.976 174.900 -0.121 0.000 1.479 924 G CA 0.180 45.218 45.100 -0.104 0.000 0.949 924 G HN 1.341 nan 8.290 nan 0.000 0.651 925 D N -0.940 119.427 120.400 -0.056 0.000 2.926 925 D HA 0.165 4.807 4.640 0.003 0.000 0.272 925 D C 0.600 176.840 176.300 -0.099 0.000 1.172 925 D CA -0.282 53.644 54.000 -0.123 0.000 0.731 925 D CB 1.894 42.606 40.800 -0.147 0.000 1.282 925 D HN 0.776 nan 8.370 nan 0.000 0.430 926 L N 2.722 123.825 121.223 -0.199 0.000 2.022 926 L HA 0.147 4.489 4.340 0.003 0.000 0.204 926 L C 2.199 178.870 176.870 -0.333 0.000 1.076 926 L CA 2.049 56.762 54.840 -0.212 0.000 0.749 926 L CB -0.454 41.431 42.059 -0.289 0.000 0.903 926 L HN 0.656 nan 8.230 nan 0.000 0.439 927 M N -1.849 117.388 119.600 -0.604 0.000 2.371 927 M HA 0.310 4.792 4.480 0.003 0.000 0.246 927 M C 0.277 176.239 176.300 -0.563 0.000 1.103 927 M CA 0.453 55.104 55.300 -1.081 0.000 1.010 927 M CB 0.262 31.862 32.600 -1.666 0.000 1.457 927 M HN 0.064 nan 8.290 nan 0.000 0.486 928 R N 1.832 122.144 120.500 -0.312 0.000 2.881 928 R HA 0.356 4.698 4.340 0.003 0.000 0.331 928 R C 0.307 176.523 176.300 -0.139 0.000 1.207 928 R CA 0.396 56.375 56.100 -0.202 0.000 1.265 928 R CB 0.353 30.539 30.300 -0.190 0.000 1.351 928 R HN 0.625 nan 8.270 nan 0.000 0.613 929 S N 0.244 115.905 115.700 -0.065 0.000 4.106 929 S HA -0.292 4.180 4.470 0.003 0.000 0.541 929 S C 0.520 175.145 174.600 0.042 0.000 1.846 929 S CA 1.133 59.366 58.200 0.055 0.000 4.137 929 S CB -1.340 61.858 63.200 -0.003 0.000 0.892 929 S HN 0.547 nan 8.310 nan 0.000 0.535 930 V N -1.470 118.458 119.914 0.024 0.000 2.789 930 V HA 0.901 5.023 4.120 0.003 0.000 0.311 930 V C -0.657 175.351 176.094 -0.144 0.000 1.073 930 V CA -1.192 61.091 62.300 -0.030 0.000 0.921 930 V CB 1.450 33.297 31.823 0.041 0.000 1.009 930 V HN 0.853 nan 8.190 nan 0.000 0.426 931 L N 4.080 125.179 121.223 -0.208 0.000 2.322 931 L HA 0.758 5.100 4.340 0.003 0.000 0.269 931 L C -0.487 176.204 176.870 -0.298 0.000 1.012 931 L CA -0.635 54.054 54.840 -0.250 0.000 0.815 931 L CB 1.615 43.498 42.059 -0.293 0.000 1.295 931 L HN 0.788 nan 8.230 nan 0.000 0.438 932 L N 2.076 123.150 121.223 -0.248 0.000 2.356 932 L HA 0.730 5.072 4.340 0.003 0.000 0.277 932 L C -1.351 175.411 176.870 -0.180 0.000 0.996 932 L CA -0.252 54.430 54.840 -0.265 0.000 0.822 932 L CB 1.402 43.380 42.059 -0.135 0.000 1.256 932 L HN 0.360 nan 8.230 nan 0.000 0.413 933 L N 3.957 125.059 121.223 -0.201 0.000 2.354 933 L HA 0.964 5.306 4.340 0.003 0.000 0.264 933 L C -0.340 176.537 176.870 0.011 0.000 1.008 933 L CA -0.253 54.502 54.840 -0.142 0.000 0.819 933 L CB 1.987 43.824 42.059 -0.370 0.000 1.339 933 L HN 0.784 nan 8.230 nan 0.000 0.420 934 A N 0.860 123.763 122.820 0.138 0.000 2.384 934 A HA 0.690 5.012 4.320 0.003 0.000 0.312 934 A C -1.899 175.960 177.584 0.459 0.000 1.113 934 A CA -0.425 51.791 52.037 0.298 0.000 0.779 934 A CB 1.072 20.226 19.000 0.256 0.000 1.307 934 A HN 0.549 nan 8.150 nan 0.000 0.436 935 Y N 1.249 121.815 120.300 0.442 0.000 2.330 935 Y HA 0.545 5.097 4.550 0.003 0.000 0.336 935 Y C -0.475 175.457 175.900 0.054 0.000 1.036 935 Y CA -0.839 57.449 58.100 0.314 0.000 1.125 935 Y CB 1.303 40.045 38.460 0.471 0.000 1.194 935 Y HN 0.410 nan 8.280 nan 0.000 0.469 936 K N 8.163 128.133 120.400 -0.717 0.000 2.404 936 K HA 0.309 4.631 4.320 0.003 0.000 0.257 936 K C -2.704 173.372 176.600 -0.872 0.000 1.026 936 K CA -2.538 53.411 56.287 -0.563 0.000 0.951 936 K CB 1.029 33.354 32.500 -0.292 0.000 1.203 936 K HN 0.456 nan 8.250 nan 0.000 0.446 937 P HA -0.000 nan 4.420 nan 0.000 0.238 937 P C 0.311 177.458 177.300 -0.254 0.000 1.649 937 P CA 0.448 63.297 63.100 -0.419 0.000 0.960 937 P CB -0.053 31.480 31.700 -0.277 0.000 1.911 938 M N 0.958 120.387 119.600 -0.285 0.000 2.799 938 M HA 0.127 4.609 4.480 0.003 0.000 0.147 938 M C 0.917 177.127 176.300 -0.149 0.000 1.552 938 M CA 0.396 55.593 55.300 -0.172 0.000 1.501 938 M CB 0.362 32.865 32.600 -0.162 0.000 0.757 938 M HN -0.134 nan 8.290 nan 0.000 0.515 939 E N 0.501 120.609 120.200 -0.152 0.000 2.437 939 E HA 0.305 4.657 4.350 0.003 0.000 0.189 939 E C 0.357 176.866 176.600 -0.152 0.000 1.054 939 E CA 0.278 56.606 56.400 -0.119 0.000 0.874 939 E CB -0.306 29.339 29.700 -0.091 0.000 1.011 939 E HN 0.888 nan 8.360 nan 0.000 0.474 940 G N 1.292 109.937 108.800 -0.259 0.000 2.422 940 G HA2 -0.312 3.650 3.960 0.003 0.000 0.290 940 G HA3 -0.312 3.650 3.960 0.003 0.000 0.290 940 G C -0.851 173.854 174.900 -0.325 0.000 1.059 940 G CA 0.409 45.320 45.100 -0.315 0.000 1.242 940 G HN 0.481 nan 8.290 nan 0.000 0.520 941 N N -1.034 117.372 118.700 -0.490 0.000 2.509 941 N HA 0.705 5.447 4.740 0.003 0.000 0.280 941 N C -0.417 174.916 175.510 -0.294 0.000 1.306 941 N CA -1.163 51.682 53.050 -0.341 0.000 0.782 941 N CB 1.446 39.824 38.487 -0.182 0.000 1.493 941 N HN 0.082 nan 8.380 nan 0.000 0.498 942 F N 0.994 120.939 119.950 -0.008 0.000 2.404 942 F HA 0.219 4.748 4.527 0.003 0.000 0.345 942 F C 0.732 176.546 175.800 0.023 0.000 1.110 942 F CA -0.461 57.558 58.000 0.032 0.000 1.130 942 F CB 1.124 40.162 39.000 0.065 0.000 1.129 942 F HN 0.273 nan 8.300 nan 0.000 0.500 943 E N 3.873 124.222 120.200 0.247 0.000 2.092 943 E HA 0.063 4.415 4.350 0.003 0.000 0.271 943 E C -0.694 175.996 176.600 0.150 0.000 0.919 943 E CA -0.555 55.939 56.400 0.158 0.000 0.760 943 E CB 0.934 30.696 29.700 0.103 0.000 1.106 943 E HN 0.618 nan 8.360 nan 0.000 0.408 944 E N 5.311 125.603 120.200 0.154 0.000 2.161 944 E HA -0.008 4.344 4.350 0.003 0.000 0.263 944 E C 0.615 177.265 176.600 0.084 0.000 1.185 944 E CA -0.045 56.425 56.400 0.118 0.000 0.938 944 E CB 0.421 30.233 29.700 0.187 0.000 1.023 944 E HN 0.688 nan 8.360 nan 0.000 0.433 945 I N 3.635 124.240 120.570 0.058 0.000 2.193 945 I HA -0.060 4.112 4.170 0.003 0.000 0.240 945 I C 0.862 177.028 176.117 0.082 0.000 1.084 945 I CA 1.105 62.450 61.300 0.076 0.000 1.365 945 I CB 0.112 38.163 38.000 0.085 0.000 1.064 945 I HN 0.554 nan 8.210 nan 0.000 0.410 946 A N -0.099 122.750 122.820 0.048 0.000 2.601 946 A HA 0.729 5.051 4.320 0.003 0.000 0.291 946 A C -0.960 176.590 177.584 -0.058 0.000 1.075 946 A CA -0.716 51.353 52.037 0.053 0.000 0.671 946 A CB 1.264 20.332 19.000 0.113 0.000 1.277 946 A HN 0.215 nan 8.150 nan 0.000 0.417 947 R N 0.527 120.931 120.500 -0.161 0.000 2.817 947 R HA 0.696 5.038 4.340 0.003 0.000 0.268 947 R C -1.881 174.172 176.300 -0.412 0.000 1.027 947 R CA -0.647 55.237 56.100 -0.361 0.000 0.928 947 R CB 1.643 31.602 30.300 -0.567 0.000 1.228 947 R HN 0.589 nan 8.270 nan 0.000 0.469 948 D N 1.131 121.324 120.400 -0.344 0.000 2.232 948 D HA 0.221 4.863 4.640 0.003 0.000 0.242 948 D C -1.046 175.045 176.300 -0.348 0.000 1.093 948 D CA -0.496 53.380 54.000 -0.206 0.000 0.845 948 D CB 0.761 41.531 40.800 -0.051 0.000 1.124 948 D HN 0.470 nan 8.370 nan 0.000 0.467 949 F N 3.001 122.878 119.950 -0.122 0.000 2.611 949 F HA 0.331 4.859 4.527 0.003 0.000 0.321 949 F C 0.145 175.883 175.800 -0.104 0.000 1.208 949 F CA -0.561 57.363 58.000 -0.127 0.000 1.249 949 F CB -0.032 38.871 39.000 -0.160 0.000 1.514 949 F HN 0.128 nan 8.300 nan 0.000 0.561 950 N N 0.229 118.911 118.700 -0.030 0.000 2.284 950 N HA 0.366 5.108 4.740 0.003 0.000 0.289 950 N C -2.568 172.909 175.510 -0.056 0.000 1.179 950 N CA -1.778 51.238 53.050 -0.057 0.000 0.774 950 N CB 1.969 40.361 38.487 -0.157 0.000 1.548 950 N HN -0.205 nan 8.380 nan 0.000 0.473 951 P HA 0.149 nan 4.420 nan 0.000 0.235 951 P C -1.187 176.197 177.300 0.139 0.000 1.725 951 P CA -0.193 62.939 63.100 0.054 0.000 0.894 951 P CB -0.383 31.389 31.700 0.120 0.000 1.704 952 N N 0.908 119.640 118.700 0.054 0.000 2.416 952 N HA -0.021 4.721 4.740 0.003 0.000 0.265 952 N C -0.459 175.163 175.510 0.186 0.000 1.195 952 N CA 0.059 53.193 53.050 0.140 0.000 0.943 952 N CB 0.124 38.642 38.487 0.052 0.000 1.115 952 N HN 0.166 nan 8.380 nan 0.000 0.481 953 W N 3.762 125.076 121.300 0.023 0.000 2.351 953 W HA 0.180 4.842 4.660 0.004 0.000 0.421 953 W C 0.332 176.886 176.519 0.058 0.000 1.000 953 W CA -0.595 56.771 57.345 0.035 0.000 1.610 953 W CB -0.364 29.109 29.460 0.022 0.000 1.700 953 W HN 0.215 nan 8.180 nan 0.000 0.351 954 M N 1.743 121.486 119.600 0.237 0.000 2.247 954 M HA -0.069 4.413 4.480 0.003 0.000 0.318 954 M C 1.423 177.845 176.300 0.203 0.000 1.054 954 M CA 0.793 56.221 55.300 0.213 0.000 1.117 954 M CB -0.051 32.719 32.600 0.283 0.000 1.515 954 M HN 0.499 nan 8.290 nan 0.000 0.442 955 S N -0.683 114.979 115.700 -0.063 0.000 2.663 955 S HA 0.601 5.073 4.470 0.003 0.000 0.247 955 S C 0.277 174.448 174.600 -0.715 0.000 1.074 955 S CA 0.167 58.252 58.200 -0.191 0.000 0.955 955 S CB 0.593 63.463 63.200 -0.549 0.000 0.901 955 S HN 0.943 nan 8.310 nan 0.000 0.505 956 A N 0.467 122.880 122.820 -0.679 0.000 2.589 956 A HA 0.761 5.083 4.320 0.003 0.000 0.296 956 A C -1.554 175.940 177.584 -0.150 0.000 1.062 956 A CA -0.587 51.060 52.037 -0.649 0.000 0.686 956 A CB 1.784 20.410 19.000 -0.623 0.000 1.282 956 A HN 0.528 nan 8.150 nan 0.000 0.404 957 V N 1.051 120.962 119.914 -0.005 0.000 2.760 957 V HA 0.779 4.901 4.120 0.003 0.000 0.309 957 V C -0.767 175.336 176.094 0.016 0.000 1.077 957 V CA -0.317 61.982 62.300 -0.002 0.000 0.910 957 V CB 2.061 33.888 31.823 0.007 0.000 1.008 957 V HN 1.107 nan 8.190 nan 0.000 0.424 958 E N 3.107 123.184 120.200 -0.205 0.000 2.408 958 E HA 0.622 4.974 4.350 0.003 0.000 0.275 958 E C -1.683 174.896 176.600 -0.035 0.000 0.935 958 E CA -0.534 55.773 56.400 -0.155 0.000 0.775 958 E CB 2.056 31.490 29.700 -0.444 0.000 1.277 958 E HN 0.549 nan 8.360 nan 0.000 0.455 959 I N 4.952 125.600 120.570 0.131 0.000 2.330 959 I HA 0.203 4.375 4.170 0.003 0.000 0.289 959 I C 0.689 176.944 176.117 0.230 0.000 1.001 959 I CA -0.308 61.150 61.300 0.263 0.000 1.193 959 I CB 0.950 39.115 38.000 0.275 0.000 1.345 959 I HN 0.554 nan 8.210 nan 0.000 0.461 960 L N 4.421 125.704 121.223 0.100 0.000 2.307 960 L HA 0.190 4.532 4.340 0.003 0.000 0.211 960 L C 0.168 177.082 176.870 0.073 0.000 1.099 960 L CA 0.346 55.232 54.840 0.076 0.000 0.816 960 L CB -0.455 41.564 42.059 -0.066 0.000 0.952 960 L HN 0.688 nan 8.230 nan 0.000 0.455 961 D N -3.408 116.994 120.400 0.003 0.000 2.769 961 D HA -0.025 4.617 4.640 0.003 0.000 0.309 961 D C -0.122 176.136 176.300 -0.071 0.000 1.315 961 D CA -0.607 53.373 54.000 -0.033 0.000 0.780 961 D CB 0.179 40.938 40.800 -0.069 0.000 1.312 961 D HN -0.193 nan 8.370 nan 0.000 0.437 962 D N -0.618 119.752 120.400 -0.050 0.000 2.254 962 D HA -0.152 4.490 4.640 0.003 0.000 0.201 962 D C 0.127 176.359 176.300 -0.114 0.000 0.998 962 D CA 1.505 55.494 54.000 -0.019 0.000 0.885 962 D CB 0.227 41.016 40.800 -0.019 0.000 0.915 962 D HN 0.412 nan 8.370 nan 0.000 0.460 963 D N -0.841 119.376 120.400 -0.305 0.000 2.480 963 D HA 0.041 4.683 4.640 0.003 0.000 0.243 963 D C -0.025 175.801 176.300 -0.790 0.000 1.120 963 D CA -0.134 53.603 54.000 -0.438 0.000 0.835 963 D CB 0.346 41.010 40.800 -0.227 0.000 1.204 963 D HN -0.011 nan 8.370 nan 0.000 0.513 964 N N 0.842 119.098 118.700 -0.740 0.000 2.424 964 N HA 0.301 5.043 4.740 0.003 0.000 0.271 964 N C -1.029 174.074 175.510 -0.678 0.000 0.985 964 N CA -0.184 52.474 53.050 -0.655 0.000 0.921 964 N CB 0.847 39.135 38.487 -0.332 0.000 1.149 964 N HN -0.068 nan 8.380 nan 0.000 0.492 965 F N 1.793 121.696 119.950 -0.079 0.000 2.402 965 F HA 0.402 4.931 4.527 0.003 0.000 0.355 965 F C 0.608 176.283 175.800 -0.208 0.000 1.123 965 F CA -0.953 56.976 58.000 -0.119 0.000 1.021 965 F CB 1.553 40.507 39.000 -0.077 0.000 1.160 965 F HN 0.063 nan 8.300 nan 0.000 0.451 966 L N 2.870 124.001 121.223 -0.153 0.000 2.371 966 L HA 0.737 5.079 4.340 0.003 0.000 0.272 966 L C 0.283 176.816 176.870 -0.562 0.000 1.124 966 L CA -0.122 54.474 54.840 -0.405 0.000 0.816 966 L CB 1.263 42.929 42.059 -0.655 0.000 1.129 966 L HN 0.833 nan 8.230 nan 0.000 0.448 967 G N 2.372 110.715 108.800 -0.761 0.000 2.667 967 G HA2 0.721 4.683 3.960 0.003 0.000 0.298 967 G HA3 0.721 4.683 3.960 0.003 0.000 0.298 967 G C -1.878 172.676 174.900 -0.578 0.000 1.377 967 G CA -0.297 44.273 45.100 -0.883 0.000 0.964 967 G HN 0.812 nan 8.290 nan 0.000 0.493 968 A N 1.273 123.970 122.820 -0.205 0.000 2.393 968 A HA 0.904 5.226 4.320 0.003 0.000 0.306 968 A C -0.598 176.893 177.584 -0.155 0.000 1.050 968 A CA -0.614 51.330 52.037 -0.155 0.000 0.724 968 A CB 2.200 21.066 19.000 -0.223 0.000 1.248 968 A HN 0.986 nan 8.150 nan 0.000 0.424 969 E N 2.145 122.246 120.200 -0.165 0.000 2.413 969 E HA 0.235 4.587 4.350 0.003 0.000 0.277 969 E C 0.201 176.632 176.600 -0.283 0.000 0.958 969 E CA -0.624 55.697 56.400 -0.132 0.000 0.779 969 E CB 0.896 30.670 29.700 0.124 0.000 1.278 969 E HN 0.518 nan 8.360 nan 0.000 0.456 970 N N 1.921 120.531 118.700 -0.149 0.000 1.575 970 N HA -0.340 4.402 4.740 0.003 0.000 0.123 970 N C 0.524 175.787 175.510 -0.412 0.000 0.413 970 N CA 3.559 56.562 53.050 -0.078 0.000 0.870 970 N CB -0.573 37.909 38.487 -0.009 0.000 0.669 970 N HN 0.661 nan 8.380 nan 0.000 1.398 971 A N -1.789 120.712 122.820 -0.532 0.000 2.643 971 A HA 0.483 4.805 4.320 0.003 0.000 0.295 971 A C 0.042 177.206 177.584 -0.699 0.000 1.065 971 A CA -0.021 51.563 52.037 -0.756 0.000 0.986 971 A CB -0.708 18.068 19.000 -0.374 0.000 1.212 971 A HN 0.363 nan 8.150 nan 0.000 0.516 972 F N -1.024 118.825 119.950 -0.168 0.000 3.100 972 F HA -0.251 4.278 4.527 0.003 0.000 0.283 972 F C 0.207 175.681 175.800 -0.544 0.000 0.900 972 F CA 0.427 58.227 58.000 -0.334 0.000 1.010 972 F CB -2.305 36.501 39.000 -0.324 0.000 1.029 972 F HN 0.418 nan 8.300 nan 0.000 0.637 973 N N 1.188 119.679 118.700 -0.349 0.000 2.430 973 N HA 0.778 5.520 4.740 0.003 0.000 0.298 973 N C -0.299 175.109 175.510 -0.170 0.000 1.130 973 N CA -0.656 52.174 53.050 -0.366 0.000 0.894 973 N CB 2.196 40.232 38.487 -0.752 0.000 1.209 973 N HN 0.127 nan 8.380 nan 0.000 0.503 974 L N 1.272 122.421 121.223 -0.123 0.000 2.330 974 L HA 0.632 4.974 4.340 0.003 0.000 0.271 974 L C -0.734 176.187 176.870 0.084 0.000 1.013 974 L CA -0.964 53.801 54.840 -0.125 0.000 0.816 974 L CB 0.967 42.823 42.059 -0.338 0.000 1.287 974 L HN 0.566 nan 8.230 nan 0.000 0.435 975 F N 0.428 120.391 119.950 0.021 0.000 2.631 975 F HA 0.799 5.328 4.527 0.003 0.000 0.308 975 F C -1.542 174.360 175.800 0.169 0.000 1.097 975 F CA -1.039 57.037 58.000 0.127 0.000 0.952 975 F CB 1.279 40.383 39.000 0.173 0.000 1.307 975 F HN 0.009 nan 8.300 nan 0.000 0.450 976 V N 1.717 121.871 119.914 0.399 0.000 2.604 976 V HA 0.545 4.667 4.120 0.003 0.000 0.305 976 V C -0.648 175.597 176.094 0.252 0.000 1.043 976 V CA -0.662 61.761 62.300 0.205 0.000 0.888 976 V CB 1.612 33.509 31.823 0.122 0.000 0.995 976 V HN 1.118 nan 8.190 nan 0.000 0.429 977 C N 4.383 123.807 119.300 0.207 0.000 2.435 977 C HA 0.812 5.273 4.460 0.003 0.000 0.333 977 C C -0.069 174.926 174.990 0.008 0.000 1.202 977 C CA -0.699 58.430 59.018 0.185 0.000 1.830 977 C CB 1.219 29.149 27.740 0.317 0.000 2.326 977 C HN 1.000 nan 8.230 nan 0.000 0.507 978 Q N 1.808 121.596 119.800 -0.020 0.000 2.456 978 Q HA 0.541 4.883 4.340 0.003 0.000 0.283 978 Q C -1.292 174.706 176.000 -0.004 0.000 1.084 978 Q CA -0.893 54.839 55.803 -0.119 0.000 0.801 978 Q CB 1.395 30.019 28.738 -0.189 0.000 1.434 978 Q HN 0.681 nan 8.270 nan 0.000 0.419 979 K N 0.842 121.241 120.400 -0.002 0.000 2.382 979 K HA 0.089 4.411 4.320 0.003 0.000 0.275 979 K C -0.837 175.781 176.600 0.031 0.000 1.009 979 K CA -0.250 56.073 56.287 0.061 0.000 0.970 979 K CB 0.578 33.127 32.500 0.082 0.000 0.934 979 K HN 0.691 nan 8.250 nan 0.000 0.479 980 D N 2.048 122.483 120.400 0.057 0.000 2.402 980 D HA 0.012 4.654 4.640 0.003 0.000 0.235 980 D C -0.742 175.573 176.300 0.025 0.000 1.226 980 D CA -0.140 53.882 54.000 0.037 0.000 0.918 980 D CB 0.203 41.038 40.800 0.057 0.000 1.043 980 D HN 0.389 nan 8.370 nan 0.000 0.506 981 S N 2.507 118.211 115.700 0.007 0.000 2.589 981 S HA 0.449 4.921 4.470 0.003 0.000 0.306 981 S C -0.134 174.468 174.600 0.003 0.000 1.221 981 S CA -0.208 57.995 58.200 0.004 0.000 1.159 981 S CB 0.036 63.232 63.200 -0.007 0.000 0.990 981 S HN 0.599 nan 8.310 nan 0.000 0.514 982 A N 2.798 125.622 122.820 0.007 0.000 2.555 982 A HA 0.744 5.066 4.320 0.003 0.000 0.297 982 A C -0.128 177.457 177.584 0.001 0.000 1.060 982 A CA -0.528 51.510 52.037 0.001 0.000 0.710 982 A CB 0.546 19.545 19.000 -0.002 0.000 1.282 982 A HN 0.972 nan 8.150 nan 0.000 0.399 983 A N 1.660 124.478 122.820 -0.004 0.000 2.521 983 A HA 0.553 4.875 4.320 0.003 0.000 0.237 983 A C 1.379 178.957 177.584 -0.010 0.000 1.087 983 A CA 1.493 53.527 52.037 -0.005 0.000 0.777 983 A CB -0.560 18.436 19.000 -0.007 0.000 1.035 983 A HN 2.794 nan 8.150 nan 0.000 0.510 984 T N -2.008 112.541 114.554 -0.009 0.000 4.290 984 T HA -0.211 4.141 4.350 0.003 0.000 0.334 984 T C 0.360 175.054 174.700 -0.009 0.000 0.761 984 T CA 1.623 63.714 62.100 -0.014 0.000 1.950 984 T CB -2.945 65.906 68.868 -0.027 0.000 1.898 984 T HN 2.548 nan 8.240 nan 0.000 0.906 985 T N -1.360 113.196 114.554 0.003 0.000 4.657 985 T HA 0.376 4.728 4.350 0.003 0.000 0.215 985 T C 0.511 175.225 174.700 0.023 0.000 0.756 985 T CA 0.704 62.813 62.100 0.015 0.000 1.395 985 T CB -0.249 68.631 68.868 0.020 0.000 1.396 985 T HN 0.561 nan 8.240 nan 0.000 0.898 986 D N -0.181 120.230 120.400 0.018 0.000 2.059 986 D HA 0.151 4.793 4.640 0.003 0.000 0.398 986 D C 1.401 177.722 176.300 0.035 0.000 1.003 986 D CA -0.112 53.906 54.000 0.031 0.000 0.916 986 D CB 0.400 41.211 40.800 0.018 0.000 1.647 986 D HN 0.457 nan 8.370 nan 0.000 0.529 987 E N 0.418 120.609 120.200 -0.016 0.000 2.378 987 E HA 0.215 4.567 4.350 0.003 0.000 0.200 987 E C 1.351 177.834 176.600 -0.195 0.000 0.882 987 E CA 0.478 56.822 56.400 -0.095 0.000 1.061 987 E CB 0.325 29.929 29.700 -0.160 0.000 1.049 987 E HN 0.031 nan 8.360 nan 0.000 0.494 988 E N 0.177 120.290 120.200 -0.146 0.000 2.160 988 E HA -0.210 4.142 4.350 0.003 0.000 0.195 988 E C 1.901 178.515 176.600 0.024 0.000 0.991 988 E CA 0.955 57.298 56.400 -0.095 0.000 0.810 988 E CB 0.051 29.716 29.700 -0.059 0.000 0.742 988 E HN -0.094 nan 8.360 nan 0.000 0.466 989 R N 0.882 121.410 120.500 0.046 0.000 2.090 989 R HA -0.109 4.233 4.340 0.003 0.000 0.228 989 R C 1.935 178.329 176.300 0.158 0.000 1.110 989 R CA 1.271 57.424 56.100 0.088 0.000 0.973 989 R CB -0.123 30.218 30.300 0.067 0.000 0.869 989 R HN -0.014 nan 8.270 nan 0.000 0.440 990 Q N -0.302 119.630 119.800 0.220 0.000 2.515 990 Q HA 0.004 4.346 4.340 0.003 0.000 0.212 990 Q C -0.647 175.648 176.000 0.491 0.000 0.970 990 Q CA 0.789 56.792 55.803 0.333 0.000 0.941 990 Q CB 0.072 29.033 28.738 0.372 0.000 0.998 990 Q HN 0.485 nan 8.270 nan 0.000 0.518 991 H N -0.500 118.681 119.070 0.184 0.000 2.572 991 H HA 0.443 5.001 4.556 0.003 0.000 0.359 991 H C -1.219 174.197 175.328 0.148 0.000 1.134 991 H CA -1.312 54.880 56.048 0.240 0.000 1.187 991 H CB 1.419 31.314 29.762 0.222 0.000 1.597 991 H HN -0.012 nan 8.280 nan 0.000 0.524 992 L N 0.447 121.801 121.223 0.218 0.000 2.386 992 L HA 0.485 4.827 4.340 0.003 0.000 0.271 992 L C -0.544 176.402 176.870 0.126 0.000 0.993 992 L CA -1.204 53.728 54.840 0.154 0.000 0.819 992 L CB 1.424 43.578 42.059 0.158 0.000 1.294 992 L HN 0.431 nan 8.230 nan 0.000 0.414 993 Q N 1.116 120.971 119.800 0.091 0.000 2.230 993 Q HA 0.410 4.752 4.340 0.003 0.000 0.253 993 Q C -0.664 175.365 176.000 0.048 0.000 0.919 993 Q CA -0.217 55.622 55.803 0.060 0.000 0.908 993 Q CB 1.585 30.344 28.738 0.035 0.000 1.245 993 Q HN 0.567 nan 8.270 nan 0.000 0.437 994 E N 1.878 122.091 120.200 0.021 0.000 1.939 994 E HA 0.002 4.354 4.350 0.003 0.000 0.259 994 E C 0.237 176.849 176.600 0.020 0.000 1.259 994 E CA 0.038 56.454 56.400 0.026 0.000 0.971 994 E CB 0.054 29.694 29.700 -0.101 0.000 1.055 994 E HN 0.475 nan 8.360 nan 0.000 0.420 995 V N 0.314 120.249 119.914 0.034 0.000 3.633 995 V HA 0.361 4.483 4.120 0.003 0.000 0.283 995 V C 0.630 176.737 176.094 0.021 0.000 1.305 995 V CA 0.164 62.453 62.300 -0.019 0.000 1.153 995 V CB 0.219 31.983 31.823 -0.099 0.000 0.950 995 V HN 0.429 nan 8.190 nan 0.000 0.432 996 G N 0.337 109.228 108.800 0.151 0.000 2.768 996 G HA2 0.666 4.628 3.960 0.003 0.000 0.297 996 G HA3 0.666 4.628 3.960 0.003 0.000 0.297 996 G C -1.633 173.515 174.900 0.414 0.000 1.430 996 G CA -0.665 44.651 45.100 0.359 0.000 1.030 996 G HN 0.240 nan 8.290 nan 0.000 0.553 997 L N 0.932 122.370 121.223 0.358 0.000 2.465 997 L HA 0.861 5.203 4.340 0.003 0.000 0.257 997 L C -1.281 175.717 176.870 0.213 0.000 0.988 997 L CA -1.025 53.977 54.840 0.270 0.000 0.827 997 L CB 2.918 45.058 42.059 0.136 0.000 1.397 997 L HN 0.637 nan 8.230 nan 0.000 0.410 998 F N 0.586 120.488 119.950 -0.080 0.000 2.656 998 F HA 0.234 4.763 4.527 0.004 0.000 0.317 998 F C -1.202 174.416 175.800 -0.303 0.000 1.016 998 F CA -0.538 57.288 58.000 -0.289 0.000 1.097 998 F CB 0.823 39.384 39.000 -0.732 0.000 1.360 998 F HN 0.570 nan 8.300 nan 0.000 0.593 999 H N 6.894 125.442 119.070 -0.870 0.000 2.864 999 H HA 0.337 4.894 4.556 0.003 0.000 0.281 999 H C 0.396 175.181 175.328 -0.904 0.000 1.093 999 H CA 0.140 55.724 56.048 -0.774 0.000 1.453 999 H CB 1.130 30.411 29.762 -0.803 0.000 1.462 999 H HN 0.816 nan 8.280 nan 0.000 0.480 1000 L N 3.996 124.868 121.223 -0.585 0.000 2.068 1000 L HA 0.090 4.432 4.340 0.003 0.000 0.204 1000 L C 1.312 177.968 176.870 -0.357 0.000 1.076 1000 L CA 1.566 56.258 54.840 -0.247 0.000 0.753 1000 L CB -0.298 41.696 42.059 -0.108 0.000 0.910 1000 L HN 1.062 nan 8.230 nan 0.000 0.439 1001 G N -0.107 108.373 108.800 -0.533 0.000 2.144 1001 G HA2 -0.163 3.799 3.960 0.003 0.000 0.218 1001 G HA3 -0.163 3.799 3.960 0.003 0.000 0.218 1001 G C -0.078 174.738 174.900 -0.139 0.000 0.988 1001 G CA -0.113 44.856 45.100 -0.219 0.000 0.659 1001 G HN 0.382 nan 8.290 nan 0.000 0.522 1002 E N -1.070 119.090 120.200 -0.065 0.000 2.343 1002 E HA 0.555 4.907 4.350 0.003 0.000 0.270 1002 E C -1.257 175.477 176.600 0.223 0.000 0.895 1002 E CA -0.976 55.444 56.400 0.033 0.000 0.767 1002 E CB 1.839 31.603 29.700 0.106 0.000 1.248 1002 E HN 0.117 nan 8.360 nan 0.000 0.440 1003 F N 1.912 121.957 119.950 0.159 0.000 2.421 1003 F HA 0.200 4.729 4.527 0.004 0.000 0.358 1003 F C -0.220 175.587 175.800 0.013 0.000 1.115 1003 F CA -0.524 57.590 58.000 0.191 0.000 1.160 1003 F CB 0.648 39.792 39.000 0.239 0.000 1.123 1003 F HN 0.054 nan 8.300 nan 0.000 0.508 1004 V N 7.642 127.341 119.914 -0.359 0.000 2.408 1004 V HA 0.082 4.204 4.120 0.003 0.000 0.267 1004 V C 0.633 176.526 176.094 -0.335 0.000 1.047 1004 V CA -0.321 61.761 62.300 -0.365 0.000 0.937 1004 V CB 0.865 32.275 31.823 -0.688 0.000 0.999 1004 V HN 0.767 nan 8.190 nan 0.000 0.472 1005 N N 3.016 121.643 118.700 -0.122 0.000 2.402 1005 N HA 0.069 4.811 4.740 0.003 0.000 0.174 1005 N C 0.066 175.457 175.510 -0.198 0.000 1.027 1005 N CA 0.720 53.727 53.050 -0.072 0.000 0.891 1005 N CB 1.284 39.801 38.487 0.050 0.000 1.016 1005 N HN 0.497 nan 8.380 nan 0.000 0.439 1006 V N 0.619 120.371 119.914 -0.270 0.000 2.777 1006 V HA 0.457 4.579 4.120 0.003 0.000 0.306 1006 V C -1.784 174.139 176.094 -0.286 0.000 1.112 1006 V CA -0.804 61.370 62.300 -0.211 0.000 0.917 1006 V CB 1.283 33.074 31.823 -0.053 0.000 1.018 1006 V HN -0.092 nan 8.190 nan 0.000 0.426 1007 F N 5.687 125.630 119.950 -0.011 0.000 2.458 1007 F HA 0.838 5.367 4.527 0.004 0.000 0.330 1007 F C 0.323 176.133 175.800 0.017 0.000 1.082 1007 F CA -0.263 57.741 58.000 0.007 0.000 0.995 1007 F CB 1.831 40.795 39.000 -0.061 0.000 1.170 1007 F HN 0.888 nan 8.300 nan 0.000 0.478 1008 C N 0.532 119.967 119.300 0.224 0.000 3.090 1008 C HA 0.431 4.893 4.460 0.003 0.000 0.347 1008 C C -0.872 174.173 174.990 0.092 0.000 1.147 1008 C CA -1.018 58.100 59.018 0.168 0.000 1.305 1008 C CB 0.801 28.635 27.740 0.158 0.000 1.692 1008 C HN 0.833 nan 8.230 nan 0.000 0.506 1009 H N 1.276 120.412 119.070 0.109 0.000 2.848 1009 H HA 0.555 5.113 4.556 0.004 0.000 0.341 1009 H C 0.779 176.151 175.328 0.074 0.000 1.060 1009 H CA 2.003 58.100 56.048 0.081 0.000 1.444 1009 H CB 1.274 31.071 29.762 0.059 0.000 1.446 1009 H HN 1.329 nan 8.280 nan 0.000 0.583 1010 G N 0.515 109.404 108.800 0.149 0.000 2.320 1010 G HA2 0.284 4.246 3.960 0.003 0.000 0.297 1010 G HA3 0.284 4.246 3.960 0.003 0.000 0.297 1010 G C -1.450 173.492 174.900 0.070 0.000 1.344 1010 G CA -0.133 45.029 45.100 0.104 0.000 0.851 1010 G HN 0.678 nan 8.290 nan 0.000 0.567 1011 S N -1.679 114.054 115.700 0.055 0.000 2.570 1011 S HA 0.611 5.083 4.470 0.003 0.000 0.270 1011 S C -0.071 174.551 174.600 0.036 0.000 1.149 1011 S CA -0.576 57.650 58.200 0.044 0.000 0.837 1011 S CB 1.429 64.654 63.200 0.041 0.000 1.124 1011 S HN 0.932 nan 8.310 nan 0.000 0.465 1012 L N 2.857 124.100 121.223 0.034 0.000 2.667 1012 L HA 0.232 4.574 4.340 0.003 0.000 0.232 1012 L C 1.079 177.960 176.870 0.018 0.000 1.138 1012 L CA -0.016 54.840 54.840 0.026 0.000 0.921 1012 L CB 0.149 42.224 42.059 0.026 0.000 1.180 1012 L HN 0.633 nan 8.230 nan 0.000 0.487 1013 V N -2.429 117.494 119.914 0.016 0.000 3.324 1013 V HA 0.099 4.221 4.120 0.003 0.000 0.192 1013 V C 1.554 177.645 176.094 -0.006 0.000 1.223 1013 V CA -0.121 62.179 62.300 -0.000 0.000 1.400 1013 V CB -0.801 31.020 31.823 -0.004 0.000 1.277 1013 V HN 0.330 nan 8.190 nan 0.000 0.486 1014 M N 0.466 120.062 119.600 -0.008 0.000 1.666 1014 M HA 0.022 4.504 4.480 0.003 0.000 0.078 1014 M C 0.702 176.996 176.300 -0.010 0.000 0.978 1014 M CA 0.622 55.914 55.300 -0.013 0.000 0.301 1014 M CB -0.566 32.026 32.600 -0.013 0.000 0.587 1014 M HN 0.523 nan 8.290 nan 0.000 0.170 1024 T N -1.223 113.035 114.554 -0.495 0.000 2.906 1024 T HA 0.738 5.090 4.350 0.003 0.000 0.295 1024 T C -0.947 173.631 174.700 -0.203 0.000 1.061 1024 T CA -0.578 61.328 62.100 -0.325 0.000 1.000 1024 T CB 2.902 71.604 68.868 -0.277 0.000 1.103 1024 T HN 0.189 nan 8.240 nan 0.000 0.486 1025 Q N 0.379 120.094 119.800 -0.141 0.000 2.353 1025 Q HA 0.562 4.904 4.340 0.003 0.000 0.268 1025 Q C 0.210 176.180 176.000 -0.051 0.000 1.045 1025 Q CA -0.017 55.732 55.803 -0.091 0.000 0.811 1025 Q CB 1.378 30.066 28.738 -0.083 0.000 1.305 1025 Q HN 1.479 nan 8.270 nan 0.000 0.447 1026 G N 1.476 110.263 108.800 -0.021 0.000 2.846 1026 G HA2 -0.175 3.787 3.960 0.003 0.000 0.660 1026 G HA3 -0.175 3.787 3.960 0.003 0.000 0.660 1026 G C -0.850 174.062 174.900 0.021 0.000 1.464 1026 G CA -0.119 44.995 45.100 0.023 0.000 0.891 1026 G HN 0.705 nan 8.290 nan 0.000 0.552 1027 S N -0.968 114.763 115.700 0.051 0.000 2.706 1027 S HA 0.568 5.040 4.470 0.003 0.000 0.270 1027 S C -0.724 173.880 174.600 0.007 0.000 1.163 1027 S CA -0.063 58.158 58.200 0.035 0.000 1.042 1027 S CB 1.529 64.755 63.200 0.042 0.000 1.079 1027 S HN 1.594 nan 8.310 nan 0.000 0.474 1028 V N 6.479 126.380 119.914 -0.022 0.000 2.409 1028 V HA 0.530 4.652 4.120 0.003 0.000 0.291 1028 V C -0.281 175.876 176.094 0.104 0.000 1.020 1028 V CA -0.554 61.705 62.300 -0.069 0.000 0.848 1028 V CB 1.428 33.110 31.823 -0.234 0.000 0.990 1028 V HN 0.838 nan 8.190 nan 0.000 0.430 1029 L N 6.181 127.465 121.223 0.101 0.000 2.325 1029 L HA 0.681 5.023 4.340 0.003 0.000 0.279 1029 L C -0.518 176.477 176.870 0.208 0.000 1.054 1029 L CA -0.351 54.535 54.840 0.076 0.000 0.804 1029 L CB 1.282 43.347 42.059 0.010 0.000 1.200 1029 L HN 0.717 nan 8.230 nan 0.000 0.436 1030 F N 0.009 119.983 119.950 0.040 0.000 2.599 1030 F HA 0.893 5.422 4.527 0.003 0.000 0.311 1030 F C -0.124 175.612 175.800 -0.107 0.000 1.076 1030 F CA -1.002 56.957 58.000 -0.069 0.000 0.937 1030 F CB 1.606 40.512 39.000 -0.157 0.000 1.282 1030 F HN 0.348 nan 8.300 nan 0.000 0.460 1031 G N 0.828 109.668 108.800 0.066 0.000 2.544 1031 G HA2 0.557 4.519 3.960 0.003 0.000 0.313 1031 G HA3 0.557 4.519 3.960 0.003 0.000 0.313 1031 G C -1.160 173.766 174.900 0.044 0.000 1.316 1031 G CA -0.587 44.510 45.100 -0.005 0.000 0.944 1031 G HN 1.030 nan 8.290 nan 0.000 0.489 1032 T N -1.197 113.396 114.554 0.064 0.000 2.940 1032 T HA 0.388 4.740 4.350 0.003 0.000 0.288 1032 T C 1.011 175.761 174.700 0.083 0.000 1.045 1032 T CA -0.623 61.542 62.100 0.108 0.000 1.018 1032 T CB 1.660 70.618 68.868 0.149 0.000 1.151 1032 T HN 0.250 nan 8.240 nan 0.000 0.529 1033 V N 1.964 121.956 119.914 0.131 0.000 3.383 1033 V HA 0.010 4.132 4.120 0.003 0.000 0.272 1033 V C 1.539 177.650 176.094 0.028 0.000 1.181 1033 V CA 1.269 63.616 62.300 0.078 0.000 1.171 1033 V CB -1.140 30.732 31.823 0.082 0.000 0.800 1033 V HN 0.784 nan 8.190 nan 0.000 0.515 1034 N N -0.640 118.078 118.700 0.030 0.000 2.210 1034 N HA 0.214 4.956 4.740 0.003 0.000 0.203 1034 N C 1.363 176.873 175.510 0.000 0.000 1.175 1034 N CA 0.993 54.048 53.050 0.008 0.000 0.894 1034 N CB 1.563 40.055 38.487 0.008 0.000 1.041 1034 N HN 0.399 nan 8.380 nan 0.000 0.506 1035 G N 0.079 108.878 108.800 -0.001 0.000 2.192 1035 G HA2 -0.203 3.759 3.960 0.003 0.000 0.193 1035 G HA3 -0.203 3.759 3.960 0.003 0.000 0.193 1035 G C 0.091 174.977 174.900 -0.023 0.000 0.999 1035 G CA -0.156 44.933 45.100 -0.018 0.000 0.659 1035 G HN 0.187 nan 8.290 nan 0.000 0.503 1036 M N 1.857 121.453 119.600 -0.007 0.000 2.246 1036 M HA 0.458 4.940 4.480 0.003 0.000 0.350 1036 M C -0.155 176.098 176.300 -0.079 0.000 1.406 1036 M CA 0.328 55.617 55.300 -0.019 0.000 1.089 1036 M CB -0.062 32.559 32.600 0.035 0.000 1.782 1036 M HN 0.215 nan 8.290 nan 0.000 0.457 1037 I N 4.844 125.322 120.570 -0.153 0.000 2.339 1037 I HA 0.446 4.618 4.170 0.003 0.000 0.290 1037 I C 0.636 176.461 176.117 -0.487 0.000 0.994 1037 I CA -0.567 60.558 61.300 -0.291 0.000 1.191 1037 I CB 1.660 39.545 38.000 -0.192 0.000 1.343 1037 I HN 0.753 nan 8.210 nan 0.000 0.458 1038 G N 5.694 113.817 108.800 -1.129 0.000 2.887 1038 G HA2 0.760 4.722 3.960 0.003 0.000 0.277 1038 G HA3 0.760 4.722 3.960 0.003 0.000 0.277 1038 G C -1.611 172.701 174.900 -0.979 0.000 1.346 1038 G CA -0.481 43.854 45.100 -1.274 0.000 1.058 1038 G HN 0.386 nan 8.290 nan 0.000 0.535 1039 L N -0.308 120.697 121.223 -0.364 0.000 2.470 1039 L HA 0.676 5.018 4.340 0.003 0.000 0.268 1039 L C -1.130 175.873 176.870 0.221 0.000 0.964 1039 L CA -0.708 54.126 54.840 -0.009 0.000 0.839 1039 L CB 2.129 44.169 42.059 -0.032 0.000 1.276 1039 L HN 0.327 nan 8.230 nan 0.000 0.403 1040 V N 4.339 124.405 119.914 0.253 0.000 2.417 1040 V HA 0.746 4.868 4.120 0.003 0.000 0.291 1040 V C 0.100 176.242 176.094 0.081 0.000 1.024 1040 V CA -0.159 62.242 62.300 0.169 0.000 0.861 1040 V CB 1.677 33.570 31.823 0.117 0.000 0.985 1040 V HN 0.942 nan 8.190 nan 0.000 0.436 1041 T N 2.646 117.258 114.554 0.097 0.000 2.926 1041 T HA 0.548 4.900 4.350 0.003 0.000 0.289 1041 T C -0.238 174.464 174.700 0.003 0.000 1.054 1041 T CA -0.562 61.564 62.100 0.042 0.000 1.015 1041 T CB 1.919 70.811 68.868 0.041 0.000 1.167 1041 T HN 0.568 nan 8.240 nan 0.000 0.526 1042 S N 0.515 116.195 115.700 -0.033 0.000 2.638 1042 S HA 0.789 5.261 4.470 0.003 0.000 0.298 1042 S C -0.834 173.748 174.600 -0.031 0.000 1.111 1042 S CA -0.719 57.457 58.200 -0.041 0.000 1.027 1042 S CB 0.700 63.864 63.200 -0.060 0.000 1.064 1042 S HN 0.416 nan 8.310 nan 0.000 0.525 1043 L N 1.265 122.507 121.223 0.032 0.000 2.350 1043 L HA 0.542 4.884 4.340 0.003 0.000 0.260 1043 L C 0.102 177.007 176.870 0.058 0.000 1.015 1043 L CA -0.791 54.079 54.840 0.050 0.000 0.821 1043 L CB 2.223 44.400 42.059 0.196 0.000 1.370 1043 L HN 0.767 nan 8.230 nan 0.000 0.416 1044 S N -0.312 115.393 115.700 0.008 0.000 2.564 1044 S HA 0.064 4.536 4.470 0.003 0.000 0.278 1044 S C 1.000 175.566 174.600 -0.057 0.000 1.333 1044 S CA -0.437 57.775 58.200 0.019 0.000 1.048 1044 S CB 1.136 64.355 63.200 0.031 0.000 0.900 1044 S HN 0.734 nan 8.310 nan 0.000 0.505 1045 E N 3.175 123.237 120.200 -0.229 0.000 2.171 1045 E HA -0.249 4.103 4.350 0.003 0.000 0.197 1045 E C 1.624 178.056 176.600 -0.279 0.000 0.997 1045 E CA 2.093 58.086 56.400 -0.678 0.000 0.810 1045 E CB -1.236 28.267 29.700 -0.327 0.000 0.738 1045 E HN 0.781 nan 8.360 nan 0.000 0.467 1046 S N -0.210 115.457 115.700 -0.055 0.000 2.362 1046 S HA -0.095 4.377 4.470 0.003 0.000 0.221 1046 S C 1.881 176.495 174.600 0.023 0.000 1.032 1046 S CA 0.616 58.818 58.200 0.004 0.000 0.973 1046 S CB -1.024 62.205 63.200 0.049 0.000 0.849 1046 S HN 0.340 nan 8.310 nan 0.000 0.465 1047 W N 1.459 122.702 121.300 -0.095 0.000 2.321 1047 W HA -0.081 4.581 4.660 0.004 0.000 0.306 1047 W C 2.427 178.907 176.519 -0.065 0.000 1.217 1047 W CA 1.048 58.345 57.345 -0.080 0.000 1.257 1047 W CB -1.087 28.327 29.460 -0.076 0.000 1.145 1047 W HN 0.416 nan 8.180 nan 0.000 0.509 1048 Y N 1.602 121.899 120.300 -0.005 0.000 2.097 1048 Y HA -0.345 4.207 4.550 0.004 0.000 0.282 1048 Y C 2.324 178.174 175.900 -0.083 0.000 1.152 1048 Y CA 2.419 60.474 58.100 -0.076 0.000 1.136 1048 Y CB -0.919 37.333 38.460 -0.348 0.000 0.975 1048 Y HN -0.144 nan 8.280 nan 0.000 0.498 1049 N N 0.672 119.364 118.700 -0.013 0.000 2.069 1049 N HA -0.237 4.505 4.740 0.003 0.000 0.191 1049 N C 2.118 177.538 175.510 -0.150 0.000 1.031 1049 N CA 1.543 54.556 53.050 -0.062 0.000 0.852 1049 N CB -0.771 37.717 38.487 0.001 0.000 1.018 1049 N HN 0.473 nan 8.380 nan 0.000 0.423 1050 L N 0.990 122.104 121.223 -0.181 0.000 1.990 1050 L HA -0.186 4.156 4.340 0.003 0.000 0.213 1050 L C 2.136 178.867 176.870 -0.231 0.000 1.072 1050 L CA 1.307 56.003 54.840 -0.240 0.000 0.755 1050 L CB -0.248 41.573 42.059 -0.396 0.000 0.889 1050 L HN 0.149 nan 8.230 nan 0.000 0.432 1051 L N -0.999 120.083 121.223 -0.235 0.000 2.072 1051 L HA -0.248 4.094 4.340 0.003 0.000 0.205 1051 L C 2.494 179.245 176.870 -0.198 0.000 1.079 1051 L CA 0.827 55.555 54.840 -0.186 0.000 0.752 1051 L CB -0.405 41.606 42.059 -0.081 0.000 0.906 1051 L HN 0.339 nan 8.230 nan 0.000 0.436 1052 L N 0.106 121.134 121.223 -0.325 0.000 1.990 1052 L HA -0.331 4.011 4.340 0.003 0.000 0.213 1052 L C 2.159 178.947 176.870 -0.136 0.000 1.072 1052 L CA 2.059 56.728 54.840 -0.284 0.000 0.755 1052 L CB -0.208 41.631 42.059 -0.367 0.000 0.889 1052 L HN 0.348 nan 8.230 nan 0.000 0.432 1053 D N -0.479 119.848 120.400 -0.122 0.000 2.088 1053 D HA -0.334 4.308 4.640 0.003 0.000 0.191 1053 D C 2.249 178.510 176.300 -0.064 0.000 0.992 1053 D CA 2.166 56.122 54.000 -0.073 0.000 0.831 1053 D CB -0.141 40.614 40.800 -0.074 0.000 0.973 1053 D HN 0.289 nan 8.370 nan 0.000 0.447 1054 M N 0.025 119.574 119.600 -0.085 0.000 2.260 1054 M HA -0.231 4.251 4.480 0.003 0.000 0.261 1054 M C 2.048 178.328 176.300 -0.034 0.000 1.066 1054 M CA 1.387 56.651 55.300 -0.060 0.000 1.082 1054 M CB -0.031 32.501 32.600 -0.113 0.000 1.388 1054 M HN 0.131 nan 8.290 nan 0.000 0.419 1055 Q N 0.282 120.045 119.800 -0.061 0.000 2.050 1055 Q HA -0.207 4.135 4.340 0.003 0.000 0.202 1055 Q C 1.460 177.416 176.000 -0.073 0.000 0.980 1055 Q CA 2.338 58.096 55.803 -0.074 0.000 0.840 1055 Q CB -0.117 28.572 28.738 -0.083 0.000 0.898 1055 Q HN 0.739 nan 8.270 nan 0.000 0.424 1056 N N -0.568 118.107 118.700 -0.042 0.000 2.171 1056 N HA -0.090 4.652 4.740 0.003 0.000 0.184 1056 N C 1.729 177.241 175.510 0.003 0.000 1.021 1056 N CA 0.582 53.624 53.050 -0.014 0.000 0.854 1056 N CB 0.040 38.529 38.487 0.004 0.000 0.994 1056 N HN 0.115 nan 8.380 nan 0.000 0.426 1057 R N 1.026 121.531 120.500 0.008 0.000 2.096 1057 R HA -0.119 4.223 4.340 0.003 0.000 0.240 1057 R C 2.150 178.472 176.300 0.036 0.000 1.139 1057 R CA 0.998 57.113 56.100 0.025 0.000 0.952 1057 R CB -0.946 29.374 30.300 0.034 0.000 0.854 1057 R HN 0.285 nan 8.270 nan 0.000 0.436 1058 L N 1.295 122.545 121.223 0.045 0.000 2.127 1058 L HA -0.192 4.150 4.340 0.003 0.000 0.211 1058 L C 2.027 178.922 176.870 0.042 0.000 1.089 1058 L CA 1.047 55.924 54.840 0.062 0.000 0.757 1058 L CB -0.351 41.758 42.059 0.082 0.000 0.899 1058 L HN 0.252 nan 8.230 nan 0.000 0.434 1059 N N -0.349 118.364 118.700 0.022 0.000 2.250 1059 N HA -0.129 4.613 4.740 0.003 0.000 0.181 1059 N C 1.701 177.249 175.510 0.064 0.000 1.017 1059 N CA 0.844 53.925 53.050 0.052 0.000 0.866 1059 N CB 0.012 38.521 38.487 0.037 0.000 0.985 1059 N HN 0.335 nan 8.380 nan 0.000 0.429 1060 K N 0.750 121.177 120.400 0.045 0.000 2.032 1060 K HA -0.066 4.256 4.320 0.003 0.000 0.209 1060 K C 1.992 178.608 176.600 0.027 0.000 1.048 1060 K CA 0.977 57.286 56.287 0.037 0.000 0.927 1060 K CB -0.214 32.304 32.500 0.030 0.000 0.712 1060 K HN -0.022 nan 8.250 nan 0.000 0.441 1061 V N 1.776 121.702 119.914 0.021 0.000 2.358 1061 V HA -0.143 3.979 4.120 0.003 0.000 0.246 1061 V C 1.388 177.483 176.094 0.001 0.000 1.047 1061 V CA 1.124 63.426 62.300 0.003 0.000 1.035 1061 V CB -0.270 31.547 31.823 -0.010 0.000 0.658 1061 V HN 0.199 nan 8.190 nan 0.000 0.452 1062 I N 2.570 123.152 120.570 0.020 0.000 2.325 1062 I HA 0.185 4.357 4.170 0.003 0.000 0.291 1062 I C 0.354 176.481 176.117 0.017 0.000 1.019 1062 I CA -0.536 60.775 61.300 0.019 0.000 1.302 1062 I CB 0.867 38.898 38.000 0.051 0.000 1.401 1062 I HN 0.188 nan 8.210 nan 0.000 0.485 1063 K N 5.284 125.673 120.400 -0.019 0.000 2.402 1063 K HA 0.152 4.474 4.320 0.003 0.000 0.285 1063 K C -0.076 176.470 176.600 -0.091 0.000 1.054 1063 K CA -0.139 56.120 56.287 -0.045 0.000 1.001 1063 K CB 0.736 33.203 32.500 -0.055 0.000 0.946 1063 K HN 0.615 nan 8.250 nan 0.000 0.473 1064 S N 2.366 117.998 115.700 -0.113 0.000 2.586 1064 S HA 0.190 4.662 4.470 0.003 0.000 0.274 1064 S C 1.206 175.648 174.600 -0.264 0.000 1.281 1064 S CA -0.858 57.176 58.200 -0.278 0.000 1.035 1064 S CB 1.218 64.295 63.200 -0.205 0.000 0.962 1064 S HN 0.353 nan 8.310 nan 0.000 0.512 1065 V N 3.626 123.341 119.914 -0.333 0.000 2.259 1065 V HA -0.013 4.109 4.120 0.003 0.000 0.229 1065 V C 2.494 178.471 176.094 -0.195 0.000 1.012 1065 V CA 2.150 64.314 62.300 -0.227 0.000 0.995 1065 V CB -1.449 30.245 31.823 -0.216 0.000 0.645 1065 V HN 1.090 nan 8.190 nan 0.000 0.468 1066 G N -0.084 108.600 108.800 -0.193 0.000 3.229 1066 G HA2 -0.054 3.908 3.960 0.003 0.000 0.214 1066 G HA3 -0.054 3.908 3.960 0.003 0.000 0.214 1066 G C 0.642 175.382 174.900 -0.267 0.000 1.256 1066 G CA 0.094 45.096 45.100 -0.164 0.000 1.042 1066 G HN 0.529 nan 8.290 nan 0.000 0.497 1067 K N -0.836 119.390 120.400 -0.289 0.000 3.117 1067 K HA -0.174 4.148 4.320 0.003 0.000 0.269 1067 K C 0.386 176.852 176.600 -0.224 0.000 1.098 1067 K CA 0.535 56.609 56.287 -0.356 0.000 0.785 1067 K CB -1.966 30.044 32.500 -0.818 0.000 1.242 1067 K HN 0.485 nan 8.250 nan 0.000 0.491 1068 I N 1.370 121.882 120.570 -0.097 0.000 2.529 1068 I HA 0.002 4.174 4.170 0.003 0.000 0.284 1068 I C 1.081 177.331 176.117 0.221 0.000 1.082 1068 I CA -0.333 61.001 61.300 0.057 0.000 1.406 1068 I CB 0.682 38.739 38.000 0.095 0.000 1.405 1068 I HN 0.040 nan 8.210 nan 0.000 0.548 1069 E N 4.967 125.303 120.200 0.227 0.000 2.257 1069 E HA -0.036 4.316 4.350 0.003 0.000 0.278 1069 E C 0.913 177.739 176.600 0.377 0.000 1.049 1069 E CA 0.236 56.812 56.400 0.293 0.000 0.876 1069 E CB 0.470 30.304 29.700 0.223 0.000 1.035 1069 E HN 0.466 nan 8.360 nan 0.000 0.419 1070 H N 3.090 122.314 119.070 0.256 0.000 2.292 1070 H HA -0.256 4.302 4.556 0.003 0.000 0.292 1070 H C 1.665 176.997 175.328 0.007 0.000 1.100 1070 H CA 2.963 58.969 56.048 -0.070 0.000 1.238 1070 H CB 0.147 29.857 29.762 -0.087 0.000 1.355 1070 H HN 0.569 nan 8.280 nan 0.000 0.484 1071 S N -0.897 114.950 115.700 0.244 0.000 2.453 1071 S HA -0.155 4.317 4.470 0.003 0.000 0.231 1071 S C 2.073 176.733 174.600 0.100 0.000 1.005 1071 S CA 0.786 59.080 58.200 0.156 0.000 0.949 1071 S CB -0.711 62.605 63.200 0.192 0.000 0.774 1071 S HN 0.492 nan 8.310 nan 0.000 0.510 1072 F N 2.053 122.030 119.950 0.044 0.000 2.146 1072 F HA 0.042 4.571 4.527 0.004 0.000 0.298 1072 F C 2.180 177.974 175.800 -0.010 0.000 1.096 1072 F CA 1.212 59.228 58.000 0.028 0.000 1.275 1072 F CB -0.453 38.587 39.000 0.067 0.000 1.008 1072 F HN 0.392 nan 8.300 nan 0.000 0.480 1073 W N 1.495 122.694 121.300 -0.168 0.000 2.354 1073 W HA -0.203 4.460 4.660 0.004 0.000 0.315 1073 W C 1.341 177.568 176.519 -0.486 0.000 1.206 1073 W CA 0.843 57.985 57.345 -0.339 0.000 1.290 1073 W CB -0.297 28.977 29.460 -0.310 0.000 1.152 1073 W HN -0.216 nan 8.180 nan 0.000 0.489 1074 R N 1.491 121.561 120.500 -0.715 0.000 2.340 1074 R HA 0.089 4.431 4.340 0.003 0.000 0.215 1074 R C 0.041 175.964 176.300 -0.628 0.000 1.017 1074 R CA 0.116 55.646 56.100 -0.950 0.000 1.111 1074 R CB -0.832 28.986 30.300 -0.803 0.000 1.049 1074 R HN -0.100 nan 8.270 nan 0.000 0.490 1075 S N 1.020 116.420 115.700 -0.501 0.000 2.465 1075 S HA 0.168 4.640 4.470 0.003 0.000 0.279 1075 S C -0.294 174.195 174.600 -0.185 0.000 1.201 1075 S CA -0.628 57.405 58.200 -0.279 0.000 1.053 1075 S CB 0.362 63.391 63.200 -0.285 0.000 0.953 1075 S HN 0.288 nan 8.310 nan 0.000 0.488 1076 F N 4.963 124.822 119.950 -0.151 0.000 2.593 1076 F HA 0.088 4.617 4.527 0.003 0.000 0.393 1076 F C 0.320 176.110 175.800 -0.016 0.000 1.037 1076 F CA 0.743 58.706 58.000 -0.063 0.000 1.195 1076 F CB 0.166 39.144 39.000 -0.037 0.000 1.034 1076 F HN 0.710 nan 8.300 nan 0.000 0.552 1077 H N 3.669 122.512 119.070 -0.379 0.000 2.947 1077 H HA 0.503 5.061 4.556 0.003 0.000 0.354 1077 H C -1.140 174.075 175.328 -0.187 0.000 1.085 1077 H CA -0.136 55.799 56.048 -0.189 0.000 1.253 1077 H CB 1.578 31.162 29.762 -0.296 0.000 1.757 1077 H HN 0.657 nan 8.280 nan 0.000 0.523 1078 T N 1.171 115.216 114.554 -0.849 0.000 2.865 1078 T HA 0.223 4.575 4.350 0.003 0.000 0.294 1078 T C 0.113 174.409 174.700 -0.672 0.000 1.119 1078 T CA -1.048 60.688 62.100 -0.605 0.000 1.007 1078 T CB 1.717 70.461 68.868 -0.208 0.000 1.225 1078 T HN 0.548 nan 8.240 nan 0.000 0.515 1079 E N 0.223 120.253 120.200 -0.285 0.000 2.528 1079 E HA 0.199 4.551 4.350 0.003 0.000 0.237 1079 E C 1.104 177.655 176.600 -0.082 0.000 1.408 1079 E CA 0.018 56.353 56.400 -0.108 0.000 1.571 1079 E CB -0.490 29.224 29.700 0.023 0.000 1.395 1079 E HN 0.664 nan 8.360 nan 0.000 0.438 1080 R N -0.632 119.803 120.500 -0.109 0.000 2.599 1080 R HA 0.157 4.499 4.340 0.003 0.000 0.248 1080 R C -0.254 176.025 176.300 -0.035 0.000 0.970 1080 R CA -0.273 55.799 56.100 -0.046 0.000 1.188 1080 R CB 0.178 30.467 30.300 -0.018 0.000 1.736 1080 R HN 0.031 nan 8.270 nan 0.000 0.504 1081 K N 0.549 120.911 120.400 -0.064 0.000 2.587 1081 K HA 0.389 4.711 4.320 0.003 0.000 0.276 1081 K C -1.803 174.806 176.600 0.015 0.000 0.956 1081 K CA -0.731 55.553 56.287 -0.004 0.000 0.857 1081 K CB 2.342 34.856 32.500 0.023 0.000 1.431 1081 K HN -0.067 nan 8.250 nan 0.000 0.420 1082 T N 2.109 116.713 114.554 0.082 0.000 3.066 1082 T HA 0.295 4.647 4.350 0.003 0.000 0.318 1082 T C -1.446 173.318 174.700 0.108 0.000 0.979 1082 T CA -0.781 61.403 62.100 0.140 0.000 1.025 1082 T CB 1.064 70.046 68.868 0.191 0.000 1.002 1082 T HN 0.490 nan 8.240 nan 0.000 0.453 1083 E N 2.990 123.266 120.200 0.127 0.000 2.244 1083 E HA 0.514 4.865 4.350 0.003 0.000 0.266 1083 E C -2.644 174.009 176.600 0.088 0.000 0.914 1083 E CA -2.609 53.835 56.400 0.074 0.000 0.794 1083 E CB 1.645 31.346 29.700 0.001 0.000 1.210 1083 E HN 0.249 nan 8.360 nan 0.000 0.414 1084 P HA 0.152 nan 4.420 nan 0.000 0.274 1084 P C -0.916 176.446 177.300 0.103 0.000 1.246 1084 P CA -0.335 62.809 63.100 0.073 0.000 0.795 1084 P CB 0.499 32.249 31.700 0.085 0.000 1.006 1085 A N 0.978 123.864 122.820 0.110 0.000 2.401 1085 A HA 0.555 4.877 4.320 0.003 0.000 0.259 1085 A C 0.315 178.057 177.584 0.263 0.000 1.103 1085 A CA 0.217 52.366 52.037 0.187 0.000 0.789 1085 A CB -0.566 18.535 19.000 0.169 0.000 1.035 1085 A HN 0.612 nan 8.150 nan 0.000 0.491 1086 T N -1.051 113.694 114.554 0.318 0.000 2.907 1086 T HA 0.596 4.948 4.350 0.003 0.000 0.292 1086 T C 0.707 175.677 174.700 0.449 0.000 1.043 1086 T CA 0.242 62.541 62.100 0.333 0.000 1.003 1086 T CB 1.352 70.339 68.868 0.197 0.000 1.084 1086 T HN 2.412 nan 8.240 nan 0.000 0.483 1087 G N 0.820 109.870 108.800 0.417 0.000 2.203 1087 G HA2 -0.193 3.769 3.960 0.003 0.000 0.263 1087 G HA3 -0.193 3.769 3.960 0.003 0.000 0.263 1087 G C -0.257 174.771 174.900 0.213 0.000 1.012 1087 G CA 0.363 45.581 45.100 0.195 0.000 0.749 1087 G HN 0.797 nan 8.290 nan 0.000 0.512 1088 F N -1.042 119.137 119.950 0.381 0.000 2.578 1088 F HA 0.716 5.246 4.527 0.004 0.000 0.311 1088 F C 0.158 176.064 175.800 0.176 0.000 1.094 1088 F CA -1.078 57.029 58.000 0.178 0.000 0.923 1088 F CB 1.854 40.849 39.000 -0.009 0.000 1.230 1088 F HN -0.039 nan 8.300 nan 0.000 0.450 1089 I N 2.724 123.390 120.570 0.160 0.000 2.468 1089 I HA 0.228 4.400 4.170 0.003 0.000 0.285 1089 I C -1.373 174.655 176.117 -0.148 0.000 1.039 1089 I CA -0.952 60.389 61.300 0.069 0.000 1.074 1089 I CB 1.793 39.856 38.000 0.105 0.000 1.228 1089 I HN 0.447 nan 8.210 nan 0.000 0.436 1090 D N 5.446 125.882 120.400 0.060 0.000 2.352 1090 D HA 0.119 4.761 4.640 0.003 0.000 0.245 1090 D C 1.276 177.499 176.300 -0.128 0.000 1.224 1090 D CA -0.609 53.375 54.000 -0.027 0.000 0.879 1090 D CB 1.401 42.357 40.800 0.260 0.000 1.057 1090 D HN 0.670 nan 8.370 nan 0.000 0.491 1091 G N 2.586 111.082 108.800 -0.506 0.000 2.485 1091 G HA2 -0.339 3.623 3.960 0.003 0.000 0.221 1091 G HA3 -0.339 3.623 3.960 0.003 0.000 0.221 1091 G C 1.152 176.073 174.900 0.036 0.000 1.115 1091 G CA 0.365 45.337 45.100 -0.213 0.000 0.751 1091 G HN 0.403 nan 8.290 nan 0.000 0.567 1092 D N -0.296 120.120 120.400 0.028 0.000 2.149 1092 D HA -0.126 4.516 4.640 0.003 0.000 0.194 1092 D C 2.239 178.645 176.300 0.176 0.000 1.001 1092 D CA 0.472 54.546 54.000 0.123 0.000 0.849 1092 D CB -0.088 40.810 40.800 0.165 0.000 0.939 1092 D HN 0.249 nan 8.370 nan 0.000 0.449 1093 L N 0.080 121.417 121.223 0.190 0.000 2.102 1093 L HA -0.068 4.274 4.340 0.003 0.000 0.202 1093 L C 1.986 178.949 176.870 0.156 0.000 1.076 1093 L CA 0.716 55.676 54.840 0.200 0.000 0.761 1093 L CB -0.436 41.734 42.059 0.184 0.000 0.921 1093 L HN -0.020 nan 8.230 nan 0.000 0.444 1094 I N 1.006 121.653 120.570 0.128 0.000 2.053 1094 I HA -0.369 3.803 4.170 0.003 0.000 0.236 1094 I C 2.496 178.723 176.117 0.183 0.000 1.038 1094 I CA 1.687 63.068 61.300 0.135 0.000 1.304 1094 I CB -1.346 36.753 38.000 0.165 0.000 1.023 1094 I HN 0.362 nan 8.210 nan 0.000 0.395 1095 E N 0.381 120.695 120.200 0.189 0.000 2.169 1095 E HA -0.287 4.065 4.350 0.003 0.000 0.202 1095 E C 2.255 178.974 176.600 0.199 0.000 1.016 1095 E CA 1.809 58.326 56.400 0.194 0.000 0.817 1095 E CB -0.221 29.592 29.700 0.190 0.000 0.736 1095 E HN 0.381 nan 8.360 nan 0.000 0.462 1096 S N 0.107 115.919 115.700 0.187 0.000 2.389 1096 S HA -0.274 4.198 4.470 0.003 0.000 0.231 1096 S C 1.570 176.269 174.600 0.165 0.000 1.052 1096 S CA 1.514 59.810 58.200 0.160 0.000 1.053 1096 S CB -0.499 62.801 63.200 0.167 0.000 0.886 1096 S HN 0.396 nan 8.310 nan 0.000 0.456 1097 F N 1.838 121.812 119.950 0.041 0.000 2.060 1097 F HA -0.306 4.224 4.527 0.004 0.000 0.293 1097 F C 1.825 177.629 175.800 0.008 0.000 1.096 1097 F CA 2.400 60.412 58.000 0.020 0.000 1.241 1097 F CB -0.599 38.411 39.000 0.017 0.000 0.959 1097 F HN 0.252 nan 8.300 nan 0.000 0.499 1098 L N -0.289 121.093 121.223 0.266 0.000 2.129 1098 L HA -0.259 4.083 4.340 0.003 0.000 0.212 1098 L C 1.662 178.520 176.870 -0.021 0.000 1.087 1098 L CA 1.454 56.365 54.840 0.118 0.000 0.757 1098 L CB -0.893 41.243 42.059 0.129 0.000 0.896 1098 L HN 0.183 nan 8.230 nan 0.000 0.434 1099 D N 0.217 120.606 120.400 -0.018 0.000 2.378 1099 D HA 0.099 4.741 4.640 0.003 0.000 0.227 1099 D C 0.803 177.046 176.300 -0.095 0.000 1.012 1099 D CA 0.634 54.606 54.000 -0.047 0.000 0.905 1099 D CB 0.096 40.884 40.800 -0.020 0.000 0.895 1099 D HN 0.318 nan 8.370 nan 0.000 0.532 1100 I N 1.044 121.514 120.570 -0.166 0.000 2.532 1100 I HA 0.000 4.172 4.170 0.003 0.000 0.292 1100 I C 0.875 176.871 176.117 -0.201 0.000 1.014 1100 I CA -0.633 60.542 61.300 -0.209 0.000 1.340 1100 I CB 1.220 39.024 38.000 -0.327 0.000 1.422 1100 I HN -0.156 nan 8.210 nan 0.000 0.528 1101 S N 4.830 120.438 115.700 -0.153 0.000 2.562 1101 S HA 0.132 4.604 4.470 0.003 0.000 0.281 1101 S C 1.043 175.560 174.600 -0.137 0.000 1.333 1101 S CA -0.526 57.599 58.200 -0.123 0.000 1.052 1101 S CB 1.081 64.229 63.200 -0.087 0.000 0.884 1101 S HN 0.713 nan 8.310 nan 0.000 0.506 1102 R N 2.554 122.990 120.500 -0.106 0.000 2.117 1102 R HA -0.053 4.289 4.340 0.003 0.000 0.243 1102 R C -0.823 175.438 176.300 -0.066 0.000 1.143 1102 R CA 1.635 57.684 56.100 -0.085 0.000 0.968 1102 R CB -1.354 28.922 30.300 -0.041 0.000 0.863 1102 R HN 0.635 nan 8.270 nan 0.000 0.444 1103 P HA -0.219 nan 4.420 nan 0.000 0.210 1103 P C 0.246 177.513 177.300 -0.055 0.000 1.185 1103 P CA 1.593 64.668 63.100 -0.043 0.000 0.924 1103 P CB -0.185 31.493 31.700 -0.036 0.000 0.786 1104 K N -0.992 119.363 120.400 -0.074 0.000 2.360 1104 K HA -0.093 4.229 4.320 0.003 0.000 0.201 1104 K C 2.198 178.729 176.600 -0.116 0.000 1.046 1104 K CA 1.008 57.245 56.287 -0.082 0.000 0.940 1104 K CB -0.455 31.992 32.500 -0.089 0.000 0.748 1104 K HN 0.247 nan 8.250 nan 0.000 0.465 1105 M N 0.313 119.818 119.600 -0.158 0.000 2.334 1105 M HA -0.108 4.374 4.480 0.003 0.000 0.266 1105 M C 1.904 178.171 176.300 -0.055 0.000 1.082 1105 M CA 1.017 56.184 55.300 -0.221 0.000 1.141 1105 M CB 0.285 32.704 32.600 -0.301 0.000 1.380 1105 M HN -0.009 nan 8.290 nan 0.000 0.440 1106 Q N 0.870 120.651 119.800 -0.032 0.000 2.046 1106 Q HA -0.184 4.158 4.340 0.003 0.000 0.200 1106 Q C 1.657 177.665 176.000 0.014 0.000 0.975 1106 Q CA 1.833 57.639 55.803 0.005 0.000 0.836 1106 Q CB -0.450 28.287 28.738 -0.000 0.000 0.896 1106 Q HN 0.661 nan 8.270 nan 0.000 0.428 1107 E N 0.225 120.425 120.200 -0.000 0.000 2.130 1107 E HA -0.155 4.197 4.350 0.003 0.000 0.196 1107 E C 1.949 178.563 176.600 0.023 0.000 0.998 1107 E CA 1.375 57.779 56.400 0.006 0.000 0.806 1107 E CB -0.256 29.442 29.700 -0.003 0.000 0.738 1107 E HN 0.093 nan 8.360 nan 0.000 0.459 1108 V N 1.382 121.320 119.914 0.040 0.000 2.944 1108 V HA -0.130 3.992 4.120 0.003 0.000 0.265 1108 V C 0.860 176.998 176.094 0.073 0.000 1.125 1108 V CA 0.898 63.249 62.300 0.085 0.000 1.145 1108 V CB -0.526 31.412 31.823 0.190 0.000 0.725 1108 V HN 0.019 nan 8.190 nan 0.000 0.510 1109 V N -1.540 118.407 119.914 0.054 0.000 2.735 1109 V HA 0.833 4.955 4.120 0.003 0.000 0.310 1109 V C 0.298 176.403 176.094 0.018 0.000 1.061 1109 V CA 0.283 62.602 62.300 0.032 0.000 0.913 1109 V CB 1.544 33.387 31.823 0.034 0.000 1.005 1109 V HN 0.081 nan 8.190 nan 0.000 0.428 1110 A N 3.341 126.166 122.820 0.010 0.000 2.692 1110 A HA 0.456 4.778 4.320 0.003 0.000 0.175 1110 A C 0.139 177.724 177.584 0.001 0.000 1.537 1110 A CA 0.369 52.410 52.037 0.006 0.000 1.134 1110 A CB 0.181 19.185 19.000 0.007 0.000 1.419 1110 A HN 0.967 nan 8.150 nan 0.000 0.514 1123 E N 0.986 121.168 120.200 -0.029 0.000 2.460 1123 E HA 0.805 5.157 4.350 0.003 0.000 0.277 1123 E C -1.650 174.928 176.600 -0.036 0.000 1.010 1123 E CA -1.088 55.295 56.400 -0.027 0.000 0.838 1123 E CB 2.684 32.370 29.700 -0.023 0.000 1.448 1123 E HN 0.748 nan 8.360 nan 0.000 0.462 1124 A N 0.599 123.401 122.820 -0.029 0.000 2.486 1124 A HA 0.745 5.067 4.320 0.003 0.000 0.300 1124 A C -1.038 176.534 177.584 -0.021 0.000 1.048 1124 A CA -0.368 51.651 52.037 -0.031 0.000 0.696 1124 A CB 2.019 21.006 19.000 -0.023 0.000 1.278 1124 A HN 0.430 nan 8.150 nan 0.000 0.405 1125 T N 0.035 114.576 114.554 -0.022 0.000 2.812 1125 T HA 0.650 5.002 4.350 0.003 0.000 0.294 1125 T C 0.811 175.516 174.700 0.009 0.000 1.159 1125 T CA 0.217 62.312 62.100 -0.008 0.000 1.008 1125 T CB 1.772 70.630 68.868 -0.016 0.000 1.289 1125 T HN 1.352 nan 8.240 nan 0.000 0.514 1126 A N 0.336 123.170 122.820 0.023 0.000 2.197 1126 A HA 0.295 4.617 4.320 0.003 0.000 0.210 1126 A C 0.863 178.493 177.584 0.076 0.000 1.180 1126 A CA 0.572 52.637 52.037 0.047 0.000 0.846 1126 A CB 0.069 19.092 19.000 0.037 0.000 0.884 1126 A HN 0.852 nan 8.150 nan 0.000 0.487 1127 D N -2.407 118.026 120.400 0.055 0.000 2.742 1127 D HA -0.030 4.612 4.640 0.003 0.000 0.302 1127 D C -0.176 176.137 176.300 0.021 0.000 1.588 1127 D CA -0.057 53.983 54.000 0.066 0.000 0.873 1127 D CB -0.727 40.109 40.800 0.061 0.000 1.418 1127 D HN 0.017 nan 8.370 nan 0.000 0.420 1128 D N 0.801 121.197 120.400 -0.008 0.000 2.178 1128 D HA -0.036 4.606 4.640 0.003 0.000 0.202 1128 D C 2.029 178.278 176.300 -0.085 0.000 0.974 1128 D CA 0.533 54.509 54.000 -0.040 0.000 0.841 1128 D CB 0.311 41.079 40.800 -0.054 0.000 0.953 1128 D HN 0.176 nan 8.370 nan 0.000 0.478 1129 L N 0.257 121.410 121.223 -0.117 0.000 2.068 1129 L HA -0.001 4.341 4.340 0.003 0.000 0.204 1129 L C 2.557 179.250 176.870 -0.295 0.000 1.076 1129 L CA 0.568 55.244 54.840 -0.273 0.000 0.753 1129 L CB -0.915 40.911 42.059 -0.388 0.000 0.910 1129 L HN 0.096 nan 8.230 nan 0.000 0.439 1130 I N 0.305 120.815 120.570 -0.100 0.000 2.285 1130 I HA -0.423 3.749 4.170 0.003 0.000 0.253 1130 I C 2.535 178.648 176.117 -0.008 0.000 1.104 1130 I CA 1.671 63.009 61.300 0.064 0.000 1.372 1130 I CB 0.075 38.172 38.000 0.162 0.000 1.057 1130 I HN 0.225 nan 8.210 nan 0.000 0.431 1131 K N -0.705 119.672 120.400 -0.037 0.000 2.211 1131 K HA -0.001 4.321 4.320 0.003 0.000 0.201 1131 K C 1.832 178.417 176.600 -0.026 0.000 1.052 1131 K CA 0.555 56.829 56.287 -0.021 0.000 0.973 1131 K CB 0.255 32.747 32.500 -0.013 0.000 0.766 1131 K HN 0.116 nan 8.250 nan 0.000 0.466 1132 V N 0.424 120.288 119.914 -0.084 0.000 2.295 1132 V HA -0.234 3.888 4.120 0.003 0.000 0.246 1132 V C 2.085 178.157 176.094 -0.037 0.000 1.049 1132 V CA 1.556 63.804 62.300 -0.086 0.000 1.024 1132 V CB -0.209 31.440 31.823 -0.290 0.000 0.648 1132 V HN 0.104 nan 8.190 nan 0.000 0.447 1133 V N -0.413 119.437 119.914 -0.106 0.000 2.358 1133 V HA -0.245 3.877 4.120 0.003 0.000 0.246 1133 V C 2.397 178.512 176.094 0.034 0.000 1.047 1133 V CA 1.962 64.233 62.300 -0.048 0.000 1.035 1133 V CB -0.551 31.198 31.823 -0.124 0.000 0.658 1133 V HN 0.603 nan 8.190 nan 0.000 0.452 1134 E N -0.234 119.982 120.200 0.027 0.000 2.033 1134 E HA -0.282 4.070 4.350 0.003 0.000 0.199 1134 E C 2.332 178.956 176.600 0.040 0.000 1.011 1134 E CA 1.575 57.998 56.400 0.038 0.000 0.815 1134 E CB -0.229 29.486 29.700 0.025 0.000 0.755 1134 E HN 0.548 nan 8.360 nan 0.000 0.451 1135 E N 0.267 120.493 120.200 0.044 0.000 2.233 1135 E HA -0.234 4.118 4.350 0.003 0.000 0.199 1135 E C 2.101 178.727 176.600 0.043 0.000 1.004 1135 E CA 0.901 57.330 56.400 0.048 0.000 0.819 1135 E CB -0.042 29.709 29.700 0.086 0.000 0.738 1135 E HN 0.283 nan 8.360 nan 0.000 0.478 1136 L N -0.102 121.162 121.223 0.068 0.000 2.102 1136 L HA -0.118 4.223 4.340 0.003 0.000 0.202 1136 L C 2.771 179.707 176.870 0.110 0.000 1.076 1136 L CA 1.442 56.318 54.840 0.059 0.000 0.761 1136 L CB -0.715 41.389 42.059 0.075 0.000 0.921 1136 L HN 0.176 nan 8.230 nan 0.000 0.444 1137 T N -1.905 112.725 114.554 0.127 0.000 2.792 1137 T HA -0.284 4.068 4.350 0.003 0.000 0.268 1137 T C 1.647 176.353 174.700 0.010 0.000 1.059 1137 T CA 1.228 63.408 62.100 0.135 0.000 1.136 1137 T CB -0.497 68.413 68.868 0.071 0.000 0.846 1137 T HN 0.299 nan 8.240 nan 0.000 0.489 1138 R N 0.337 120.839 120.500 0.003 0.000 2.423 1138 R HA 0.415 4.757 4.340 0.003 0.000 0.248 1138 R C 1.375 177.667 176.300 -0.013 0.000 1.019 1138 R CA -0.055 56.017 56.100 -0.046 0.000 1.119 1138 R CB -0.252 30.026 30.300 -0.037 0.000 1.176 1138 R HN 0.498 nan 8.270 nan 0.000 0.526 1139 I N 0.532 121.146 120.570 0.073 0.000 3.251 1139 I HA -0.053 4.119 4.170 0.003 0.000 0.277 1139 I C 0.939 177.151 176.117 0.158 0.000 1.268 1139 I CA 0.503 61.863 61.300 0.100 0.000 1.449 1139 I CB -0.215 37.854 38.000 0.115 0.000 1.083 1139 I HN 0.283 nan 8.210 nan 0.000 0.464 1140 H N 0.000 119.082 119.070 0.019 0.000 2.539 1140 H HA 0.000 4.558 4.556 0.003 0.000 0.296 1140 H CA 0.000 56.056 56.048 0.013 0.000 1.023 1140 H CB 0.000 29.774 29.762 0.020 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496