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 2b5l_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 FSSXXXXXXT SFGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQNLGXX STPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NLQYDDGSGM KREATADDLI KVVEELTRIH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.777 176.300 -0.872 0.000 1.140 1 M CA 0.000 55.059 55.300 -0.402 0.000 0.988 1 M CB 0.000 32.455 32.600 -0.242 0.000 1.302 2 S N 0.586 115.758 115.700 -0.881 0.000 2.509 2 S HA 0.728 5.200 4.470 0.003 0.000 0.297 2 S C -1.863 172.051 174.600 -1.143 0.000 1.118 2 S CA -0.213 57.425 58.200 -0.937 0.000 1.074 2 S CB 0.756 63.629 63.200 -0.546 0.000 1.038 2 S HN 0.232 nan 8.310 nan 0.000 0.498 3 Y N 3.313 123.343 120.300 -0.450 0.000 2.535 3 Y HA 0.491 5.044 4.550 0.003 0.000 0.341 3 Y C 0.127 175.873 175.900 -0.257 0.000 1.041 3 Y CA -1.318 56.495 58.100 -0.479 0.000 1.307 3 Y CB 0.535 38.798 38.460 -0.328 0.000 1.095 3 Y HN 0.547 nan 8.280 nan 0.000 0.534 4 N N 1.344 119.927 118.700 -0.195 0.000 2.362 4 N HA 0.374 5.116 4.740 0.003 0.000 0.299 4 N C -1.709 173.895 175.510 0.156 0.000 1.170 4 N CA -0.793 52.174 53.050 -0.137 0.000 0.825 4 N CB 2.843 41.017 38.487 -0.521 0.000 1.299 4 N HN 0.542 nan 8.380 nan 0.000 0.502 5 Y N 0.210 120.554 120.300 0.074 0.000 2.446 5 Y HA 0.498 5.050 4.550 0.002 0.000 0.345 5 Y C -1.146 174.810 175.900 0.094 0.000 0.984 5 Y CA -0.634 57.532 58.100 0.110 0.000 1.058 5 Y CB 1.272 39.788 38.460 0.093 0.000 1.220 5 Y HN 0.170 nan 8.280 nan 0.000 0.455 6 V N 6.540 126.290 119.914 -0.273 0.000 2.482 6 V HA 0.607 4.729 4.120 0.003 0.000 0.295 6 V C -1.009 174.927 176.094 -0.263 0.000 1.026 6 V CA -0.882 61.308 62.300 -0.185 0.000 0.856 6 V CB 0.984 32.597 31.823 -0.350 0.000 1.001 6 V HN 0.640 nan 8.190 nan 0.000 0.424 7 V N 1.028 120.878 119.914 -0.107 0.000 2.823 7 V HA 0.644 4.766 4.120 0.003 0.000 0.312 7 V C 0.165 176.152 176.094 -0.177 0.000 1.072 7 V CA -0.679 61.538 62.300 -0.138 0.000 0.937 7 V CB 1.864 33.617 31.823 -0.117 0.000 1.013 7 V HN 0.709 nan 8.190 nan 0.000 0.430 8 T N 2.755 117.216 114.554 -0.155 0.000 2.761 8 T HA 0.473 4.825 4.350 0.003 0.000 0.296 8 T C 1.064 175.603 174.700 -0.268 0.000 0.934 8 T CA 0.574 62.579 62.100 -0.157 0.000 1.091 8 T CB 1.374 70.218 68.868 -0.040 0.000 0.896 8 T HN 1.059 nan 8.240 nan 0.000 0.515 9 A N 3.597 126.255 122.820 -0.270 0.000 1.997 9 A HA 0.191 4.513 4.320 0.003 0.000 0.212 9 A C 1.000 178.545 177.584 -0.065 0.000 1.178 9 A CA 0.564 52.485 52.037 -0.194 0.000 0.698 9 A CB 0.337 19.241 19.000 -0.159 0.000 0.842 9 A HN 0.581 nan 8.150 nan 0.000 0.458 10 Q N 0.505 120.253 119.800 -0.086 0.000 2.269 10 Q HA 0.312 4.654 4.340 0.003 0.000 0.263 10 Q C -1.489 174.493 176.000 -0.029 0.000 0.983 10 Q CA -0.217 55.560 55.803 -0.042 0.000 0.777 10 Q CB 1.734 30.444 28.738 -0.048 0.000 1.273 10 Q HN 0.455 nan 8.270 nan 0.000 0.440 11 K N 2.772 123.171 120.400 -0.001 0.000 2.319 11 K HA 0.243 4.565 4.320 0.003 0.000 0.265 11 K C -2.290 174.319 176.600 0.015 0.000 1.000 11 K CA -1.349 54.947 56.287 0.015 0.000 0.943 11 K CB -0.029 32.486 32.500 0.025 0.000 0.950 11 K HN 0.235 nan 8.250 nan 0.000 0.485 12 P HA -0.098 nan 4.420 nan 0.000 0.262 12 P C 0.184 177.496 177.300 0.021 0.000 1.182 12 P CA 0.383 63.498 63.100 0.024 0.000 0.761 12 P CB 0.547 32.264 31.700 0.029 0.000 0.795 13 T N -0.655 113.911 114.554 0.021 0.000 2.990 13 T HA 0.335 4.687 4.350 0.003 0.000 0.250 13 T C 0.818 175.538 174.700 0.033 0.000 1.041 13 T CA -0.092 62.025 62.100 0.028 0.000 1.010 13 T CB -0.017 68.869 68.868 0.029 0.000 1.003 13 T HN 0.398 nan 8.240 nan 0.000 0.499 14 A N 1.727 124.562 122.820 0.024 0.000 2.440 14 A HA 0.575 4.897 4.320 0.003 0.000 0.251 14 A C 0.110 177.711 177.584 0.028 0.000 1.089 14 A CA -0.388 51.663 52.037 0.023 0.000 0.779 14 A CB 0.177 19.183 19.000 0.010 0.000 1.022 14 A HN 0.339 nan 8.150 nan 0.000 0.492 15 V N 4.490 124.428 119.914 0.040 0.000 2.368 15 V HA 0.105 4.227 4.120 0.003 0.000 0.266 15 V C 0.806 176.921 176.094 0.035 0.000 1.045 15 V CA -0.396 61.939 62.300 0.058 0.000 0.899 15 V CB 0.696 32.593 31.823 0.123 0.000 1.006 15 V HN 1.003 nan 8.190 nan 0.000 0.470 16 N N 3.627 122.338 118.700 0.019 0.000 2.415 16 N HA 0.139 4.881 4.740 0.003 0.000 0.176 16 N C 0.662 176.176 175.510 0.007 0.000 1.042 16 N CA 0.707 53.756 53.050 -0.001 0.000 0.902 16 N CB 1.202 39.674 38.487 -0.025 0.000 0.986 16 N HN 0.771 nan 8.380 nan 0.000 0.447 17 G N 0.279 109.095 108.800 0.025 0.000 2.616 17 G HA2 0.429 4.391 3.960 0.003 0.000 0.294 17 G HA3 0.429 4.391 3.960 0.003 0.000 0.294 17 G C -1.628 173.303 174.900 0.052 0.000 1.489 17 G CA -0.591 44.527 45.100 0.030 0.000 0.836 17 G HN 0.218 nan 8.290 nan 0.000 0.527 18 c N 0.027 118.666 118.600 0.065 0.000 2.832 18 c HA 0.818 5.390 4.570 0.003 0.000 0.383 18 c C -0.599 173.516 174.090 0.042 0.000 1.046 18 c CA -0.769 55.596 56.329 0.060 0.000 1.242 18 c CB 0.541 43.178 42.510 0.211 0.000 1.693 18 c HN 1.279 nan 8.230 nan 0.000 0.497 19 V N 2.712 122.622 119.914 -0.006 0.000 3.166 19 V HA 0.935 5.057 4.120 0.003 0.000 0.317 19 V C -0.201 175.878 176.094 -0.025 0.000 1.136 19 V CA 0.243 62.545 62.300 0.003 0.000 1.035 19 V CB 2.404 34.227 31.823 -0.000 0.000 1.110 19 V HN 1.191 nan 8.190 nan 0.000 0.450 20 T N 1.388 115.937 114.554 -0.009 0.000 2.909 20 T HA 0.867 5.219 4.350 0.003 0.000 0.299 20 T C -0.324 174.348 174.700 -0.047 0.000 1.073 20 T CA 0.388 62.461 62.100 -0.044 0.000 0.999 20 T CB 1.217 70.066 68.868 -0.032 0.000 1.098 20 T HN 1.593 nan 8.240 nan 0.000 0.477 21 G N 1.872 110.594 108.800 -0.130 0.000 2.392 21 G HA2 0.338 4.300 3.960 0.003 0.000 0.260 21 G HA3 0.338 4.300 3.960 0.003 0.000 0.260 21 G C -1.950 172.719 174.900 -0.385 0.000 1.226 21 G CA -0.660 44.336 45.100 -0.173 0.000 0.913 21 G HN 0.746 nan 8.290 nan 0.000 0.483 22 H N 0.162 119.268 119.070 0.060 0.000 2.530 22 H HA 0.521 5.079 4.556 0.003 0.000 0.246 22 H C 0.011 175.397 175.328 0.096 0.000 1.346 22 H CA -0.557 55.520 56.048 0.049 0.000 1.424 22 H CB 1.048 30.826 29.762 0.025 0.000 1.445 22 H HN 0.319 nan 8.280 nan 0.000 0.511 23 F N 0.956 120.867 119.950 -0.066 0.000 2.383 23 F HA 0.033 4.562 4.527 0.003 0.000 0.287 23 F C 1.846 177.529 175.800 -0.195 0.000 1.069 23 F CA 0.788 58.724 58.000 -0.106 0.000 1.402 23 F CB 0.343 39.261 39.000 -0.137 0.000 1.116 23 F HN 0.309 nan 8.300 nan 0.000 0.549 24 T N -0.779 113.532 114.554 -0.404 0.000 2.942 24 T HA 0.058 4.410 4.350 0.003 0.000 0.265 24 T C 0.394 174.969 174.700 -0.209 0.000 1.062 24 T CA 1.213 62.907 62.100 -0.677 0.000 1.139 24 T CB -0.290 68.183 68.868 -0.658 0.000 0.883 24 T HN 0.196 nan 8.240 nan 0.000 0.468 25 S N -1.391 114.252 115.700 -0.094 0.000 2.580 25 S HA 0.559 5.031 4.470 0.003 0.000 0.281 25 S C 0.639 175.266 174.600 0.046 0.000 1.129 25 S CA -0.125 58.065 58.200 -0.017 0.000 0.862 25 S CB 0.785 63.980 63.200 -0.009 0.000 1.090 25 S HN 0.080 nan 8.310 nan 0.000 0.451 26 A N 2.347 125.182 122.820 0.025 0.000 2.070 26 A HA 0.021 4.343 4.320 0.003 0.000 0.220 26 A C 1.206 178.797 177.584 0.011 0.000 1.159 26 A CA 1.662 53.700 52.037 0.002 0.000 0.656 26 A CB -0.687 18.283 19.000 -0.049 0.000 0.800 26 A HN 0.974 nan 8.150 nan 0.000 0.453 27 E N -0.269 119.959 120.200 0.047 0.000 2.511 27 E HA 0.307 4.659 4.350 0.003 0.000 0.214 27 E C -1.244 175.415 176.600 0.098 0.000 1.062 27 E CA -0.542 55.896 56.400 0.063 0.000 1.213 27 E CB 0.106 29.820 29.700 0.024 0.000 1.214 27 E HN 0.226 nan 8.360 nan 0.000 0.441 28 D N 1.103 121.604 120.400 0.169 0.000 2.857 28 D HA 0.221 4.863 4.640 0.003 0.000 0.227 28 D C -1.505 174.810 176.300 0.025 0.000 1.192 28 D CA -0.749 53.297 54.000 0.077 0.000 0.857 28 D CB 2.335 43.136 40.800 0.002 0.000 1.645 28 D HN 0.149 nan 8.370 nan 0.000 0.482 29 L N 2.896 124.079 121.223 -0.066 0.000 2.257 29 L HA 0.391 4.733 4.340 0.003 0.000 0.290 29 L C -0.708 176.069 176.870 -0.155 0.000 1.044 29 L CA -0.254 54.462 54.840 -0.207 0.000 0.810 29 L CB 0.257 42.240 42.059 -0.127 0.000 1.193 29 L HN 0.163 nan 8.230 nan 0.000 0.425 30 N N 4.638 123.228 118.700 -0.184 0.000 2.430 30 N HA 0.486 5.228 4.740 0.003 0.000 0.298 30 N C -1.311 174.137 175.510 -0.103 0.000 1.130 30 N CA -0.512 52.475 53.050 -0.106 0.000 0.894 30 N CB 2.426 40.872 38.487 -0.068 0.000 1.209 30 N HN 0.511 nan 8.380 nan 0.000 0.503 31 L N 2.029 123.212 121.223 -0.067 0.000 2.343 31 L HA 0.470 4.812 4.340 0.003 0.000 0.278 31 L C -1.668 175.167 176.870 -0.059 0.000 0.996 31 L CA -0.589 54.183 54.840 -0.114 0.000 0.831 31 L CB 0.881 42.803 42.059 -0.228 0.000 1.232 31 L HN 0.271 nan 8.230 nan 0.000 0.413 32 L N 6.575 127.738 121.223 -0.099 0.000 2.272 32 L HA 0.550 4.892 4.340 0.003 0.000 0.289 32 L C -0.354 176.452 176.870 -0.107 0.000 1.032 32 L CA 0.041 54.825 54.840 -0.094 0.000 0.810 32 L CB 1.362 43.331 42.059 -0.150 0.000 1.205 32 L HN 0.521 nan 8.230 nan 0.000 0.422 33 I N 2.827 123.348 120.570 -0.081 0.000 2.433 33 I HA 0.625 4.797 4.170 0.003 0.000 0.292 33 I C -0.058 176.033 176.117 -0.042 0.000 1.001 33 I CA -0.764 60.486 61.300 -0.084 0.000 1.119 33 I CB 1.976 39.888 38.000 -0.147 0.000 1.289 33 I HN 0.648 nan 8.210 nan 0.000 0.438 34 A N 6.096 128.901 122.820 -0.025 0.000 2.260 34 A HA 0.517 4.839 4.320 0.003 0.000 0.314 34 A C 0.212 177.788 177.584 -0.015 0.000 1.257 34 A CA -0.510 51.506 52.037 -0.035 0.000 0.871 34 A CB 0.865 19.838 19.000 -0.046 0.000 1.166 34 A HN 0.835 nan 8.150 nan 0.000 0.522 35 K N 1.222 121.610 120.400 -0.020 0.000 2.143 35 K HA 0.054 4.376 4.320 0.003 0.000 0.209 35 K C 1.509 178.095 176.600 -0.024 0.000 1.042 35 K CA 1.560 57.843 56.287 -0.008 0.000 1.000 35 K CB -0.081 32.421 32.500 0.002 0.000 1.134 35 K HN 0.790 nan 8.250 nan 0.000 0.456 36 N N -1.639 117.044 118.700 -0.028 0.000 3.166 36 N HA -0.061 4.681 4.740 0.003 0.000 0.242 36 N C 1.106 176.578 175.510 -0.064 0.000 1.017 36 N CA 1.239 54.261 53.050 -0.045 0.000 1.113 36 N CB 0.036 38.507 38.487 -0.028 0.000 1.629 36 N HN 0.205 nan 8.380 nan 0.000 0.601 37 T N -1.724 112.807 114.554 -0.037 0.000 3.060 37 T HA 0.409 4.761 4.350 0.003 0.000 0.249 37 T C 0.278 174.936 174.700 -0.070 0.000 1.079 37 T CA -0.239 61.817 62.100 -0.074 0.000 1.013 37 T CB 0.088 68.959 68.868 0.005 0.000 0.975 37 T HN -0.040 nan 8.240 nan 0.000 0.518 38 R N 1.222 121.695 120.500 -0.044 0.000 2.540 38 R HA 0.676 5.018 4.340 0.003 0.000 0.287 38 R C -1.085 175.179 176.300 -0.060 0.000 0.980 38 R CA -1.294 54.780 56.100 -0.043 0.000 0.966 38 R CB 1.367 31.657 30.300 -0.017 0.000 1.106 38 R HN 0.251 nan 8.270 nan 0.000 0.480 39 L N 1.430 122.613 121.223 -0.068 0.000 2.372 39 L HA 0.401 4.743 4.340 0.003 0.000 0.273 39 L C -0.671 176.155 176.870 -0.072 0.000 0.989 39 L CA -0.088 54.707 54.840 -0.075 0.000 0.841 39 L CB 1.440 43.446 42.059 -0.088 0.000 1.225 39 L HN 0.555 nan 8.230 nan 0.000 0.414 40 E N 5.971 126.132 120.200 -0.066 0.000 2.179 40 E HA 0.551 4.903 4.350 0.003 0.000 0.275 40 E C -1.004 175.516 176.600 -0.132 0.000 0.945 40 E CA -0.584 55.746 56.400 -0.117 0.000 0.792 40 E CB 2.501 32.197 29.700 -0.008 0.000 1.125 40 E HN 0.539 nan 8.360 nan 0.000 0.397 41 I N 3.047 123.445 120.570 -0.287 0.000 2.433 41 I HA 0.378 4.550 4.170 0.003 0.000 0.292 41 I C -0.984 174.878 176.117 -0.425 0.000 1.001 41 I CA -0.722 60.461 61.300 -0.195 0.000 1.119 41 I CB 0.741 38.705 38.000 -0.060 0.000 1.289 41 I HN 0.483 nan 8.210 nan 0.000 0.438 42 Y N 4.152 124.373 120.300 -0.133 0.000 2.665 42 Y HA 0.675 5.227 4.550 0.004 0.000 0.336 42 Y C -0.354 175.471 175.900 -0.126 0.000 1.085 42 Y CA -1.043 56.979 58.100 -0.130 0.000 1.096 42 Y CB 1.778 40.137 38.460 -0.169 0.000 1.301 42 Y HN 0.081 nan 8.280 nan 0.000 0.493 43 V N 2.061 122.023 119.914 0.080 0.000 2.531 43 V HA 0.424 4.546 4.120 0.003 0.000 0.301 43 V C -0.873 175.226 176.094 0.008 0.000 1.034 43 V CA -1.018 61.284 62.300 0.003 0.000 0.865 43 V CB 1.708 33.521 31.823 -0.016 0.000 0.995 43 V HN 0.526 nan 8.190 nan 0.000 0.424 44 V N 5.082 124.979 119.914 -0.029 0.000 2.530 44 V HA 0.695 4.817 4.120 0.003 0.000 0.282 44 V C 0.616 176.695 176.094 -0.025 0.000 1.048 44 V CA 0.223 62.499 62.300 -0.041 0.000 0.997 44 V CB 0.840 32.619 31.823 -0.074 0.000 0.987 44 V HN 1.128 nan 8.190 nan 0.000 0.477 45 T N 1.415 115.958 114.554 -0.017 0.000 2.606 45 T HA 0.667 5.019 4.350 0.003 0.000 0.280 45 T C 1.063 175.758 174.700 -0.008 0.000 1.074 45 T CA 0.072 62.167 62.100 -0.008 0.000 1.140 45 T CB 1.187 70.056 68.868 0.002 0.000 1.631 45 T HN 0.588 nan 8.240 nan 0.000 0.464 46 A N 0.913 123.732 122.820 -0.001 0.000 1.834 46 A HA -0.054 4.268 4.320 0.003 0.000 0.216 46 A C 2.193 179.778 177.584 0.001 0.000 1.203 46 A CA 2.550 54.587 52.037 -0.000 0.000 0.621 46 A CB -1.573 17.429 19.000 0.003 0.000 0.841 46 A HN 1.027 nan 8.150 nan 0.000 0.446 47 E N -0.937 119.267 120.200 0.007 0.000 2.209 47 E HA 0.152 4.504 4.350 0.003 0.000 0.196 47 E C 1.188 177.796 176.600 0.013 0.000 0.993 47 E CA 2.313 58.720 56.400 0.011 0.000 0.819 47 E CB -0.342 29.369 29.700 0.019 0.000 0.745 47 E HN 1.052 nan 8.360 nan 0.000 0.477 48 G N -0.737 108.068 108.800 0.009 0.000 2.134 48 G HA2 -0.156 3.806 3.960 0.003 0.000 0.225 48 G HA3 -0.156 3.806 3.960 0.003 0.000 0.225 48 G C -0.924 173.977 174.900 0.001 0.000 1.944 48 G CA -0.219 44.882 45.100 0.001 0.000 1.512 48 G HN 0.173 nan 8.290 nan 0.000 0.493 49 L N 1.777 123.010 121.223 0.017 0.000 2.272 49 L HA 0.754 5.096 4.340 0.003 0.000 0.289 49 L C 0.521 177.467 176.870 0.126 0.000 1.032 49 L CA -0.491 54.366 54.840 0.028 0.000 0.810 49 L CB 1.476 43.460 42.059 -0.124 0.000 1.205 49 L HN 0.600 nan 8.230 nan 0.000 0.422 50 R N 5.149 125.741 120.500 0.154 0.000 2.320 50 R HA 0.503 4.845 4.340 0.003 0.000 0.319 50 R C -2.500 173.866 176.300 0.110 0.000 0.969 50 R CA -1.623 54.548 56.100 0.118 0.000 0.857 50 R CB 1.179 31.511 30.300 0.053 0.000 1.160 50 R HN 0.311 nan 8.270 nan 0.000 0.491 51 P HA -0.076 nan 4.420 nan 0.000 0.263 51 P C -0.240 176.965 177.300 -0.158 0.000 1.195 51 P CA 0.004 62.987 63.100 -0.194 0.000 0.762 51 P CB 1.281 32.919 31.700 -0.103 0.000 0.799 52 V N 3.009 122.787 119.914 -0.227 0.000 2.840 52 V HA 0.188 4.310 4.120 0.003 0.000 0.234 52 V C 0.513 176.568 176.094 -0.065 0.000 1.159 52 V CA 1.254 63.495 62.300 -0.099 0.000 1.194 52 V CB 0.017 31.792 31.823 -0.080 0.000 0.971 52 V HN 0.428 nan 8.190 nan 0.000 0.494 53 K N 0.326 120.667 120.400 -0.098 0.000 2.542 53 K HA 0.421 4.743 4.320 0.003 0.000 0.259 53 K C -1.314 175.223 176.600 -0.105 0.000 0.932 53 K CA -0.360 55.902 56.287 -0.043 0.000 0.820 53 K CB 2.045 34.604 32.500 0.099 0.000 1.345 53 K HN 0.107 nan 8.250 nan 0.000 0.432 54 E N 3.319 123.465 120.200 -0.090 0.000 2.234 54 E HA 0.557 4.909 4.350 0.003 0.000 0.266 54 E C -1.279 175.288 176.600 -0.056 0.000 0.877 54 E CA -0.804 55.541 56.400 -0.093 0.000 0.758 54 E CB 1.776 31.416 29.700 -0.100 0.000 1.170 54 E HN 0.505 nan 8.360 nan 0.000 0.415 55 V N 0.193 120.075 119.914 -0.055 0.000 3.182 55 V HA 0.973 5.095 4.120 0.003 0.000 0.308 55 V C -0.173 175.882 176.094 -0.065 0.000 1.240 55 V CA -0.434 61.832 62.300 -0.057 0.000 1.063 55 V CB 1.553 33.337 31.823 -0.064 0.000 1.076 55 V HN 0.642 nan 8.190 nan 0.000 0.446 56 G N 0.164 108.915 108.800 -0.082 0.000 2.600 56 G HA2 0.788 4.750 3.960 0.003 0.000 0.303 56 G HA3 0.788 4.750 3.960 0.003 0.000 0.303 56 G C -1.159 173.625 174.900 -0.193 0.000 1.253 56 G CA -1.008 44.039 45.100 -0.087 0.000 0.974 56 G HN 0.782 nan 8.290 nan 0.000 0.483 57 M N -0.543 118.919 119.600 -0.230 0.000 2.631 57 M HA 0.294 4.776 4.480 0.003 0.000 0.288 57 M C -1.427 174.615 176.300 -0.430 0.000 1.260 57 M CA -0.765 54.313 55.300 -0.370 0.000 0.842 57 M CB 2.773 35.178 32.600 -0.325 0.000 1.743 57 M HN 0.452 nan 8.290 nan 0.000 0.461 58 Y N 1.014 120.936 120.300 -0.631 0.000 2.826 58 Y HA 0.590 5.141 4.550 0.003 0.000 0.371 58 Y C 0.722 175.545 175.900 -1.795 0.000 1.252 58 Y CA -0.647 56.684 58.100 -1.281 0.000 1.813 58 Y CB -0.376 37.814 38.460 -0.451 0.000 1.913 58 Y HN 0.766 nan 8.280 nan 0.000 0.447 59 G N 0.464 108.106 108.800 -1.930 0.000 2.328 59 G HA2 0.169 4.131 3.960 0.003 0.000 0.299 59 G HA3 0.169 4.131 3.960 0.003 0.000 0.299 59 G C -1.514 172.989 174.900 -0.662 0.000 1.435 59 G CA -1.307 42.972 45.100 -1.368 0.000 0.865 59 G HN 0.010 nan 8.290 nan 0.000 0.601 60 K N 0.767 121.009 120.400 -0.263 0.000 2.276 60 K HA 0.367 4.689 4.320 0.003 0.000 0.285 60 K C 0.162 176.660 176.600 -0.169 0.000 1.062 60 K CA -0.424 55.775 56.287 -0.147 0.000 0.918 60 K CB 1.836 34.291 32.500 -0.076 0.000 1.055 60 K HN 0.386 nan 8.250 nan 0.000 0.477 61 I N 2.872 123.345 120.570 -0.161 0.000 2.581 61 I HA -0.100 4.072 4.170 0.003 0.000 0.285 61 I C 1.167 177.209 176.117 -0.125 0.000 1.129 61 I CA 0.231 61.439 61.300 -0.153 0.000 1.397 61 I CB 0.829 38.749 38.000 -0.134 0.000 1.399 61 I HN 0.787 nan 8.210 nan 0.000 0.537 62 A N 6.314 129.056 122.820 -0.130 0.000 2.013 62 A HA 0.349 4.671 4.320 0.003 0.000 0.204 62 A C 0.642 178.188 177.584 -0.063 0.000 1.262 62 A CA 0.389 52.365 52.037 -0.103 0.000 0.800 62 A CB 0.499 19.421 19.000 -0.129 0.000 0.909 62 A HN 0.439 nan 8.150 nan 0.000 0.472 63 V N 0.133 120.008 119.914 -0.064 0.000 2.735 63 V HA 0.639 4.761 4.120 0.003 0.000 0.310 63 V C -0.574 175.507 176.094 -0.021 0.000 1.061 63 V CA -0.267 62.039 62.300 0.009 0.000 0.913 63 V CB 1.554 33.453 31.823 0.127 0.000 1.005 63 V HN 0.545 nan 8.190 nan 0.000 0.428 64 M N 4.170 123.791 119.600 0.036 0.000 2.213 64 M HA 0.535 5.017 4.480 0.003 0.000 0.243 64 M C -1.979 174.365 176.300 0.072 0.000 0.979 64 M CA -0.122 55.187 55.300 0.015 0.000 1.037 64 M CB 1.433 34.005 32.600 -0.048 0.000 2.200 64 M HN 0.586 nan 8.290 nan 0.000 0.465 65 E N 4.764 125.057 120.200 0.154 0.000 2.256 65 E HA 0.492 4.844 4.350 0.003 0.000 0.268 65 E C -1.357 175.380 176.600 0.227 0.000 0.877 65 E CA -0.567 55.929 56.400 0.160 0.000 0.757 65 E CB 2.940 32.728 29.700 0.146 0.000 1.183 65 E HN 0.781 nan 8.360 nan 0.000 0.418 66 L N 3.451 124.775 121.223 0.169 0.000 2.399 66 L HA 0.551 4.893 4.340 0.003 0.000 0.266 66 L C 0.008 177.088 176.870 0.349 0.000 1.114 66 L CA -0.570 54.384 54.840 0.191 0.000 0.804 66 L CB 0.293 42.394 42.059 0.070 0.000 1.146 66 L HN 0.529 nan 8.230 nan 0.000 0.451 67 F N 0.338 120.330 119.950 0.069 0.000 2.773 67 F HA 0.675 5.205 4.527 0.004 0.000 0.314 67 F C -1.018 174.821 175.800 0.065 0.000 1.160 67 F CA -1.308 56.721 58.000 0.049 0.000 0.920 67 F CB 1.779 40.778 39.000 -0.001 0.000 1.323 67 F HN 0.224 nan 8.300 nan 0.000 0.457 68 R N 1.995 122.496 120.500 0.003 0.000 2.521 68 R HA 0.569 4.911 4.340 0.003 0.000 0.295 68 R C -3.141 173.155 176.300 -0.007 0.000 1.183 68 R CA -1.652 54.382 56.100 -0.111 0.000 0.957 68 R CB 1.676 31.960 30.300 -0.026 0.000 1.171 68 R HN 0.436 nan 8.270 nan 0.000 0.494 69 P HA 0.118 nan 4.420 nan 0.000 0.275 69 P C -1.031 176.279 177.300 0.017 0.000 1.228 69 P CA -0.446 62.686 63.100 0.053 0.000 0.786 69 P CB 0.716 32.463 31.700 0.079 0.000 0.927 70 K N 1.732 122.149 120.400 0.029 0.000 2.472 70 K HA 0.277 4.599 4.320 0.003 0.000 0.280 70 K C 1.169 177.774 176.600 0.009 0.000 1.028 70 K CA 1.036 57.333 56.287 0.017 0.000 1.045 70 K CB -0.576 31.936 32.500 0.021 0.000 0.902 70 K HN 0.833 nan 8.250 nan 0.000 0.478 71 G N 1.872 110.672 108.800 0.001 0.000 2.184 71 G HA2 -0.174 3.788 3.960 0.003 0.000 0.206 71 G HA3 -0.174 3.788 3.960 0.003 0.000 0.206 71 G C -0.375 174.518 174.900 -0.012 0.000 0.995 71 G CA -0.515 44.583 45.100 -0.003 0.000 0.651 71 G HN 0.537 nan 8.290 nan 0.000 0.511 72 E N 0.868 121.055 120.200 -0.021 0.000 2.191 72 E HA 0.499 4.851 4.350 0.003 0.000 0.278 72 E C 1.454 178.035 176.600 -0.033 0.000 0.972 72 E CA 0.150 56.530 56.400 -0.034 0.000 0.804 72 E CB 1.585 31.249 29.700 -0.061 0.000 1.110 72 E HN 0.329 nan 8.360 nan 0.000 0.394 73 S N 3.046 118.727 115.700 -0.031 0.000 2.356 73 S HA -0.150 4.322 4.470 0.003 0.000 0.223 73 S C 0.900 175.482 174.600 -0.031 0.000 1.032 73 S CA 1.011 59.194 58.200 -0.029 0.000 1.005 73 S CB -0.157 63.027 63.200 -0.027 0.000 0.867 73 S HN 0.547 nan 8.310 nan 0.000 0.449 74 K N 0.199 120.580 120.400 -0.031 0.000 2.261 74 K HA 0.538 4.860 4.320 0.003 0.000 0.242 74 K C -1.665 174.928 176.600 -0.012 0.000 1.083 74 K CA -1.006 55.273 56.287 -0.014 0.000 0.880 74 K CB 0.381 32.873 32.500 -0.013 0.000 1.353 74 K HN -0.159 nan 8.250 nan 0.000 0.486 75 D N 0.566 120.997 120.400 0.051 0.000 2.357 75 D HA 0.290 4.932 4.640 0.003 0.000 0.242 75 D C -0.112 176.241 176.300 0.090 0.000 1.153 75 D CA -0.072 53.956 54.000 0.047 0.000 0.918 75 D CB 0.638 41.528 40.800 0.149 0.000 1.181 75 D HN 0.306 nan 8.370 nan 0.000 0.435 76 L N 0.733 121.869 121.223 -0.145 0.000 2.313 76 L HA 0.502 4.844 4.340 0.003 0.000 0.268 76 L C -0.600 176.282 176.870 0.020 0.000 1.010 76 L CA -1.196 53.596 54.840 -0.080 0.000 0.814 76 L CB 1.466 43.251 42.059 -0.457 0.000 1.304 76 L HN 0.112 nan 8.230 nan 0.000 0.441 77 L N 1.026 122.358 121.223 0.181 0.000 2.341 77 L HA 0.526 4.868 4.340 0.003 0.000 0.278 77 L C -1.110 175.932 176.870 0.287 0.000 1.005 77 L CA -0.056 54.831 54.840 0.078 0.000 0.818 77 L CB 1.536 43.380 42.059 -0.359 0.000 1.259 77 L HN 0.312 nan 8.230 nan 0.000 0.418 78 F N 6.082 126.135 119.950 0.171 0.000 2.421 78 F HA 0.752 5.282 4.527 0.004 0.000 0.337 78 F C -0.767 175.031 175.800 -0.004 0.000 1.105 78 F CA -0.704 57.352 58.000 0.094 0.000 1.049 78 F CB 0.963 39.960 39.000 -0.004 0.000 1.139 78 F HN 0.295 nan 8.300 nan 0.000 0.479 79 I N 7.227 127.251 120.570 -0.911 0.000 2.644 79 I HA 0.287 4.459 4.170 0.003 0.000 0.291 79 I C -1.815 173.809 176.117 -0.821 0.000 1.180 79 I CA -0.929 59.977 61.300 -0.656 0.000 1.040 79 I CB 2.131 39.920 38.000 -0.351 0.000 1.255 79 I HN 0.424 nan 8.210 nan 0.000 0.422 80 L N 5.565 126.468 121.223 -0.534 0.000 2.356 80 L HA 0.574 4.916 4.340 0.003 0.000 0.277 80 L C -0.066 176.669 176.870 -0.225 0.000 0.996 80 L CA 0.212 54.848 54.840 -0.339 0.000 0.822 80 L CB 1.921 43.893 42.059 -0.144 0.000 1.256 80 L HN 0.527 nan 8.230 nan 0.000 0.413 81 T N 3.266 117.700 114.554 -0.199 0.000 2.849 81 T HA 0.406 4.758 4.350 0.003 0.000 0.284 81 T C 1.275 175.834 174.700 -0.235 0.000 1.004 81 T CA 0.313 62.301 62.100 -0.187 0.000 1.021 81 T CB 1.581 70.362 68.868 -0.145 0.000 1.013 81 T HN 0.777 nan 8.240 nan 0.000 0.527 82 A N 1.643 124.333 122.820 -0.217 0.000 2.067 82 A HA -0.007 4.314 4.320 0.003 0.000 0.219 82 A C 1.852 179.188 177.584 -0.414 0.000 1.158 82 A CA 1.257 53.116 52.037 -0.296 0.000 0.661 82 A CB -0.288 18.634 19.000 -0.130 0.000 0.801 82 A HN 0.756 nan 8.150 nan 0.000 0.452 83 K N -1.816 118.478 120.400 -0.176 0.000 2.437 83 K HA 0.206 4.528 4.320 0.003 0.000 0.198 83 K C -0.871 175.834 176.600 0.175 0.000 1.024 83 K CA -0.099 56.179 56.287 -0.014 0.000 1.148 83 K CB -0.098 32.472 32.500 0.117 0.000 0.860 83 K HN 0.523 nan 8.250 nan 0.000 0.515 84 Y N -1.579 118.762 120.300 0.070 0.000 4.366 84 Y HA -0.277 4.275 4.550 0.003 0.000 0.236 84 Y C -0.736 175.157 175.900 -0.012 0.000 1.142 84 Y CA -0.155 57.963 58.100 0.029 0.000 2.024 84 Y CB -2.775 35.721 38.460 0.060 0.000 1.621 84 Y HN 0.200 nan 8.280 nan 0.000 0.694 85 N N 1.284 120.011 118.700 0.045 0.000 2.430 85 N HA 0.559 5.301 4.740 0.003 0.000 0.265 85 N C -0.022 175.441 175.510 -0.079 0.000 1.100 85 N CA 0.351 53.377 53.050 -0.040 0.000 0.961 85 N CB 0.978 39.422 38.487 -0.072 0.000 1.075 85 N HN 0.415 nan 8.380 nan 0.000 0.478 86 A N 1.539 124.326 122.820 -0.055 0.000 2.325 86 A HA 0.836 5.158 4.320 0.003 0.000 0.333 86 A C -0.219 177.311 177.584 -0.089 0.000 1.155 86 A CA -0.656 51.313 52.037 -0.113 0.000 0.814 86 A CB 0.466 19.484 19.000 0.031 0.000 1.206 86 A HN 0.943 nan 8.150 nan 0.000 0.482 87 C N -0.014 119.159 119.300 -0.210 0.000 3.303 87 C HA 0.711 5.173 4.460 0.003 0.000 0.340 87 C C -1.291 173.697 174.990 -0.003 0.000 1.274 87 C CA -0.821 58.170 59.018 -0.045 0.000 1.234 87 C CB -0.228 27.488 27.740 -0.040 0.000 1.532 87 C HN 0.789 nan 8.230 nan 0.000 0.483 88 I N 2.390 123.048 120.570 0.146 0.000 2.382 88 I HA 0.526 4.698 4.170 0.003 0.000 0.286 88 I C -0.495 175.726 176.117 0.172 0.000 1.002 88 I CA -0.436 61.015 61.300 0.251 0.000 1.135 88 I CB 1.419 39.621 38.000 0.337 0.000 1.288 88 I HN 0.561 nan 8.210 nan 0.000 0.448 89 L N 5.919 127.250 121.223 0.180 0.000 2.331 89 L HA 0.592 4.934 4.340 0.003 0.000 0.275 89 L C -0.236 176.812 176.870 0.298 0.000 1.022 89 L CA -0.597 54.358 54.840 0.191 0.000 0.812 89 L CB 1.942 44.105 42.059 0.173 0.000 1.257 89 L HN 0.574 nan 8.230 nan 0.000 0.435 90 E N 1.072 121.391 120.200 0.198 0.000 2.222 90 E HA 0.225 4.577 4.350 0.003 0.000 0.267 90 E C -1.789 174.776 176.600 -0.059 0.000 0.884 90 E CA -0.755 55.697 56.400 0.088 0.000 0.764 90 E CB 1.896 31.601 29.700 0.007 0.000 1.169 90 E HN 0.466 nan 8.360 nan 0.000 0.413 91 Y N 4.495 124.453 120.300 -0.569 0.000 2.504 91 Y HA 0.247 4.798 4.550 0.003 0.000 0.351 91 Y C -0.736 174.952 175.900 -0.353 0.000 0.988 91 Y CA -0.080 57.640 58.100 -0.633 0.000 1.239 91 Y CB 0.484 38.158 38.460 -1.309 0.000 1.128 91 Y HN 0.321 nan 8.280 nan 0.000 0.525 92 K N 6.458 126.549 120.400 -0.515 0.000 2.450 92 K HA 0.278 4.600 4.320 0.003 0.000 0.257 92 K C -1.434 174.917 176.600 -0.414 0.000 0.953 92 K CA -0.717 55.363 56.287 -0.345 0.000 0.844 92 K CB 1.038 33.413 32.500 -0.208 0.000 1.103 92 K HN 0.770 nan 8.250 nan 0.000 0.429 93 Q N 3.363 122.981 119.800 -0.302 0.000 2.309 93 Q HA 0.263 4.605 4.340 0.003 0.000 0.270 93 Q C -0.790 175.137 176.000 -0.122 0.000 1.023 93 Q CA -0.424 55.239 55.803 -0.233 0.000 0.758 93 Q CB 1.836 30.462 28.738 -0.186 0.000 1.247 93 Q HN 0.717 nan 8.270 nan 0.000 0.455 94 S N 2.022 117.658 115.700 -0.108 0.000 2.310 94 S HA 0.293 4.765 4.470 0.003 0.000 0.205 94 S C 0.605 175.172 174.600 -0.055 0.000 1.020 94 S CA 0.706 58.863 58.200 -0.072 0.000 0.939 94 S CB 0.115 63.274 63.200 -0.068 0.000 0.919 94 S HN 0.781 nan 8.310 nan 0.000 0.501 95 G N 0.420 109.187 108.800 -0.056 0.000 3.341 95 G HA2 0.364 4.325 3.960 0.003 0.000 0.177 95 G HA3 0.364 4.325 3.960 0.003 0.000 0.177 95 G C -0.198 174.677 174.900 -0.041 0.000 1.236 95 G CA -0.251 44.824 45.100 -0.041 0.000 0.888 95 G HN 0.225 nan 8.290 nan 0.000 0.644 96 E N 0.496 120.674 120.200 -0.036 0.000 2.516 96 E HA 0.110 4.462 4.350 0.003 0.000 0.199 96 E C 0.929 177.502 176.600 -0.046 0.000 1.069 96 E CA 0.102 56.482 56.400 -0.033 0.000 0.876 96 E CB 0.063 29.747 29.700 -0.026 0.000 0.843 96 E HN 0.342 nan 8.360 nan 0.000 0.530 97 S N 0.149 115.813 115.700 -0.059 0.000 2.457 97 S HA 0.580 5.052 4.470 0.003 0.000 0.289 97 S C 0.030 174.561 174.600 -0.114 0.000 1.163 97 S CA -0.853 57.300 58.200 -0.077 0.000 1.078 97 S CB 1.086 64.242 63.200 -0.073 0.000 0.987 97 S HN 0.036 nan 8.310 nan 0.000 0.482 98 I N 2.396 122.884 120.570 -0.137 0.000 2.509 98 I HA 0.520 4.692 4.170 0.003 0.000 0.293 98 I C -0.701 175.275 176.117 -0.235 0.000 1.020 98 I CA -0.543 60.618 61.300 -0.231 0.000 1.088 98 I CB 1.982 39.857 38.000 -0.208 0.000 1.267 98 I HN 0.620 nan 8.210 nan 0.000 0.430 99 D N 5.358 125.566 120.400 -0.319 0.000 2.756 99 D HA 0.454 5.096 4.640 0.003 0.000 0.226 99 D C -1.123 175.010 176.300 -0.279 0.000 1.186 99 D CA -0.319 53.538 54.000 -0.239 0.000 0.845 99 D CB 3.315 44.012 40.800 -0.171 0.000 1.610 99 D HN 0.129 nan 8.370 nan 0.000 0.465 100 I N 2.883 123.359 120.570 -0.157 0.000 2.388 100 I HA 0.228 4.400 4.170 0.003 0.000 0.281 100 I C 0.546 176.628 176.117 -0.058 0.000 1.046 100 I CA -0.466 60.789 61.300 -0.076 0.000 1.187 100 I CB 0.528 38.552 38.000 0.039 0.000 1.351 100 I HN 0.235 nan 8.210 nan 0.000 0.472 101 I N 1.624 122.155 120.570 -0.065 0.000 2.886 101 I HA 0.481 4.653 4.170 0.003 0.000 0.299 101 I C -0.074 176.038 176.117 -0.007 0.000 1.044 101 I CA -0.228 61.044 61.300 -0.047 0.000 1.310 101 I CB 0.855 38.824 38.000 -0.053 0.000 1.441 101 I HN 0.297 nan 8.210 nan 0.000 0.578 102 T N 4.008 118.557 114.554 -0.009 0.000 2.758 102 T HA 0.391 4.743 4.350 0.003 0.000 0.285 102 T C 0.898 175.634 174.700 0.060 0.000 0.981 102 T CA -0.589 61.524 62.100 0.022 0.000 0.965 102 T CB 1.520 70.376 68.868 -0.020 0.000 0.927 102 T HN 0.516 nan 8.240 nan 0.000 0.448 103 R N 1.345 121.897 120.500 0.087 0.000 2.189 103 R HA 0.449 4.791 4.340 0.003 0.000 0.203 103 R C 0.621 176.988 176.300 0.113 0.000 1.012 103 R CA 0.202 56.356 56.100 0.090 0.000 1.015 103 R CB 0.108 30.463 30.300 0.092 0.000 0.938 103 R HN 0.725 nan 8.270 nan 0.000 0.472 104 A N 0.711 123.620 122.820 0.147 0.000 2.608 104 A HA 0.591 4.913 4.320 0.003 0.000 0.292 104 A C -1.368 176.336 177.584 0.200 0.000 1.066 104 A CA -0.766 51.355 52.037 0.140 0.000 0.676 104 A CB 1.374 20.440 19.000 0.111 0.000 1.277 104 A HN 0.425 nan 8.150 nan 0.000 0.413 105 H N -0.634 118.448 119.070 0.019 0.000 3.043 105 H HA 0.728 5.286 4.556 0.004 0.000 0.317 105 H C -0.608 174.711 175.328 -0.016 0.000 1.321 105 H CA -0.305 55.739 56.048 -0.008 0.000 1.243 105 H CB 1.026 30.767 29.762 -0.035 0.000 1.924 105 H HN 2.144 nan 8.280 nan 0.000 0.527 106 G N 0.798 109.588 108.800 -0.017 0.000 2.368 106 G HA2 0.141 4.103 3.960 0.003 0.000 0.293 106 G HA3 0.141 4.103 3.960 0.003 0.000 0.293 106 G C -1.936 172.951 174.900 -0.022 0.000 1.467 106 G CA -0.929 44.128 45.100 -0.071 0.000 0.804 106 G HN 0.692 nan 8.290 nan 0.000 0.535 107 N N 0.513 119.187 118.700 -0.044 0.000 2.469 107 N HA 0.268 5.010 4.740 0.003 0.000 0.253 107 N C 1.098 176.614 175.510 0.010 0.000 0.970 107 N CA -0.189 52.846 53.050 -0.025 0.000 0.940 107 N CB 1.795 40.222 38.487 -0.101 0.000 1.128 107 N HN 0.845 nan 8.380 nan 0.000 0.503 108 V N 1.627 121.573 119.914 0.054 0.000 3.563 108 V HA 0.128 4.250 4.120 0.003 0.000 0.299 108 V C 0.943 177.032 176.094 -0.009 0.000 1.290 108 V CA -0.265 62.054 62.300 0.032 0.000 1.201 108 V CB -1.113 30.744 31.823 0.056 0.000 1.045 108 V HN 0.653 nan 8.190 nan 0.000 0.425 109 Q N 0.987 120.768 119.800 -0.031 0.000 2.432 109 Q HA 0.121 4.463 4.340 0.003 0.000 0.264 109 Q C -0.713 175.220 176.000 -0.111 0.000 1.035 109 Q CA 0.235 55.923 55.803 -0.192 0.000 0.908 109 Q CB 0.701 29.398 28.738 -0.069 0.000 1.280 109 Q HN 0.597 nan 8.270 nan 0.000 0.455 110 D N 0.998 121.314 120.400 -0.140 0.000 2.269 110 D HA 0.168 4.810 4.640 0.003 0.000 0.244 110 D C 0.331 176.510 176.300 -0.200 0.000 0.992 110 D CA -0.511 53.366 54.000 -0.205 0.000 0.894 110 D CB 1.682 42.217 40.800 -0.443 0.000 1.248 110 D HN 0.502 nan 8.370 nan 0.000 0.468 111 R N 1.702 122.109 120.500 -0.155 0.000 2.066 111 R HA -0.019 4.323 4.340 0.003 0.000 0.232 111 R C 0.934 177.154 176.300 -0.133 0.000 1.131 111 R CA 1.533 57.574 56.100 -0.099 0.000 0.955 111 R CB -0.377 29.883 30.300 -0.066 0.000 0.851 111 R HN 0.601 nan 8.270 nan 0.000 0.432 112 I N -3.394 117.052 120.570 -0.206 0.000 3.573 112 I HA 0.736 4.908 4.170 0.003 0.000 0.285 112 I C -0.037 175.818 176.117 -0.437 0.000 1.203 112 I CA -0.405 60.767 61.300 -0.212 0.000 1.033 112 I CB 0.656 38.575 38.000 -0.136 0.000 1.348 112 I HN 0.342 nan 8.210 nan 0.000 0.525 113 G N 1.566 110.172 108.800 -0.323 0.000 3.055 113 G HA2 -0.046 3.916 3.960 0.003 0.000 0.685 113 G HA3 -0.046 3.916 3.960 0.003 0.000 0.685 113 G C -0.928 173.945 174.900 -0.045 0.000 1.212 113 G CA -0.795 44.050 45.100 -0.424 0.000 0.822 113 G HN 0.982 nan 8.290 nan 0.000 0.610 114 R N 3.016 123.603 120.500 0.146 0.000 2.216 114 R HA 0.476 4.818 4.340 0.003 0.000 0.332 114 R C -2.252 174.249 176.300 0.334 0.000 1.056 114 R CA -1.816 54.416 56.100 0.219 0.000 0.901 114 R CB 0.644 31.021 30.300 0.128 0.000 1.039 114 R HN 0.273 nan 8.270 nan 0.000 0.456 115 P HA -0.013 nan 4.420 nan 0.000 0.262 115 P C -0.808 176.534 177.300 0.070 0.000 1.199 115 P CA 0.374 63.553 63.100 0.133 0.000 0.763 115 P CB 0.960 32.741 31.700 0.135 0.000 0.790 116 S N 2.227 117.934 115.700 0.011 0.000 2.579 116 S HA 0.083 4.555 4.470 0.003 0.000 0.275 116 S C 0.675 175.255 174.600 -0.033 0.000 1.345 116 S CA -0.360 57.827 58.200 -0.021 0.000 1.031 116 S CB 0.268 63.434 63.200 -0.057 0.000 0.892 116 S HN 0.414 nan 8.310 nan 0.000 0.529 117 E N 1.100 121.265 120.200 -0.059 0.000 2.766 117 E HA 0.130 4.482 4.350 0.003 0.000 0.261 117 E C 1.239 177.809 176.600 -0.050 0.000 1.427 117 E CA 1.138 57.517 56.400 -0.033 0.000 1.085 117 E CB 0.044 29.737 29.700 -0.013 0.000 1.074 117 E HN 0.884 nan 8.360 nan 0.000 0.651 118 T N -2.550 111.990 114.554 -0.024 0.000 6.355 118 T HA -0.288 4.064 4.350 0.003 0.000 0.325 118 T C 0.958 175.647 174.700 -0.019 0.000 1.258 118 T CA 1.443 63.532 62.100 -0.017 0.000 2.332 118 T CB -2.422 66.432 68.868 -0.022 0.000 2.396 118 T HN 1.379 nan 8.240 nan 0.000 1.078 119 G N 1.494 110.280 108.800 -0.024 0.000 2.566 119 G HA2 -0.262 3.700 3.960 0.003 0.000 0.308 119 G HA3 -0.262 3.700 3.960 0.003 0.000 0.308 119 G C 0.090 174.969 174.900 -0.035 0.000 1.317 119 G CA -0.018 45.066 45.100 -0.027 0.000 0.930 119 G HN 1.296 nan 8.290 nan 0.000 0.547 120 I N 1.202 121.748 120.570 -0.040 0.000 2.581 120 I HA 0.095 4.267 4.170 0.003 0.000 0.285 120 I C 0.389 176.500 176.117 -0.009 0.000 1.129 120 I CA 0.072 61.350 61.300 -0.037 0.000 1.397 120 I CB 0.080 38.047 38.000 -0.054 0.000 1.399 120 I HN 0.180 nan 8.210 nan 0.000 0.537 121 I N 6.075 126.646 120.570 0.002 0.000 2.377 121 I HA 0.420 4.592 4.170 0.003 0.000 0.293 121 I C 0.606 176.747 176.117 0.039 0.000 0.987 121 I CA -0.349 60.970 61.300 0.031 0.000 1.185 121 I CB 1.327 39.356 38.000 0.048 0.000 1.341 121 I HN 0.563 nan 8.210 nan 0.000 0.455 122 G N 7.636 116.475 108.800 0.065 0.000 2.728 122 G HA2 0.697 4.659 3.960 0.003 0.000 0.296 122 G HA3 0.697 4.659 3.960 0.003 0.000 0.296 122 G C -0.607 174.330 174.900 0.062 0.000 1.401 122 G CA -0.367 44.773 45.100 0.067 0.000 1.007 122 G HN 0.583 nan 8.290 nan 0.000 0.527 123 I N -0.347 120.270 120.570 0.078 0.000 2.693 123 I HA 0.735 4.907 4.170 0.003 0.000 0.303 123 I C -0.750 175.412 176.117 0.075 0.000 1.025 123 I CA -1.548 59.852 61.300 0.167 0.000 1.086 123 I CB 2.510 40.732 38.000 0.370 0.000 1.268 123 I HN 0.156 nan 8.210 nan 0.000 0.440 124 I N 2.440 122.957 120.570 -0.089 0.000 2.465 124 I HA 0.243 4.415 4.170 0.003 0.000 0.291 124 I C -0.603 175.070 176.117 -0.741 0.000 1.014 124 I CA -0.563 60.462 61.300 -0.458 0.000 1.093 124 I CB 1.948 39.662 38.000 -0.477 0.000 1.267 124 I HN 0.683 nan 8.210 nan 0.000 0.431 125 D N 7.703 127.297 120.400 -1.342 0.000 2.472 125 D HA 0.034 4.676 4.640 0.003 0.000 0.237 125 D C -1.760 174.210 176.300 -0.550 0.000 1.141 125 D CA -0.785 52.433 54.000 -1.304 0.000 0.875 125 D CB 1.212 41.401 40.800 -1.017 0.000 1.192 125 D HN 0.214 nan 8.370 nan 0.000 0.450 126 P HA -0.112 nan 4.420 nan 0.000 0.218 126 P C 0.618 177.824 177.300 -0.156 0.000 1.149 126 P CA 0.906 63.815 63.100 -0.318 0.000 0.817 126 P CB 0.173 31.532 31.700 -0.568 0.000 0.785 127 E N -1.799 118.311 120.200 -0.150 0.000 2.427 127 E HA -0.016 4.336 4.350 0.003 0.000 0.196 127 E C 0.580 177.149 176.600 -0.052 0.000 1.028 127 E CA 0.345 56.706 56.400 -0.066 0.000 0.864 127 E CB -0.748 28.925 29.700 -0.045 0.000 0.813 127 E HN 0.143 nan 8.360 nan 0.000 0.514 128 C N 0.789 120.025 119.300 -0.107 0.000 4.497 128 C HA -0.170 4.292 4.460 0.003 0.000 0.292 128 C C 1.555 176.508 174.990 -0.061 0.000 1.366 128 C CA 0.454 59.438 59.018 -0.056 0.000 1.987 128 C CB -2.382 25.421 27.740 0.105 0.000 1.241 128 C HN 0.460 nan 8.230 nan 0.000 0.788 129 R N -0.135 120.301 120.500 -0.106 0.000 2.210 129 R HA 0.204 4.546 4.340 0.003 0.000 0.203 129 R C 0.734 176.992 176.300 -0.071 0.000 1.010 129 R CA 1.426 57.493 56.100 -0.054 0.000 1.008 129 R CB 0.084 30.371 30.300 -0.022 0.000 0.923 129 R HN 0.857 nan 8.270 nan 0.000 0.469 130 M N -2.144 117.353 119.600 -0.171 0.000 2.895 130 M HA 0.396 4.878 4.480 0.003 0.000 0.271 130 M C -1.721 174.389 176.300 -0.317 0.000 1.174 130 M CA -0.804 54.394 55.300 -0.170 0.000 0.816 130 M CB 1.707 34.290 32.600 -0.028 0.000 1.647 130 M HN -0.255 nan 8.290 nan 0.000 0.506 131 I N 1.004 121.396 120.570 -0.296 0.000 2.474 131 I HA 0.720 4.892 4.170 0.003 0.000 0.294 131 I C 0.018 176.004 176.117 -0.218 0.000 1.005 131 I CA -0.775 60.289 61.300 -0.393 0.000 1.113 131 I CB 2.213 39.831 38.000 -0.636 0.000 1.289 131 I HN 0.902 nan 8.210 nan 0.000 0.436 132 G N 6.342 115.114 108.800 -0.047 0.000 2.415 132 G HA2 0.692 4.654 3.960 0.003 0.000 0.327 132 G HA3 0.692 4.654 3.960 0.003 0.000 0.327 132 G C -1.399 173.284 174.900 -0.362 0.000 1.182 132 G CA -0.303 44.663 45.100 -0.222 0.000 0.924 132 G HN 0.274 nan 8.290 nan 0.000 0.470 133 L N 2.149 122.970 121.223 -0.670 0.000 2.404 133 L HA 0.498 4.840 4.340 0.003 0.000 0.272 133 L C -0.106 176.561 176.870 -0.338 0.000 0.980 133 L CA -0.850 53.779 54.840 -0.351 0.000 0.836 133 L CB 1.969 43.894 42.059 -0.225 0.000 1.238 133 L HN 0.433 nan 8.230 nan 0.000 0.408 134 R N 4.420 124.850 120.500 -0.117 0.000 2.280 134 R HA 0.415 4.757 4.340 0.003 0.000 0.326 134 R C -0.057 176.199 176.300 -0.073 0.000 1.080 134 R CA -0.075 56.011 56.100 -0.023 0.000 1.002 134 R CB 0.342 30.679 30.300 0.062 0.000 1.136 134 R HN 0.782 nan 8.270 nan 0.000 0.509 135 L N 3.338 124.481 121.223 -0.133 0.000 2.425 135 L HA 0.255 4.597 4.340 0.003 0.000 0.215 135 L C -0.185 176.334 176.870 -0.585 0.000 1.065 135 L CA 0.451 55.076 54.840 -0.359 0.000 0.842 135 L CB 0.173 41.934 42.059 -0.495 0.000 1.033 135 L HN 0.395 nan 8.230 nan 0.000 0.474 136 Y N -1.234 119.073 120.300 0.011 0.000 2.576 136 Y HA 0.331 4.883 4.550 0.003 0.000 0.346 136 Y C -0.355 175.549 175.900 0.007 0.000 1.018 136 Y CA -1.616 56.490 58.100 0.009 0.000 1.050 136 Y CB 0.910 39.363 38.460 -0.011 0.000 1.280 136 Y HN -0.169 nan 8.280 nan 0.000 0.474 137 D N 0.627 121.132 120.400 0.174 0.000 2.414 137 D HA 0.289 4.931 4.640 0.003 0.000 0.242 137 D C 1.119 177.478 176.300 0.100 0.000 1.129 137 D CA 1.737 55.797 54.000 0.100 0.000 0.885 137 D CB 1.262 42.115 40.800 0.089 0.000 1.198 137 D HN 0.913 nan 8.370 nan 0.000 0.437 138 G N 1.397 110.242 108.800 0.074 0.000 2.212 138 G HA2 -0.258 3.704 3.960 0.003 0.000 0.266 138 G HA3 -0.258 3.704 3.960 0.003 0.000 0.266 138 G C 0.198 175.143 174.900 0.075 0.000 0.978 138 G CA 0.244 45.383 45.100 0.066 0.000 0.632 138 G HN 0.451 nan 8.290 nan 0.000 0.537 139 L N -0.976 120.308 121.223 0.102 0.000 2.370 139 L HA 0.829 5.171 4.340 0.003 0.000 0.266 139 L C -0.778 176.195 176.870 0.171 0.000 1.002 139 L CA -1.242 53.665 54.840 0.113 0.000 0.818 139 L CB 2.039 44.158 42.059 0.099 0.000 1.325 139 L HN 0.051 nan 8.230 nan 0.000 0.418 140 F N 2.605 122.535 119.950 -0.033 0.000 2.539 140 F HA 0.421 4.950 4.527 0.003 0.000 0.328 140 F C -0.293 175.425 175.800 -0.136 0.000 1.148 140 F CA -0.694 57.273 58.000 -0.055 0.000 0.940 140 F CB 1.406 40.422 39.000 0.028 0.000 1.194 140 F HN 0.315 nan 8.300 nan 0.000 0.438 141 K N 5.346 125.422 120.400 -0.542 0.000 2.234 141 K HA 0.658 4.980 4.320 0.003 0.000 0.282 141 K C -1.409 174.747 176.600 -0.740 0.000 1.039 141 K CA -0.503 55.481 56.287 -0.505 0.000 0.928 141 K CB 1.161 33.476 32.500 -0.308 0.000 1.039 141 K HN 0.523 nan 8.250 nan 0.000 0.470 142 V N 5.902 125.364 119.914 -0.752 0.000 2.555 142 V HA 0.462 4.584 4.120 0.003 0.000 0.302 142 V C -0.263 175.463 176.094 -0.614 0.000 1.038 142 V CA -0.836 61.006 62.300 -0.764 0.000 0.887 142 V CB 1.656 32.830 31.823 -1.082 0.000 0.991 142 V HN 0.674 nan 8.190 nan 0.000 0.434 143 I N 5.629 125.989 120.570 -0.350 0.000 2.448 143 I HA 0.374 4.546 4.170 0.003 0.000 0.281 143 I C -2.601 173.453 176.117 -0.105 0.000 1.027 143 I CA -1.874 59.310 61.300 -0.193 0.000 1.111 143 I CB 2.443 40.342 38.000 -0.168 0.000 1.236 143 I HN 0.408 nan 8.210 nan 0.000 0.452 144 P HA 0.061 nan 4.420 nan 0.000 0.270 144 P C -0.113 177.190 177.300 0.004 0.000 1.223 144 P CA -0.229 62.894 63.100 0.038 0.000 0.785 144 P CB 0.716 32.477 31.700 0.101 0.000 0.923 145 L N 1.433 122.661 121.223 0.009 0.000 3.141 145 L HA 0.192 4.534 4.340 0.003 0.000 0.267 145 L C -0.129 176.768 176.870 0.044 0.000 1.281 145 L CA 0.139 54.993 54.840 0.023 0.000 1.037 145 L CB -0.726 41.342 42.059 0.016 0.000 1.407 145 L HN 0.253 nan 8.230 nan 0.000 0.566 146 D N 0.227 120.650 120.400 0.038 0.000 2.389 146 D HA 0.039 4.681 4.640 0.003 0.000 0.247 146 D C 0.755 177.078 176.300 0.039 0.000 1.128 146 D CA -0.414 53.607 54.000 0.035 0.000 0.884 146 D CB 0.850 41.667 40.800 0.028 0.000 1.194 146 D HN 0.076 nan 8.370 nan 0.000 0.441 147 R N 1.498 122.020 120.500 0.038 0.000 2.421 147 R HA -0.113 4.229 4.340 0.003 0.000 0.208 147 R C 0.624 176.942 176.300 0.030 0.000 1.103 147 R CA 0.308 56.431 56.100 0.038 0.000 1.065 147 R CB -0.443 29.875 30.300 0.030 0.000 0.839 147 R HN 0.544 nan 8.270 nan 0.000 0.480 148 D N 0.895 121.310 120.400 0.026 0.000 2.259 148 D HA -0.074 4.568 4.640 0.003 0.000 0.216 148 D C -0.014 176.295 176.300 0.016 0.000 0.961 148 D CA 0.278 54.289 54.000 0.018 0.000 0.878 148 D CB 0.098 40.907 40.800 0.015 0.000 1.009 148 D HN 0.051 nan 8.370 nan 0.000 0.490 149 N N 1.407 120.119 118.700 0.021 0.000 2.671 149 N HA -0.013 4.729 4.740 0.003 0.000 0.274 149 N C 0.468 175.988 175.510 0.015 0.000 1.188 149 N CA 0.219 53.278 53.050 0.016 0.000 1.065 149 N CB 0.095 38.595 38.487 0.022 0.000 1.415 149 N HN 0.072 nan 8.380 nan 0.000 0.511 150 K N 1.041 121.442 120.400 0.002 0.000 2.356 150 K HA 0.085 4.407 4.320 0.003 0.000 0.195 150 K C 0.450 177.012 176.600 -0.064 0.000 1.037 150 K CA 0.488 56.774 56.287 -0.002 0.000 1.014 150 K CB 0.579 33.083 32.500 0.006 0.000 0.815 150 K HN 0.479 nan 8.250 nan 0.000 0.507 151 E N 1.065 121.215 120.200 -0.084 0.000 2.489 151 E HA 0.083 4.435 4.350 0.003 0.000 0.193 151 E C -0.301 176.234 176.600 -0.109 0.000 1.057 151 E CA -0.020 56.288 56.400 -0.154 0.000 0.866 151 E CB -0.023 29.607 29.700 -0.117 0.000 0.916 151 E HN 0.148 nan 8.360 nan 0.000 0.500 152 L N 1.501 122.695 121.223 -0.049 0.000 3.601 152 L HA -0.219 4.123 4.340 0.003 0.000 0.469 152 L C -0.103 176.756 176.870 -0.019 0.000 1.294 152 L CA 0.286 55.118 54.840 -0.014 0.000 0.829 152 L CB -1.012 41.051 42.059 0.008 0.000 1.628 152 L HN 0.090 nan 8.230 nan 0.000 0.868 153 K N 1.019 121.413 120.400 -0.010 0.000 2.319 153 K HA 0.676 4.998 4.320 0.003 0.000 0.265 153 K C 0.409 177.017 176.600 0.013 0.000 1.000 153 K CA 0.746 57.036 56.287 0.005 0.000 0.943 153 K CB 1.284 33.797 32.500 0.022 0.000 0.950 153 K HN 0.423 nan 8.250 nan 0.000 0.485 154 A N 2.128 124.959 122.820 0.019 0.000 2.604 154 A HA 0.683 5.005 4.320 0.003 0.000 0.295 154 A C -1.323 176.284 177.584 0.038 0.000 1.067 154 A CA -0.922 51.096 52.037 -0.031 0.000 0.683 154 A CB 0.847 19.770 19.000 -0.129 0.000 1.281 154 A HN 0.555 nan 8.150 nan 0.000 0.407 155 F N -0.429 119.477 119.950 -0.072 0.000 2.579 155 F HA 0.745 5.274 4.527 0.003 0.000 0.324 155 F C -0.383 175.361 175.800 -0.093 0.000 1.058 155 F CA -1.086 56.867 58.000 -0.077 0.000 0.944 155 F CB 1.657 40.612 39.000 -0.075 0.000 1.245 155 F HN 0.469 nan 8.300 nan 0.000 0.477 156 N N 2.044 120.765 118.700 0.036 0.000 2.501 156 N HA 0.455 5.197 4.740 0.003 0.000 0.245 156 N C -1.175 174.336 175.510 0.001 0.000 0.974 156 N CA -0.516 52.505 53.050 -0.048 0.000 0.941 156 N CB 1.200 39.669 38.487 -0.031 0.000 1.122 156 N HN 0.459 nan 8.380 nan 0.000 0.507 157 I N 1.999 122.523 120.570 -0.078 0.000 2.416 157 I HA 0.180 4.352 4.170 0.003 0.000 0.288 157 I C 0.851 176.896 176.117 -0.120 0.000 1.051 157 I CA -0.465 60.723 61.300 -0.186 0.000 1.375 157 I CB 0.711 38.326 38.000 -0.641 0.000 1.407 157 I HN 0.340 nan 8.210 nan 0.000 0.516 158 R N 5.817 126.276 120.500 -0.068 0.000 2.643 158 R HA 0.429 4.771 4.340 0.003 0.000 0.270 158 R C -1.187 175.161 176.300 0.081 0.000 1.061 158 R CA 0.171 56.276 56.100 0.009 0.000 1.107 158 R CB 0.468 30.769 30.300 0.002 0.000 0.999 158 R HN 0.594 nan 8.270 nan 0.000 0.460 159 L N 3.216 124.496 121.223 0.094 0.000 2.356 159 L HA 0.257 4.599 4.340 0.003 0.000 0.277 159 L C 0.498 177.401 176.870 0.054 0.000 0.996 159 L CA -0.584 54.312 54.840 0.092 0.000 0.822 159 L CB 1.953 44.047 42.059 0.058 0.000 1.256 159 L HN 0.792 nan 8.230 nan 0.000 0.413 160 E N 1.710 121.944 120.200 0.057 0.000 2.017 160 E HA -0.146 4.206 4.350 0.003 0.000 0.193 160 E C -0.123 176.507 176.600 0.051 0.000 0.997 160 E CA 1.296 57.729 56.400 0.056 0.000 0.804 160 E CB 0.199 29.940 29.700 0.069 0.000 0.757 160 E HN 0.468 nan 8.360 nan 0.000 0.448 161 E N 0.525 120.736 120.200 0.019 0.000 2.406 161 E HA -0.046 4.306 4.350 0.003 0.000 0.247 161 E C 0.137 176.783 176.600 0.077 0.000 1.160 161 E CA 0.277 56.693 56.400 0.027 0.000 0.950 161 E CB 0.013 29.638 29.700 -0.126 0.000 0.993 161 E HN 0.273 nan 8.360 nan 0.000 0.472 162 L N 2.157 123.459 121.223 0.132 0.000 2.627 162 L HA 0.090 4.432 4.340 0.003 0.000 0.233 162 L C 0.463 177.449 176.870 0.194 0.000 1.144 162 L CA 0.263 55.184 54.840 0.135 0.000 0.892 162 L CB -0.355 41.783 42.059 0.132 0.000 1.039 162 L HN 0.541 nan 8.230 nan 0.000 0.442 163 H N -0.469 118.672 119.070 0.119 0.000 2.596 163 H HA 0.367 4.925 4.556 0.003 0.000 0.240 163 H C -1.065 174.360 175.328 0.162 0.000 1.406 163 H CA -0.404 55.718 56.048 0.123 0.000 1.504 163 H CB 0.578 30.413 29.762 0.121 0.000 1.688 163 H HN -0.184 nan 8.280 nan 0.000 0.546 164 V N 4.926 124.862 119.914 0.036 0.000 2.607 164 V HA 0.053 4.175 4.120 0.003 0.000 0.289 164 V C 0.962 177.082 176.094 0.044 0.000 1.053 164 V CA -0.336 62.029 62.300 0.108 0.000 0.996 164 V CB 1.108 32.913 31.823 -0.029 0.000 0.995 164 V HN 0.696 nan 8.190 nan 0.000 0.476 165 I N 1.643 122.296 120.570 0.138 0.000 2.499 165 I HA 0.207 4.378 4.170 0.003 0.000 0.243 165 I C 0.671 176.832 176.117 0.073 0.000 1.085 165 I CA 1.208 62.560 61.300 0.087 0.000 1.422 165 I CB -0.272 37.789 38.000 0.101 0.000 1.165 165 I HN 0.705 nan 8.210 nan 0.000 0.440 166 D N -0.926 119.540 120.400 0.111 0.000 2.596 166 D HA 0.607 5.249 4.640 0.003 0.000 0.262 166 D C -1.320 175.064 176.300 0.140 0.000 1.210 166 D CA -0.231 53.830 54.000 0.102 0.000 0.873 166 D CB 2.689 43.543 40.800 0.089 0.000 1.408 166 D HN -0.162 nan 8.370 nan 0.000 0.441 167 V N 0.396 120.379 119.914 0.116 0.000 3.048 167 V HA 0.714 4.836 4.120 0.003 0.000 0.303 167 V C -0.809 175.343 176.094 0.096 0.000 1.214 167 V CA -0.957 61.408 62.300 0.107 0.000 0.984 167 V CB 2.102 33.956 31.823 0.051 0.000 1.054 167 V HN 0.492 nan 8.190 nan 0.000 0.430 168 K N 1.459 121.897 120.400 0.063 0.000 2.556 168 K HA 0.644 4.966 4.320 0.003 0.000 0.274 168 K C -1.676 174.951 176.600 0.046 0.000 0.966 168 K CA -0.498 55.863 56.287 0.123 0.000 0.865 168 K CB 2.748 35.355 32.500 0.178 0.000 1.444 168 K HN 0.531 nan 8.250 nan 0.000 0.433 169 F N 1.018 121.008 119.950 0.067 0.000 2.377 169 F HA 0.429 4.958 4.527 0.003 0.000 0.328 169 F C 0.844 176.663 175.800 0.032 0.000 1.094 169 F CA -0.553 57.456 58.000 0.015 0.000 1.093 169 F CB 0.759 39.734 39.000 -0.040 0.000 1.214 169 F HN 0.108 nan 8.300 nan 0.000 0.518 170 L N 1.822 123.167 121.223 0.204 0.000 2.387 170 L HA 0.393 4.735 4.340 0.003 0.000 0.266 170 L C -0.817 176.171 176.870 0.197 0.000 1.059 170 L CA -0.931 54.056 54.840 0.245 0.000 0.801 170 L CB 0.963 43.125 42.059 0.172 0.000 1.223 170 L HN 0.455 nan 8.230 nan 0.000 0.456 171 Y N -0.595 119.828 120.300 0.205 0.000 2.458 171 Y HA 0.438 4.990 4.550 0.003 0.000 0.322 171 Y C 1.045 177.050 175.900 0.175 0.000 1.259 171 Y CA -0.345 57.864 58.100 0.181 0.000 1.302 171 Y CB 1.058 39.629 38.460 0.184 0.000 1.314 171 Y HN 0.688 nan 8.280 nan 0.000 0.509 172 G N 0.387 109.367 108.800 0.299 0.000 2.372 172 G HA2 -0.223 3.739 3.960 0.003 0.000 0.297 172 G HA3 -0.223 3.739 3.960 0.003 0.000 0.297 172 G C -0.890 174.115 174.900 0.175 0.000 1.005 172 G CA 0.090 45.320 45.100 0.216 0.000 1.173 172 G HN 0.643 nan 8.290 nan 0.000 0.511 173 C N 0.817 120.196 119.300 0.133 0.000 2.547 173 C HA 0.366 4.828 4.460 0.003 0.000 0.327 173 C C 1.524 176.563 174.990 0.082 0.000 1.076 173 C CA -0.728 58.353 59.018 0.105 0.000 1.390 173 C CB 1.074 28.869 27.740 0.092 0.000 1.918 173 C HN 0.772 nan 8.230 nan 0.000 0.438 174 Q N 1.617 121.463 119.800 0.076 0.000 2.242 174 Q HA -0.187 4.155 4.340 0.003 0.000 0.211 174 Q C 0.944 176.981 176.000 0.061 0.000 0.992 174 Q CA 1.702 57.543 55.803 0.063 0.000 0.889 174 Q CB 0.058 28.831 28.738 0.058 0.000 0.913 174 Q HN 0.878 nan 8.270 nan 0.000 0.422 175 A N 0.944 123.804 122.820 0.066 0.000 2.330 175 A HA 0.490 4.812 4.320 0.003 0.000 0.313 175 A C -2.592 175.047 177.584 0.093 0.000 1.124 175 A CA -1.877 50.205 52.037 0.074 0.000 0.774 175 A CB 0.994 20.034 19.000 0.067 0.000 1.198 175 A HN -0.156 nan 8.150 nan 0.000 0.465 176 P HA 0.112 nan 4.420 nan 0.000 0.260 176 P C -0.185 177.223 177.300 0.181 0.000 1.185 176 P CA 0.948 64.173 63.100 0.209 0.000 0.763 176 P CB 0.428 32.292 31.700 0.274 0.000 0.776 177 T N 1.610 116.241 114.554 0.127 0.000 2.848 177 T HA 0.586 4.938 4.350 0.003 0.000 0.285 177 T C -0.308 174.300 174.700 -0.154 0.000 0.995 177 T CA -0.822 61.257 62.100 -0.036 0.000 0.970 177 T CB 0.903 69.695 68.868 -0.128 0.000 0.976 177 T HN -0.045 nan 8.240 nan 0.000 0.441 178 I N 2.376 122.779 120.570 -0.279 0.000 2.331 178 I HA 0.427 4.599 4.170 0.003 0.000 0.292 178 I C -0.029 175.941 176.117 -0.244 0.000 0.998 178 I CA -1.069 60.008 61.300 -0.372 0.000 1.267 178 I CB 1.002 38.673 38.000 -0.548 0.000 1.386 178 I HN 1.010 nan 8.210 nan 0.000 0.476 179 C N 9.350 128.546 119.300 -0.173 0.000 2.291 179 C HA 0.760 5.222 4.460 0.003 0.000 0.322 179 C C -0.379 174.584 174.990 -0.046 0.000 1.205 179 C CA -0.597 58.300 59.018 -0.202 0.000 1.495 179 C CB -1.392 26.253 27.740 -0.158 0.000 2.127 179 C HN 0.602 nan 8.230 nan 0.000 0.452 180 F N 4.193 124.029 119.950 -0.190 0.000 2.654 180 F HA 0.906 5.434 4.527 0.003 0.000 0.334 180 F C -1.035 174.762 175.800 -0.006 0.000 1.078 180 F CA -1.258 56.685 58.000 -0.095 0.000 0.986 180 F CB 0.990 39.924 39.000 -0.110 0.000 1.362 180 F HN 0.208 nan 8.300 nan 0.000 0.498 181 V N 1.837 121.875 119.914 0.208 0.000 2.459 181 V HA 0.507 4.629 4.120 0.003 0.000 0.295 181 V C -0.889 175.424 176.094 0.365 0.000 1.029 181 V CA -0.733 61.643 62.300 0.127 0.000 0.874 181 V CB 1.020 32.864 31.823 0.036 0.000 0.985 181 V HN 0.891 nan 8.190 nan 0.000 0.438 182 Y N 1.659 122.016 120.300 0.094 0.000 2.669 182 Y HA 0.813 5.365 4.550 0.003 0.000 0.335 182 Y C -0.580 175.361 175.900 0.069 0.000 1.116 182 Y CA -1.265 56.943 58.100 0.179 0.000 1.081 182 Y CB 1.984 40.629 38.460 0.308 0.000 1.297 182 Y HN 0.508 nan 8.280 nan 0.000 0.484 183 Q N 2.303 122.232 119.800 0.216 0.000 2.295 183 Q HA 0.334 4.676 4.340 0.003 0.000 0.259 183 Q C -2.101 173.942 176.000 0.072 0.000 0.966 183 Q CA -0.555 55.239 55.803 -0.015 0.000 0.763 183 Q CB 1.546 30.253 28.738 -0.052 0.000 1.283 183 Q HN 0.918 nan 8.270 nan 0.000 0.445 184 D N 2.504 122.950 120.400 0.078 0.000 2.668 184 D HA 0.496 5.138 4.640 0.003 0.000 0.249 184 D C -1.906 174.428 176.300 0.057 0.000 1.150 184 D CA -1.350 52.728 54.000 0.130 0.000 1.090 184 D CB 0.098 41.053 40.800 0.258 0.000 1.244 184 D HN 0.200 nan 8.370 nan 0.000 0.636 185 P HA -0.104 nan 4.420 nan 0.000 0.215 185 P C 0.985 178.313 177.300 0.047 0.000 1.153 185 P CA 1.440 64.566 63.100 0.043 0.000 0.853 185 P CB 0.070 31.799 31.700 0.048 0.000 0.788 186 Q N -1.118 118.745 119.800 0.105 0.000 2.500 186 Q HA 0.204 4.545 4.340 0.003 0.000 0.213 186 Q C 1.200 177.253 176.000 0.089 0.000 0.974 186 Q CA 1.074 56.955 55.803 0.131 0.000 0.918 186 Q CB -0.511 28.338 28.738 0.184 0.000 0.980 186 Q HN 0.284 nan 8.270 nan 0.000 0.505 187 G N -0.562 108.204 108.800 -0.057 0.000 2.337 187 G HA2 -0.135 3.827 3.960 0.003 0.000 0.197 187 G HA3 -0.135 3.827 3.960 0.003 0.000 0.197 187 G C -1.244 173.273 174.900 -0.639 0.000 1.238 187 G CA -1.008 43.938 45.100 -0.256 0.000 1.119 187 G HN 0.044 nan 8.290 nan 0.000 0.514 188 R N 0.775 120.850 120.500 -0.707 0.000 2.393 188 R HA 0.639 4.981 4.340 0.003 0.000 0.310 188 R C -0.390 175.308 176.300 -1.003 0.000 0.968 188 R CA -0.750 54.879 56.100 -0.785 0.000 0.867 188 R CB 1.322 31.404 30.300 -0.363 0.000 1.124 188 R HN 0.702 nan 8.270 nan 0.000 0.450 189 H N 0.113 118.811 119.070 -0.620 0.000 3.218 189 H HA 0.527 5.085 4.556 0.003 0.000 0.303 189 H C -0.959 174.087 175.328 -0.469 0.000 1.605 189 H CA -0.984 54.735 56.048 -0.548 0.000 1.298 189 H CB 1.756 31.132 29.762 -0.643 0.000 1.856 189 H HN 0.283 nan 8.280 nan 0.000 0.656 190 V N 1.444 121.273 119.914 -0.142 0.000 2.671 190 V HA 0.323 4.445 4.120 0.003 0.000 0.292 190 V C -0.975 174.969 176.094 -0.249 0.000 1.115 190 V CA -0.565 61.612 62.300 -0.205 0.000 0.918 190 V CB 1.157 32.821 31.823 -0.265 0.000 1.036 190 V HN 0.923 nan 8.190 nan 0.000 0.445 191 K N 4.054 124.144 120.400 -0.517 0.000 2.307 191 K HA 0.963 5.284 4.320 0.003 0.000 0.239 191 K C -0.460 175.611 176.600 -0.883 0.000 1.083 191 K CA -0.250 55.663 56.287 -0.625 0.000 0.913 191 K CB 2.191 34.316 32.500 -0.624 0.000 1.322 191 K HN 0.722 nan 8.250 nan 0.000 0.514 192 T N -2.856 111.196 114.554 -0.838 0.000 2.864 192 T HA 0.540 4.892 4.350 0.003 0.000 0.299 192 T C -1.230 173.027 174.700 -0.738 0.000 1.166 192 T CA -0.764 60.886 62.100 -0.751 0.000 1.007 192 T CB 0.856 69.263 68.868 -0.769 0.000 1.219 192 T HN 0.624 nan 8.240 nan 0.000 0.506 193 Y N -0.926 119.140 120.300 -0.389 0.000 2.609 193 Y HA 0.515 5.067 4.550 0.003 0.000 0.336 193 Y C -0.264 175.486 175.900 -0.249 0.000 1.129 193 Y CA -1.323 56.548 58.100 -0.381 0.000 1.040 193 Y CB 2.264 40.251 38.460 -0.788 0.000 1.310 193 Y HN 0.671 nan 8.280 nan 0.000 0.460 194 E N 1.218 121.475 120.200 0.095 0.000 2.212 194 E HA 0.560 4.912 4.350 0.003 0.000 0.270 194 E C -1.446 175.301 176.600 0.244 0.000 0.956 194 E CA -1.022 55.443 56.400 0.108 0.000 0.825 194 E CB 2.775 32.525 29.700 0.084 0.000 1.167 194 E HN 0.206 nan 8.360 nan 0.000 0.400 195 V N 2.016 122.074 119.914 0.241 0.000 2.350 195 V HA 0.158 4.280 4.120 0.003 0.000 0.285 195 V C -0.109 176.106 176.094 0.201 0.000 1.014 195 V CA -0.789 61.683 62.300 0.287 0.000 0.831 195 V CB 0.973 32.999 31.823 0.337 0.000 1.000 195 V HN 0.693 nan 8.190 nan 0.000 0.433 196 S N 5.249 121.041 115.700 0.153 0.000 2.410 196 S HA 0.492 4.964 4.470 0.003 0.000 0.304 196 S C 0.836 175.498 174.600 0.103 0.000 1.095 196 S CA -0.661 57.601 58.200 0.103 0.000 1.089 196 S CB 0.874 64.107 63.200 0.056 0.000 0.968 196 S HN 0.545 nan 8.310 nan 0.000 0.480 197 L N 1.449 122.743 121.223 0.117 0.000 2.131 197 L HA -0.083 4.259 4.340 0.003 0.000 0.210 197 L C 2.897 179.753 176.870 -0.024 0.000 1.092 197 L CA 1.088 55.999 54.840 0.118 0.000 0.759 197 L CB -0.449 41.679 42.059 0.115 0.000 0.903 197 L HN 0.608 nan 8.230 nan 0.000 0.435 198 R N 0.909 121.397 120.500 -0.020 0.000 2.092 198 R HA -0.158 4.184 4.340 0.003 0.000 0.226 198 R C 2.128 178.366 176.300 -0.104 0.000 1.140 198 R CA 1.815 57.883 56.100 -0.054 0.000 0.910 198 R CB -0.420 29.865 30.300 -0.024 0.000 0.822 198 R HN 0.274 nan 8.270 nan 0.000 0.433 199 E N 0.547 120.699 120.200 -0.079 0.000 2.204 199 E HA -0.095 4.256 4.350 0.003 0.000 0.194 199 E C -0.218 176.281 176.600 -0.169 0.000 0.989 199 E CA 0.753 57.094 56.400 -0.098 0.000 0.824 199 E CB 0.122 29.791 29.700 -0.053 0.000 0.756 199 E HN 0.257 nan 8.360 nan 0.000 0.477 200 K N 0.690 120.968 120.400 -0.204 0.000 3.161 200 K HA -0.182 4.140 4.320 0.003 0.000 0.270 200 K C -0.669 175.848 176.600 -0.139 0.000 1.115 200 K CA 0.625 56.701 56.287 -0.351 0.000 0.789 200 K CB -1.354 30.660 32.500 -0.810 0.000 1.256 200 K HN 0.255 nan 8.250 nan 0.000 0.492 201 E N -0.750 119.407 120.200 -0.073 0.000 2.459 201 E HA 0.536 4.888 4.350 0.003 0.000 0.275 201 E C -0.878 175.677 176.600 -0.075 0.000 0.987 201 E CA -0.958 55.381 56.400 -0.101 0.000 0.828 201 E CB 1.346 31.009 29.700 -0.060 0.000 1.428 201 E HN 0.065 nan 8.360 nan 0.000 0.457 202 F N 1.787 121.676 119.950 -0.100 0.000 2.445 202 F HA 0.294 4.823 4.527 0.003 0.000 0.348 202 F C 1.043 176.725 175.800 -0.196 0.000 1.125 202 F CA -0.790 57.092 58.000 -0.197 0.000 0.983 202 F CB 1.058 39.749 39.000 -0.516 0.000 1.198 202 F HN 0.316 nan 8.300 nan 0.000 0.436 203 N N 3.045 121.823 118.700 0.130 0.000 2.141 203 N HA 0.048 4.790 4.740 0.003 0.000 0.187 203 N C -0.278 175.298 175.510 0.111 0.000 1.068 203 N CA 0.543 53.642 53.050 0.082 0.000 0.906 203 N CB 0.053 38.585 38.487 0.076 0.000 1.069 203 N HN 0.442 nan 8.380 nan 0.000 0.461 204 K N -0.621 119.859 120.400 0.133 0.000 2.569 204 K HA 0.454 4.776 4.320 0.003 0.000 0.259 204 K C -1.211 175.416 176.600 0.045 0.000 0.932 204 K CA -0.429 55.938 56.287 0.132 0.000 0.833 204 K CB 1.973 34.516 32.500 0.071 0.000 1.340 204 K HN 0.350 nan 8.250 nan 0.000 0.429 205 G N 2.307 111.073 108.800 -0.057 0.000 2.597 205 G HA2 0.413 4.375 3.960 0.003 0.000 0.317 205 G HA3 0.413 4.375 3.960 0.003 0.000 0.317 205 G C -1.957 172.849 174.900 -0.156 0.000 1.230 205 G CA -1.482 43.530 45.100 -0.145 0.000 0.996 205 G HN 0.418 nan 8.290 nan 0.000 0.490 206 P HA -0.083 nan 4.420 nan 0.000 0.216 206 P C -0.079 177.280 177.300 0.098 0.000 1.167 206 P CA 1.850 64.930 63.100 -0.033 0.000 0.933 206 P CB 0.018 31.675 31.700 -0.072 0.000 0.793 207 W N -1.771 119.492 121.300 -0.062 0.000 2.992 207 W HA 0.762 5.424 4.660 0.003 0.000 0.342 207 W C -0.948 175.501 176.519 -0.117 0.000 1.176 207 W CA -1.085 56.219 57.345 -0.069 0.000 1.118 207 W CB 1.060 30.493 29.460 -0.045 0.000 1.457 207 W HN -0.350 nan 8.180 nan 0.000 0.573 208 K N 1.221 121.754 120.400 0.221 0.000 2.527 208 K HA 0.495 4.817 4.320 0.003 0.000 0.260 208 K C -1.789 174.879 176.600 0.113 0.000 0.937 208 K CA -0.797 55.529 56.287 0.066 0.000 0.826 208 K CB 2.239 34.720 32.500 -0.032 0.000 1.359 208 K HN 0.584 nan 8.250 nan 0.000 0.434 209 Q N 2.687 122.521 119.800 0.057 0.000 2.526 209 Q HA 0.150 4.492 4.340 0.003 0.000 0.238 209 Q C -1.731 174.285 176.000 0.027 0.000 0.866 209 Q CA -0.484 55.360 55.803 0.068 0.000 0.801 209 Q CB 1.164 29.993 28.738 0.151 0.000 1.380 209 Q HN 0.613 nan 8.270 nan 0.000 0.446 210 E N 2.606 122.813 120.200 0.012 0.000 2.349 210 E HA 0.389 4.741 4.350 0.003 0.000 0.265 210 E C -0.466 176.220 176.600 0.143 0.000 1.064 210 E CA -0.811 55.618 56.400 0.047 0.000 0.886 210 E CB 0.518 30.132 29.700 -0.143 0.000 1.036 210 E HN 0.540 nan 8.360 nan 0.000 0.413 211 N N 0.191 119.087 118.700 0.327 0.000 2.610 211 N HA -0.151 4.591 4.740 0.003 0.000 0.271 211 N C -0.426 175.104 175.510 0.033 0.000 1.146 211 N CA 0.862 53.971 53.050 0.099 0.000 0.711 211 N CB -0.915 37.626 38.487 0.089 0.000 0.883 211 N HN 0.514 nan 8.380 nan 0.000 0.548 212 V N -1.608 118.291 119.914 -0.026 0.000 3.513 212 V HA 0.419 4.541 4.120 0.003 0.000 0.297 212 V C 1.196 177.272 176.094 -0.030 0.000 1.058 212 V CA -0.826 61.480 62.300 0.009 0.000 1.003 212 V CB 0.836 32.635 31.823 -0.039 0.000 1.236 212 V HN 0.346 nan 8.190 nan 0.000 0.436 213 E N -0.163 120.026 120.200 -0.017 0.000 2.459 213 E HA 0.083 4.435 4.350 0.003 0.000 0.264 213 E C 1.227 177.789 176.600 -0.063 0.000 1.055 213 E CA 0.441 56.822 56.400 -0.032 0.000 0.957 213 E CB 1.179 30.862 29.700 -0.029 0.000 0.952 213 E HN 0.883 nan 8.360 nan 0.000 0.448 214 A N 4.250 127.035 122.820 -0.059 0.000 2.121 214 A HA -0.108 4.214 4.320 0.003 0.000 0.218 214 A C 1.063 178.611 177.584 -0.061 0.000 1.154 214 A CA 0.971 52.965 52.037 -0.073 0.000 0.679 214 A CB 0.085 19.051 19.000 -0.056 0.000 0.795 214 A HN 0.510 nan 8.150 nan 0.000 0.458 215 E N -0.175 119.996 120.200 -0.048 0.000 2.569 215 E HA 0.339 4.691 4.350 0.003 0.000 0.205 215 E C 0.167 176.743 176.600 -0.039 0.000 1.006 215 E CA 0.152 56.529 56.400 -0.038 0.000 0.985 215 E CB -0.062 29.618 29.700 -0.033 0.000 1.060 215 E HN 0.473 nan 8.360 nan 0.000 0.460 216 A N 1.476 124.266 122.820 -0.050 0.000 2.545 216 A HA 0.164 4.486 4.320 0.003 0.000 0.253 216 A C 1.313 178.879 177.584 -0.029 0.000 1.074 216 A CA 0.754 52.762 52.037 -0.049 0.000 0.760 216 A CB 0.128 19.087 19.000 -0.069 0.000 1.005 216 A HN 0.183 nan 8.150 nan 0.000 0.506 217 S N 2.259 117.948 115.700 -0.019 0.000 2.663 217 S HA 0.330 4.802 4.470 0.003 0.000 0.247 217 S C 0.448 175.059 174.600 0.019 0.000 1.074 217 S CA -0.113 58.090 58.200 0.004 0.000 0.955 217 S CB -0.007 63.196 63.200 0.004 0.000 0.901 217 S HN 0.614 nan 8.310 nan 0.000 0.505 218 M N 2.012 121.616 119.600 0.007 0.000 2.528 218 M HA 0.629 5.111 4.480 0.003 0.000 0.321 218 M C -1.568 174.730 176.300 -0.004 0.000 1.153 218 M CA -0.752 54.566 55.300 0.030 0.000 0.951 218 M CB 2.442 35.075 32.600 0.055 0.000 1.705 218 M HN -0.004 nan 8.290 nan 0.000 0.451 219 V N 3.157 123.086 119.914 0.026 0.000 2.769 219 V HA 0.643 4.765 4.120 0.003 0.000 0.312 219 V C -0.698 175.389 176.094 -0.012 0.000 1.061 219 V CA -0.649 61.653 62.300 0.002 0.000 0.931 219 V CB 2.441 34.290 31.823 0.044 0.000 1.010 219 V HN 0.723 nan 8.190 nan 0.000 0.433 220 I N 2.610 123.141 120.570 -0.065 0.000 2.586 220 I HA 0.582 4.754 4.170 0.003 0.000 0.288 220 I C -0.030 176.102 176.117 0.025 0.000 1.147 220 I CA -0.648 60.594 61.300 -0.097 0.000 1.047 220 I CB 2.018 39.752 38.000 -0.444 0.000 1.244 220 I HN 0.698 nan 8.210 nan 0.000 0.429 221 A N 6.629 129.554 122.820 0.175 0.000 2.309 221 A HA 0.627 4.949 4.320 0.003 0.000 0.290 221 A C -0.242 177.480 177.584 0.230 0.000 1.206 221 A CA -0.308 51.904 52.037 0.292 0.000 0.850 221 A CB 0.432 19.726 19.000 0.490 0.000 1.118 221 A HN 0.453 nan 8.150 nan 0.000 0.523 222 V N 5.722 125.735 119.914 0.165 0.000 2.498 222 V HA 0.236 4.358 4.120 0.003 0.000 0.279 222 V C -1.963 174.066 176.094 -0.107 0.000 1.048 222 V CA -1.365 60.986 62.300 0.085 0.000 0.967 222 V CB 1.125 33.023 31.823 0.126 0.000 0.988 222 V HN 0.774 nan 8.190 nan 0.000 0.473 223 P HA 0.071 nan 4.420 nan 0.000 0.271 223 P C 1.044 178.279 177.300 -0.108 0.000 1.244 223 P CA -0.197 62.494 63.100 -0.681 0.000 0.793 223 P CB 0.492 31.933 31.700 -0.431 0.000 0.984 224 E N 1.001 121.195 120.200 -0.009 0.000 2.332 224 E HA -0.260 4.092 4.350 0.003 0.000 0.243 224 E C -0.518 176.148 176.600 0.111 0.000 1.088 224 E CA 2.557 59.038 56.400 0.135 0.000 1.048 224 E CB -2.635 27.142 29.700 0.129 0.000 0.911 224 E HN 0.520 nan 8.360 nan 0.000 0.487 225 P HA -0.191 nan 4.420 nan 0.000 0.212 225 P C 1.570 178.811 177.300 -0.099 0.000 1.174 225 P CA 1.820 64.879 63.100 -0.069 0.000 0.934 225 P CB -0.302 31.321 31.700 -0.129 0.000 0.791 226 F N -1.674 118.296 119.950 0.034 0.000 2.262 226 F HA 0.287 4.816 4.527 0.003 0.000 0.292 226 F C 1.823 177.714 175.800 0.153 0.000 1.081 226 F CA 0.977 59.022 58.000 0.074 0.000 1.355 226 F CB -1.296 37.736 39.000 0.053 0.000 1.069 226 F HN 0.055 nan 8.300 nan 0.000 0.506 227 G N -0.265 108.762 108.800 0.379 0.000 2.855 227 G HA2 0.340 4.302 3.960 0.003 0.000 0.352 227 G HA3 0.340 4.302 3.960 0.003 0.000 0.352 227 G C 0.259 175.354 174.900 0.325 0.000 1.415 227 G CA -0.403 44.894 45.100 0.329 0.000 0.871 227 G HN 1.363 nan 8.290 nan 0.000 0.543 228 G N -1.557 107.439 108.800 0.326 0.000 2.782 228 G HA2 0.475 4.437 3.960 0.003 0.000 0.228 228 G HA3 0.475 4.437 3.960 0.003 0.000 0.228 228 G C 0.314 175.307 174.900 0.156 0.000 1.372 228 G CA 1.010 46.199 45.100 0.149 0.000 0.862 228 G HN 2.870 nan 8.290 nan 0.000 0.547 229 A N -1.104 121.709 122.820 -0.013 0.000 2.435 229 A HA 0.916 5.238 4.320 0.003 0.000 0.296 229 A C -0.373 177.175 177.584 -0.059 0.000 1.147 229 A CA -0.463 51.591 52.037 0.030 0.000 0.775 229 A CB 1.446 20.518 19.000 0.120 0.000 1.340 229 A HN 1.365 nan 8.150 nan 0.000 0.427 230 I N 0.333 120.882 120.570 -0.035 0.000 2.608 230 I HA 0.457 4.629 4.170 0.003 0.000 0.295 230 I C -1.111 174.962 176.117 -0.073 0.000 1.049 230 I CA -0.441 60.829 61.300 -0.050 0.000 1.063 230 I CB 2.026 39.919 38.000 -0.178 0.000 1.248 230 I HN 0.457 nan 8.210 nan 0.000 0.424 231 I N 6.386 126.935 120.570 -0.036 0.000 2.439 231 I HA 0.362 4.534 4.170 0.003 0.000 0.283 231 I C -0.542 175.530 176.117 -0.076 0.000 1.023 231 I CA -0.668 60.600 61.300 -0.054 0.000 1.100 231 I CB 1.481 39.462 38.000 -0.031 0.000 1.238 231 I HN 0.235 nan 8.210 nan 0.000 0.445 232 I N 4.845 125.358 120.570 -0.095 0.000 2.440 232 I HA 0.614 4.786 4.170 0.003 0.000 0.294 232 I C 0.793 176.865 176.117 -0.076 0.000 0.995 232 I CA 0.075 61.314 61.300 -0.102 0.000 1.306 232 I CB 1.064 38.997 38.000 -0.111 0.000 1.407 232 I HN 0.690 nan 8.210 nan 0.000 0.501 233 G N 4.900 113.651 108.800 -0.082 0.000 2.976 233 G HA2 0.316 4.278 3.960 0.003 0.000 0.276 233 G HA3 0.316 4.278 3.960 0.003 0.000 0.276 233 G C -1.038 173.818 174.900 -0.075 0.000 1.207 233 G CA -0.189 44.872 45.100 -0.066 0.000 0.803 233 G HN 0.391 nan 8.290 nan 0.000 0.572 234 Q N 1.508 121.272 119.800 -0.060 0.000 2.509 234 Q HA 0.253 4.595 4.340 0.003 0.000 0.230 234 Q C 0.360 176.328 176.000 -0.054 0.000 1.089 234 Q CA 0.299 56.068 55.803 -0.058 0.000 0.901 234 Q CB 0.657 29.371 28.738 -0.041 0.000 1.208 234 Q HN 1.014 nan 8.270 nan 0.000 0.529 235 E N 0.310 120.468 120.200 -0.070 0.000 4.223 235 E HA -0.168 4.184 4.350 0.003 0.000 0.379 235 E C -0.963 175.601 176.600 -0.060 0.000 0.610 235 E CA 1.017 57.382 56.400 -0.059 0.000 1.397 235 E CB -1.287 28.392 29.700 -0.034 0.000 1.803 235 E HN 0.277 nan 8.360 nan 0.000 0.385 236 S N 0.647 116.308 115.700 -0.065 0.000 2.566 236 S HA 0.686 5.158 4.470 0.003 0.000 0.324 236 S C -0.421 174.132 174.600 -0.079 0.000 1.081 236 S CA -0.714 57.449 58.200 -0.061 0.000 1.105 236 S CB 0.603 63.780 63.200 -0.038 0.000 0.981 236 S HN 0.309 nan 8.310 nan 0.000 0.464 237 I N 4.980 125.492 120.570 -0.097 0.000 2.410 237 I HA 0.390 4.562 4.170 0.003 0.000 0.286 237 I C 0.068 176.106 176.117 -0.131 0.000 1.009 237 I CA -0.414 60.817 61.300 -0.114 0.000 1.111 237 I CB 2.109 40.028 38.000 -0.136 0.000 1.262 237 I HN 0.636 nan 8.210 nan 0.000 0.443 238 T N 2.050 116.532 114.554 -0.120 0.000 2.916 238 T HA 0.526 4.878 4.350 0.003 0.000 0.292 238 T C -1.065 173.514 174.700 -0.200 0.000 1.055 238 T CA -0.782 61.174 62.100 -0.239 0.000 1.009 238 T CB 2.187 70.886 68.868 -0.281 0.000 1.118 238 T HN 0.327 nan 8.240 nan 0.000 0.497 239 Y N 1.122 121.084 120.300 -0.564 0.000 2.446 239 Y HA 0.573 5.125 4.550 0.003 0.000 0.338 239 Y C -0.488 174.990 175.900 -0.704 0.000 1.055 239 Y CA -0.951 56.895 58.100 -0.424 0.000 1.101 239 Y CB 1.420 39.682 38.460 -0.331 0.000 1.221 239 Y HN 0.810 nan 8.280 nan 0.000 0.460 240 H N 5.312 123.812 119.070 -0.951 0.000 3.172 240 H HA 0.194 4.752 4.556 0.003 0.000 0.322 240 H C -1.188 173.393 175.328 -1.246 0.000 1.003 240 H CA -0.541 55.033 56.048 -0.790 0.000 1.466 240 H CB 1.317 30.839 29.762 -0.400 0.000 1.673 240 H HN 0.770 nan 8.280 nan 0.000 0.512 241 N N 2.496 120.553 118.700 -1.071 0.000 2.757 241 N HA 0.227 4.968 4.740 0.003 0.000 0.296 241 N C 1.103 175.990 175.510 -1.039 0.000 1.874 241 N CA 0.460 52.807 53.050 -1.171 0.000 0.885 241 N CB 0.357 38.557 38.487 -0.479 0.000 1.242 241 N HN 0.939 nan 8.380 nan 0.000 0.488 242 G N 1.580 109.479 108.800 -1.501 0.000 5.206 242 G HA2 -0.427 3.535 3.960 0.003 0.000 0.328 242 G HA3 -0.427 3.535 3.960 0.003 0.000 0.328 242 G C 0.626 175.407 174.900 -0.199 0.000 1.382 242 G CA 1.036 45.859 45.100 -0.462 0.000 0.994 242 G HN 0.538 nan 8.290 nan 0.000 0.800 243 D N 0.988 121.302 120.400 -0.143 0.000 2.338 243 D HA 0.321 4.963 4.640 0.003 0.000 0.208 243 D C 1.258 177.527 176.300 -0.052 0.000 0.997 243 D CA 0.887 54.850 54.000 -0.061 0.000 0.880 243 D CB 0.229 41.015 40.800 -0.022 0.000 0.980 243 D HN 0.392 nan 8.370 nan 0.000 0.509 244 K N 0.177 120.528 120.400 -0.082 0.000 2.168 244 K HA 0.343 4.664 4.320 0.003 0.000 0.258 244 K C -1.362 175.250 176.600 0.020 0.000 1.010 244 K CA -0.537 55.753 56.287 0.004 0.000 0.929 244 K CB 0.367 32.922 32.500 0.092 0.000 0.998 244 K HN 0.025 nan 8.250 nan 0.000 0.479 245 Y N 2.628 122.875 120.300 -0.088 0.000 2.264 245 Y HA 0.322 4.874 4.550 0.003 0.000 0.315 245 Y C -2.081 173.754 175.900 -0.109 0.000 1.262 245 Y CA -0.630 57.363 58.100 -0.178 0.000 1.176 245 Y CB 0.626 38.977 38.460 -0.181 0.000 1.283 245 Y HN 0.492 nan 8.280 nan 0.000 0.405 246 L N 4.827 125.785 121.223 -0.442 0.000 2.279 246 L HA 1.051 5.392 4.340 0.003 0.000 0.262 246 L C -0.848 175.697 176.870 -0.542 0.000 1.019 246 L CA -1.191 53.465 54.840 -0.306 0.000 0.823 246 L CB 2.353 44.307 42.059 -0.174 0.000 1.358 246 L HN 0.768 nan 8.230 nan 0.000 0.432 247 A N 2.191 124.839 122.820 -0.285 0.000 2.483 247 A HA 0.467 4.789 4.320 0.003 0.000 0.298 247 A C -0.944 176.570 177.584 -0.116 0.000 1.052 247 A CA -0.483 51.408 52.037 -0.244 0.000 0.978 247 A CB 0.269 19.125 19.000 -0.240 0.000 1.506 247 A HN 0.601 nan 8.150 nan 0.000 0.388 248 I N -0.851 119.653 120.570 -0.111 0.000 2.918 248 I HA 0.935 5.107 4.170 0.003 0.000 0.316 248 I C 0.411 176.489 176.117 -0.065 0.000 1.001 248 I CA -0.830 60.425 61.300 -0.074 0.000 1.142 248 I CB 2.326 40.280 38.000 -0.076 0.000 1.356 248 I HN 0.803 nan 8.210 nan 0.000 0.524 249 A N 2.719 125.511 122.820 -0.047 0.000 3.292 249 A HA 0.440 4.761 4.320 0.003 0.000 0.231 249 A C -2.467 175.098 177.584 -0.032 0.000 0.952 249 A CA -0.928 51.084 52.037 -0.041 0.000 1.044 249 A CB -0.674 18.311 19.000 -0.026 0.000 1.236 249 A HN 0.659 nan 8.150 nan 0.000 0.525 250 P HA 0.062 nan 4.420 nan 0.000 0.258 250 P C -2.266 175.031 177.300 -0.006 0.000 1.172 250 P CA -0.185 62.906 63.100 -0.015 0.000 0.762 250 P CB 0.740 32.430 31.700 -0.017 0.000 0.764 251 P HA -0.043 nan 4.420 nan 0.000 0.225 251 P C 1.558 178.881 177.300 0.039 0.000 1.148 251 P CA 0.872 63.984 63.100 0.019 0.000 0.779 251 P CB -0.142 31.573 31.700 0.024 0.000 0.780 252 I N -1.465 119.146 120.570 0.068 0.000 2.423 252 I HA -0.226 3.946 4.170 0.003 0.000 0.254 252 I C 1.792 178.003 176.117 0.158 0.000 1.151 252 I CA 1.037 62.423 61.300 0.144 0.000 1.421 252 I CB -0.590 37.555 38.000 0.242 0.000 1.079 252 I HN -0.050 nan 8.210 nan 0.000 0.431 253 I N 0.452 121.032 120.570 0.017 0.000 2.146 253 I HA -0.210 3.962 4.170 0.003 0.000 0.231 253 I C 2.330 178.437 176.117 -0.017 0.000 1.063 253 I CA 1.112 62.358 61.300 -0.091 0.000 1.340 253 I CB -1.516 36.381 38.000 -0.172 0.000 1.100 253 I HN 0.171 nan 8.210 nan 0.000 0.403 254 K N 0.659 121.045 120.400 -0.023 0.000 3.026 254 K HA -0.349 3.973 4.320 0.003 0.000 0.193 254 K C 1.925 178.522 176.600 -0.004 0.000 0.826 254 K CA 2.575 58.856 56.287 -0.010 0.000 0.869 254 K CB -1.127 31.377 32.500 0.007 0.000 1.598 254 K HN 0.571 nan 8.250 nan 0.000 0.580 255 Q N -0.548 119.260 119.800 0.014 0.000 2.014 255 Q HA -0.079 4.263 4.340 0.003 0.000 0.207 255 Q C 1.231 177.227 176.000 -0.006 0.000 0.993 255 Q CA 1.424 57.232 55.803 0.008 0.000 0.850 255 Q CB -0.088 28.668 28.738 0.030 0.000 0.916 255 Q HN 0.226 nan 8.270 nan 0.000 0.417 256 S N -1.114 114.591 115.700 0.009 0.000 2.634 256 S HA 0.338 4.810 4.470 0.003 0.000 0.296 256 S C -0.926 173.661 174.600 -0.023 0.000 1.104 256 S CA -0.811 57.383 58.200 -0.010 0.000 0.920 256 S CB 1.952 65.157 63.200 0.008 0.000 1.111 256 S HN 0.099 nan 8.310 nan 0.000 0.493 257 T N 2.760 117.293 114.554 -0.035 0.000 2.856 257 T HA 0.416 4.768 4.350 0.003 0.000 0.292 257 T C 0.003 174.679 174.700 -0.040 0.000 0.980 257 T CA -0.150 61.923 62.100 -0.045 0.000 1.091 257 T CB 0.107 68.953 68.868 -0.037 0.000 0.936 257 T HN 0.469 nan 8.240 nan 0.000 0.503 258 I N 4.030 124.557 120.570 -0.072 0.000 2.363 258 I HA 0.069 4.241 4.170 0.003 0.000 0.292 258 I C 1.461 177.569 176.117 -0.015 0.000 1.075 258 I CA -0.248 61.013 61.300 -0.064 0.000 1.333 258 I CB 0.788 38.699 38.000 -0.149 0.000 1.415 258 I HN 0.549 nan 8.210 nan 0.000 0.502 259 V N 3.395 123.317 119.914 0.013 0.000 2.949 259 V HA 0.099 4.221 4.120 0.003 0.000 0.245 259 V C 0.699 176.815 176.094 0.037 0.000 1.086 259 V CA 0.188 62.502 62.300 0.022 0.000 1.097 259 V CB -0.209 31.622 31.823 0.015 0.000 0.762 259 V HN 0.815 nan 8.190 nan 0.000 0.470 260 C N 1.303 120.631 119.300 0.047 0.000 2.971 260 C HA 0.988 5.450 4.460 0.003 0.000 0.310 260 C C -0.436 174.612 174.990 0.096 0.000 1.285 260 C CA -0.177 58.856 59.018 0.026 0.000 1.593 260 C CB 0.972 28.709 27.740 -0.003 0.000 2.076 260 C HN 0.906 nan 8.230 nan 0.000 0.472 261 H N -0.264 118.846 119.070 0.067 0.000 3.017 261 H HA 0.820 5.378 4.556 0.004 0.000 0.346 261 H C -1.417 173.997 175.328 0.144 0.000 1.286 261 H CA -0.438 55.667 56.048 0.095 0.000 1.120 261 H CB 1.120 30.917 29.762 0.059 0.000 1.860 261 H HN 0.910 nan 8.280 nan 0.000 0.542 262 N N 0.241 119.185 118.700 0.406 0.000 2.452 262 N HA 0.205 4.947 4.740 0.003 0.000 0.277 262 N C -1.632 174.067 175.510 0.316 0.000 1.078 262 N CA -0.868 52.381 53.050 0.332 0.000 0.947 262 N CB 2.220 40.817 38.487 0.183 0.000 1.655 262 N HN 0.862 nan 8.380 nan 0.000 0.490 263 R N 2.986 123.615 120.500 0.215 0.000 2.370 263 R HA 0.270 4.612 4.340 0.003 0.000 0.309 263 R C -0.193 175.978 176.300 -0.214 0.000 1.059 263 R CA -0.207 55.722 56.100 -0.285 0.000 0.981 263 R CB 0.380 30.543 30.300 -0.228 0.000 0.972 263 R HN 0.444 nan 8.270 nan 0.000 0.437 264 V N 2.790 122.483 119.914 -0.369 0.000 2.500 264 V HA -0.011 4.111 4.120 0.003 0.000 0.243 264 V C 0.252 176.150 176.094 -0.327 0.000 1.039 264 V CA 1.204 63.259 62.300 -0.408 0.000 1.053 264 V CB -0.179 31.289 31.823 -0.592 0.000 0.695 264 V HN 0.787 nan 8.190 nan 0.000 0.463 265 D N 0.143 120.352 120.400 -0.318 0.000 2.192 265 D HA 0.291 4.933 4.640 0.003 0.000 0.246 265 D C -2.010 174.198 176.300 -0.153 0.000 1.042 265 D CA -1.841 52.044 54.000 -0.191 0.000 0.847 265 D CB 1.604 42.305 40.800 -0.166 0.000 1.186 265 D HN 0.035 nan 8.370 nan 0.000 0.461 266 P HA -0.124 nan 4.420 nan 0.000 0.229 266 P C 0.472 177.756 177.300 -0.027 0.000 1.150 266 P CA 1.073 64.163 63.100 -0.016 0.000 0.765 266 P CB 0.185 31.903 31.700 0.030 0.000 0.783 267 N N -3.339 115.344 118.700 -0.029 0.000 2.197 267 N HA 0.263 5.005 4.740 0.003 0.000 0.201 267 N C 1.147 176.713 175.510 0.093 0.000 1.148 267 N CA 0.480 53.556 53.050 0.044 0.000 0.883 267 N CB 0.459 39.000 38.487 0.090 0.000 1.012 267 N HN 0.102 nan 8.380 nan 0.000 0.507 268 G N -0.054 108.687 108.800 -0.098 0.000 2.163 268 G HA2 -0.303 3.659 3.960 0.003 0.000 0.207 268 G HA3 -0.303 3.659 3.960 0.003 0.000 0.207 268 G C 0.860 175.593 174.900 -0.279 0.000 2.263 268 G CA 0.170 45.149 45.100 -0.201 0.000 1.616 268 G HN 0.190 nan 8.290 nan 0.000 0.521 269 S N 0.511 116.119 115.700 -0.154 0.000 2.830 269 S HA -0.350 4.122 4.470 0.003 0.000 0.390 269 S C 1.089 175.618 174.600 -0.119 0.000 1.406 269 S CA 2.537 60.686 58.200 -0.085 0.000 1.397 269 S CB -0.514 62.678 63.200 -0.014 0.000 1.403 269 S HN 0.972 nan 8.310 nan 0.000 0.467 270 R N -0.295 120.082 120.500 -0.206 0.000 2.599 270 R HA 0.699 5.041 4.340 0.003 0.000 0.295 270 R C -1.605 174.511 176.300 -0.307 0.000 0.963 270 R CA -0.372 55.620 56.100 -0.181 0.000 0.883 270 R CB 1.425 31.607 30.300 -0.198 0.000 1.171 270 R HN 0.290 nan 8.270 nan 0.000 0.450 271 Y N 1.153 121.393 120.300 -0.100 0.000 2.524 271 Y HA 0.397 4.949 4.550 0.003 0.000 0.347 271 Y C -0.265 175.629 175.900 -0.011 0.000 1.005 271 Y CA -0.889 57.182 58.100 -0.048 0.000 1.025 271 Y CB 1.980 40.405 38.460 -0.057 0.000 1.275 271 Y HN 0.221 nan 8.280 nan 0.000 0.460 272 L N 3.991 125.341 121.223 0.212 0.000 2.343 272 L HA 0.563 4.905 4.340 0.003 0.000 0.275 272 L C -0.820 176.175 176.870 0.208 0.000 1.056 272 L CA -0.747 54.195 54.840 0.170 0.000 0.804 272 L CB 1.295 43.441 42.059 0.145 0.000 1.203 272 L HN 0.460 nan 8.230 nan 0.000 0.440 273 L N 1.364 122.710 121.223 0.205 0.000 2.362 273 L HA 0.637 4.979 4.340 0.003 0.000 0.271 273 L C 0.113 177.131 176.870 0.247 0.000 1.002 273 L CA -0.592 54.362 54.840 0.191 0.000 0.818 273 L CB 2.169 44.281 42.059 0.088 0.000 1.298 273 L HN 0.636 nan 8.230 nan 0.000 0.420 274 G N 0.472 109.376 108.800 0.172 0.000 2.422 274 G HA2 0.410 4.372 3.960 0.003 0.000 0.317 274 G HA3 0.410 4.372 3.960 0.003 0.000 0.317 274 G C -1.242 173.748 174.900 0.151 0.000 1.210 274 G CA -0.243 44.953 45.100 0.160 0.000 0.930 274 G HN 0.571 nan 8.290 nan 0.000 0.468 275 D N 1.743 122.276 120.400 0.221 0.000 2.354 275 D HA 0.247 4.889 4.640 0.003 0.000 0.247 275 D C 1.372 177.719 176.300 0.078 0.000 1.138 275 D CA -0.512 53.605 54.000 0.195 0.000 0.958 275 D CB 1.293 42.288 40.800 0.324 0.000 1.144 275 D HN 0.213 nan 8.370 nan 0.000 0.458 276 M N 0.807 120.425 119.600 0.031 0.000 2.618 276 M HA 0.080 4.562 4.480 0.003 0.000 0.240 276 M C 0.418 176.683 176.300 -0.058 0.000 1.123 276 M CA 0.818 56.103 55.300 -0.026 0.000 1.060 276 M CB 0.272 32.834 32.600 -0.063 0.000 1.535 276 M HN 0.435 nan 8.290 nan 0.000 0.507 277 E N -1.259 118.930 120.200 -0.018 0.000 2.562 277 E HA 0.249 4.601 4.350 0.003 0.000 0.214 277 E C 0.809 177.410 176.600 0.003 0.000 0.979 277 E CA 0.390 56.772 56.400 -0.031 0.000 1.002 277 E CB 0.934 30.616 29.700 -0.030 0.000 1.048 277 E HN 0.564 nan 8.360 nan 0.000 0.488 278 G N 2.266 111.078 108.800 0.020 0.000 2.163 278 G HA2 -0.240 3.722 3.960 0.003 0.000 0.213 278 G HA3 -0.240 3.722 3.960 0.003 0.000 0.213 278 G C 0.094 174.992 174.900 -0.004 0.000 0.991 278 G CA -0.528 44.580 45.100 0.014 0.000 0.653 278 G HN 0.066 nan 8.290 nan 0.000 0.518 279 R N -0.351 120.152 120.500 0.005 0.000 2.438 279 R HA 0.541 4.883 4.340 0.003 0.000 0.287 279 R C -0.299 175.930 176.300 -0.118 0.000 1.077 279 R CA -0.472 55.548 56.100 -0.133 0.000 1.034 279 R CB 1.141 31.305 30.300 -0.228 0.000 0.993 279 R HN 0.200 nan 8.270 nan 0.000 0.459 280 L N 4.048 125.129 121.223 -0.236 0.000 2.296 280 L HA 0.469 4.811 4.340 0.003 0.000 0.286 280 L C -1.309 175.408 176.870 -0.255 0.000 1.023 280 L CA -0.105 54.677 54.840 -0.096 0.000 0.812 280 L CB 0.724 42.754 42.059 -0.048 0.000 1.223 280 L HN 0.409 nan 8.230 nan 0.000 0.421 281 F N 4.529 124.476 119.950 -0.004 0.000 2.631 281 F HA 0.713 5.242 4.527 0.003 0.000 0.350 281 F C 0.096 175.878 175.800 -0.030 0.000 1.080 281 F CA -0.854 57.133 58.000 -0.022 0.000 1.026 281 F CB 1.325 40.315 39.000 -0.017 0.000 1.347 281 F HN 0.209 nan 8.300 nan 0.000 0.501 282 M N 2.100 121.805 119.600 0.174 0.000 2.267 282 M HA 0.350 4.832 4.480 0.003 0.000 0.289 282 M C -1.895 174.439 176.300 0.056 0.000 1.043 282 M CA -0.654 54.682 55.300 0.060 0.000 0.928 282 M CB 2.012 34.584 32.600 -0.047 0.000 1.613 282 M HN 0.484 nan 8.290 nan 0.000 0.450 283 L N 5.556 126.813 121.223 0.056 0.000 2.287 283 L HA 0.688 5.030 4.340 0.003 0.000 0.287 283 L C -1.622 175.258 176.870 0.017 0.000 1.022 283 L CA -0.216 54.636 54.840 0.021 0.000 0.814 283 L CB 1.105 43.164 42.059 0.000 0.000 1.217 283 L HN 0.614 nan 8.230 nan 0.000 0.420 284 L N 5.549 126.755 121.223 -0.028 0.000 2.342 284 L HA 0.604 4.946 4.340 0.003 0.000 0.271 284 L C -0.859 175.962 176.870 -0.082 0.000 1.008 284 L CA -0.402 54.410 54.840 -0.046 0.000 0.818 284 L CB 1.768 43.799 42.059 -0.047 0.000 1.296 284 L HN 0.396 nan 8.230 nan 0.000 0.427 285 L N 1.825 122.986 121.223 -0.103 0.000 2.343 285 L HA 0.449 4.791 4.340 0.003 0.000 0.278 285 L C -0.390 176.472 176.870 -0.014 0.000 0.996 285 L CA -0.528 54.217 54.840 -0.159 0.000 0.831 285 L CB 1.692 43.487 42.059 -0.440 0.000 1.232 285 L HN 0.637 nan 8.230 nan 0.000 0.413 286 E N 4.220 124.416 120.200 -0.008 0.000 2.166 286 E HA 0.102 4.454 4.350 0.003 0.000 0.279 286 E C -0.468 176.185 176.600 0.087 0.000 1.095 286 E CA -0.320 56.097 56.400 0.029 0.000 0.888 286 E CB 0.822 30.516 29.700 -0.011 0.000 1.041 286 E HN 0.400 nan 8.360 nan 0.000 0.414 287 K N 2.783 123.245 120.400 0.103 0.000 2.234 287 K HA 0.258 4.580 4.320 0.003 0.000 0.282 287 K C -0.287 176.291 176.600 -0.038 0.000 1.039 287 K CA -0.503 55.798 56.287 0.023 0.000 0.928 287 K CB 1.419 33.875 32.500 -0.073 0.000 1.039 287 K HN 0.315 nan 8.250 nan 0.000 0.470 288 E N 3.114 123.276 120.200 -0.062 0.000 2.063 288 E HA 0.014 4.366 4.350 0.003 0.000 0.265 288 E C -1.097 175.461 176.600 -0.070 0.000 0.919 288 E CA -0.635 55.733 56.400 -0.053 0.000 0.756 288 E CB 0.977 30.652 29.700 -0.041 0.000 1.120 288 E HN 0.609 nan 8.360 nan 0.000 0.414 289 E N 4.250 124.413 120.200 -0.062 0.000 2.161 289 E HA -0.067 4.285 4.350 0.003 0.000 0.263 289 E C 0.468 177.041 176.600 -0.045 0.000 1.185 289 E CA 0.358 56.722 56.400 -0.060 0.000 0.938 289 E CB 0.284 29.954 29.700 -0.049 0.000 1.023 289 E HN 0.491 nan 8.360 nan 0.000 0.433 290 Q N 3.350 123.122 119.800 -0.046 0.000 0.493 290 Q HA -0.202 4.140 4.340 0.003 0.000 0.913 290 Q C 1.254 177.237 176.000 -0.028 0.000 0.849 290 Q CA 2.171 57.954 55.803 -0.033 0.000 0.884 290 Q CB -0.150 28.570 28.738 -0.030 0.000 0.966 290 Q HN 0.759 nan 8.270 nan 0.000 0.139 291 M N -2.006 117.580 119.600 -0.023 0.000 2.330 291 M HA 0.314 4.796 4.480 0.003 0.000 0.207 291 M C -0.610 175.679 176.300 -0.018 0.000 1.622 291 M CA 0.134 55.423 55.300 -0.019 0.000 1.045 291 M CB 0.948 33.539 32.600 -0.015 0.000 1.461 291 M HN -0.006 nan 8.290 nan 0.000 0.564 292 D N 1.939 122.329 120.400 -0.017 0.000 2.473 292 D HA 0.525 5.167 4.640 0.003 0.000 0.253 292 D C -0.417 175.874 176.300 -0.015 0.000 1.233 292 D CA 0.351 54.342 54.000 -0.014 0.000 0.908 292 D CB 1.770 42.564 40.800 -0.010 0.000 1.170 292 D HN 0.608 nan 8.370 nan 0.000 0.558 293 G N 2.508 111.298 108.800 -0.018 0.000 3.039 293 G HA2 0.201 4.163 3.960 0.003 0.000 0.686 293 G HA3 0.201 4.163 3.960 0.003 0.000 0.686 293 G C 0.241 175.127 174.900 -0.024 0.000 1.066 293 G CA -0.254 44.836 45.100 -0.017 0.000 0.774 293 G HN 1.078 nan 8.290 nan 0.000 0.591 294 T N -3.886 110.651 114.554 -0.028 0.000 0.541 294 T HA 0.230 4.582 4.350 0.003 0.000 0.774 294 T C 0.578 175.239 174.700 -0.065 0.000 0.992 294 T CA 0.806 62.881 62.100 -0.041 0.000 4.077 294 T CB -1.096 67.756 68.868 -0.026 0.000 2.303 294 T HN 2.610 nan 8.240 nan 0.000 0.398 295 V N -2.892 116.964 119.914 -0.096 0.000 2.711 295 V HA 0.859 4.981 4.120 0.003 0.000 0.304 295 V C 0.128 176.129 176.094 -0.155 0.000 1.097 295 V CA -0.003 62.213 62.300 -0.141 0.000 0.906 295 V CB 1.511 33.205 31.823 -0.215 0.000 1.015 295 V HN 1.562 nan 8.190 nan 0.000 0.427 296 T N 3.809 118.296 114.554 -0.112 0.000 2.893 296 T HA 0.651 5.003 4.350 0.003 0.000 0.279 296 T C -0.596 174.065 174.700 -0.066 0.000 0.991 296 T CA -0.772 61.287 62.100 -0.070 0.000 0.950 296 T CB 1.515 70.364 68.868 -0.032 0.000 1.223 296 T HN 0.919 nan 8.240 nan 0.000 0.585 297 L N 3.270 124.481 121.223 -0.019 0.000 2.283 297 L HA 0.426 4.768 4.340 0.003 0.000 0.281 297 L C 1.244 178.072 176.870 -0.071 0.000 1.033 297 L CA -0.561 54.269 54.840 -0.017 0.000 0.848 297 L CB 0.846 42.766 42.059 -0.231 0.000 1.226 297 L HN 0.683 nan 8.230 nan 0.000 0.429 298 K N 2.497 122.873 120.400 -0.040 0.000 1.984 298 K HA -0.037 4.285 4.320 0.003 0.000 0.209 298 K C 0.054 176.616 176.600 -0.064 0.000 1.046 298 K CA 1.396 57.657 56.287 -0.044 0.000 0.934 298 K CB 0.276 32.758 32.500 -0.029 0.000 0.717 298 K HN 0.683 nan 8.250 nan 0.000 0.438 299 D N -1.712 118.645 120.400 -0.072 0.000 2.643 299 D HA 0.427 5.069 4.640 0.003 0.000 0.283 299 D C -1.515 174.721 176.300 -0.107 0.000 1.242 299 D CA -0.511 53.436 54.000 -0.087 0.000 0.863 299 D CB 1.234 41.999 40.800 -0.058 0.000 1.382 299 D HN 0.092 nan 8.370 nan 0.000 0.444 300 L N -1.025 120.133 121.223 -0.109 0.000 2.472 300 L HA 0.819 5.161 4.340 0.003 0.000 0.260 300 L C -0.953 175.867 176.870 -0.083 0.000 0.963 300 L CA -1.062 53.711 54.840 -0.113 0.000 0.829 300 L CB 2.250 44.214 42.059 -0.160 0.000 1.348 300 L HN 0.494 nan 8.230 nan 0.000 0.408 301 R N 1.257 121.718 120.500 -0.065 0.000 2.836 301 R HA 0.916 5.258 4.340 0.003 0.000 0.269 301 R C -1.836 174.445 176.300 -0.031 0.000 1.010 301 R CA -0.970 55.103 56.100 -0.044 0.000 0.930 301 R CB 2.310 32.593 30.300 -0.029 0.000 1.218 301 R HN 0.402 nan 8.270 nan 0.000 0.473 302 V N 1.081 120.990 119.914 -0.008 0.000 2.513 302 V HA 0.398 4.520 4.120 0.003 0.000 0.299 302 V C -0.629 175.509 176.094 0.073 0.000 1.035 302 V CA -0.585 61.737 62.300 0.037 0.000 0.889 302 V CB 1.744 33.585 31.823 0.031 0.000 0.988 302 V HN 0.785 nan 8.190 nan 0.000 0.440 303 E N 3.613 123.868 120.200 0.091 0.000 2.260 303 E HA 0.337 4.689 4.350 0.003 0.000 0.266 303 E C -1.280 175.321 176.600 0.002 0.000 0.887 303 E CA -0.952 55.466 56.400 0.029 0.000 0.777 303 E CB 2.621 32.281 29.700 -0.067 0.000 1.205 303 E HN 0.465 nan 8.360 nan 0.000 0.414 304 L N 3.708 124.907 121.223 -0.040 0.000 2.485 304 L HA 0.059 4.401 4.340 0.003 0.000 0.275 304 L C -0.086 176.673 176.870 -0.185 0.000 1.207 304 L CA 0.811 55.501 54.840 -0.251 0.000 0.855 304 L CB 0.262 42.183 42.059 -0.231 0.000 1.114 304 L HN 0.772 nan 8.230 nan 0.000 0.485 305 L N 3.644 124.737 121.223 -0.216 0.000 2.526 305 L HA 0.535 4.877 4.340 0.003 0.000 0.210 305 L C 1.020 177.915 176.870 0.041 0.000 1.048 305 L CA 0.469 55.250 54.840 -0.098 0.000 0.852 305 L CB 0.052 42.039 42.059 -0.120 0.000 1.128 305 L HN 0.878 nan 8.230 nan 0.000 0.482 306 G N -0.553 108.200 108.800 -0.077 0.000 2.360 306 G HA2 0.121 4.083 3.960 0.003 0.000 0.276 306 G HA3 0.121 4.083 3.960 0.003 0.000 0.276 306 G C -1.879 172.968 174.900 -0.087 0.000 1.256 306 G CA -0.579 44.493 45.100 -0.047 0.000 0.890 306 G HN -0.102 nan 8.290 nan 0.000 0.486 307 E N -0.211 119.960 120.200 -0.049 0.000 2.199 307 E HA 0.680 5.032 4.350 0.003 0.000 0.269 307 E C 0.023 176.608 176.600 -0.025 0.000 0.899 307 E CA -0.343 56.032 56.400 -0.042 0.000 0.772 307 E CB 1.899 31.582 29.700 -0.029 0.000 1.155 307 E HN 0.807 nan 8.360 nan 0.000 0.408 308 T N -0.488 114.052 114.554 -0.022 0.000 2.645 308 T HA 0.491 4.843 4.350 0.003 0.000 0.273 308 T C -0.097 174.595 174.700 -0.014 0.000 0.960 308 T CA -0.845 61.242 62.100 -0.022 0.000 1.051 308 T CB 1.050 69.900 68.868 -0.030 0.000 1.366 308 T HN 0.246 nan 8.240 nan 0.000 0.536 309 S N 0.214 115.899 115.700 -0.025 0.000 2.603 309 S HA 0.414 4.886 4.470 0.003 0.000 0.268 309 S C 0.501 175.097 174.600 -0.007 0.000 1.317 309 S CA -0.772 57.419 58.200 -0.014 0.000 1.012 309 S CB -0.207 62.975 63.200 -0.030 0.000 0.926 309 S HN 0.580 nan 8.310 nan 0.000 0.539 310 I N 2.241 122.820 120.570 0.015 0.000 2.752 310 I HA 0.011 4.183 4.170 0.003 0.000 0.286 310 I C 0.794 176.914 176.117 0.006 0.000 1.180 310 I CA -0.114 61.200 61.300 0.024 0.000 1.404 310 I CB -0.397 37.640 38.000 0.061 0.000 1.389 310 I HN 0.609 nan 8.210 nan 0.000 0.549 311 A N 6.775 129.594 122.820 -0.001 0.000 2.316 311 A HA 0.311 4.633 4.320 0.003 0.000 0.284 311 A C 0.810 178.390 177.584 -0.006 0.000 1.115 311 A CA -0.359 51.666 52.037 -0.020 0.000 0.812 311 A CB 1.109 20.096 19.000 -0.022 0.000 1.064 311 A HN 0.775 nan 8.150 nan 0.000 0.489 312 E N 0.104 120.295 120.200 -0.016 0.000 2.288 312 E HA 0.094 4.446 4.350 0.003 0.000 0.200 312 E C -0.050 176.546 176.600 -0.006 0.000 0.880 312 E CA 0.566 56.964 56.400 -0.004 0.000 0.971 312 E CB 0.630 30.330 29.700 -0.000 0.000 0.954 312 E HN 0.664 nan 8.360 nan 0.000 0.489 313 c N 1.055 119.648 118.600 -0.011 0.000 2.493 313 c HA 0.728 5.300 4.570 0.003 0.000 0.326 313 c C -1.226 172.857 174.090 -0.011 0.000 1.200 313 c CA -0.619 55.716 56.329 0.010 0.000 1.739 313 c CB 0.364 42.918 42.510 0.072 0.000 2.300 313 c HN 0.245 nan 8.230 nan 0.000 0.500 314 L N 4.017 125.256 121.223 0.028 0.000 2.476 314 L HA 0.588 4.930 4.340 0.003 0.000 0.269 314 L C -0.359 176.577 176.870 0.110 0.000 0.965 314 L CA 0.348 55.215 54.840 0.044 0.000 0.845 314 L CB 2.093 44.182 42.059 0.051 0.000 1.259 314 L HN 0.844 nan 8.230 nan 0.000 0.403 315 T N 3.307 117.959 114.554 0.163 0.000 2.881 315 T HA 0.306 4.658 4.350 0.003 0.000 0.291 315 T C -1.139 173.667 174.700 0.177 0.000 0.990 315 T CA -0.374 61.834 62.100 0.181 0.000 0.976 315 T CB 0.832 69.811 68.868 0.185 0.000 0.970 315 T HN 0.256 nan 8.240 nan 0.000 0.438 316 Y N 4.079 124.419 120.300 0.068 0.000 2.377 316 Y HA 0.389 4.942 4.550 0.004 0.000 0.330 316 Y C 0.413 176.336 175.900 0.039 0.000 1.108 316 Y CA -0.454 57.676 58.100 0.049 0.000 1.308 316 Y CB 0.336 38.812 38.460 0.026 0.000 1.216 316 Y HN 0.639 nan 8.280 nan 0.000 0.518 317 L N 2.882 123.738 121.223 -0.611 0.000 2.370 317 L HA 0.320 4.662 4.340 0.003 0.000 0.191 317 L C -0.179 176.403 176.870 -0.480 0.000 1.203 317 L CA 0.262 54.864 54.840 -0.398 0.000 0.825 317 L CB 0.023 41.929 42.059 -0.255 0.000 1.048 317 L HN 0.485 nan 8.230 nan 0.000 0.487 318 D N -2.483 117.566 120.400 -0.586 0.000 2.769 318 D HA 0.086 4.728 4.640 0.003 0.000 0.309 318 D C -0.861 175.320 176.300 -0.198 0.000 1.315 318 D CA -0.595 53.236 54.000 -0.282 0.000 0.780 318 D CB 0.828 41.568 40.800 -0.100 0.000 1.312 318 D HN 0.189 nan 8.370 nan 0.000 0.437 319 N N 0.397 119.097 118.700 -0.000 0.000 2.701 319 N HA -0.276 4.466 4.740 0.003 0.000 0.257 319 N C 0.640 176.182 175.510 0.053 0.000 0.969 319 N CA 1.079 54.154 53.050 0.041 0.000 0.786 319 N CB -0.791 37.702 38.487 0.009 0.000 0.917 319 N HN 0.732 nan 8.380 nan 0.000 0.541 320 G N -1.241 107.657 108.800 0.163 0.000 2.198 320 G HA2 -0.280 3.682 3.960 0.003 0.000 0.260 320 G HA3 -0.280 3.682 3.960 0.003 0.000 0.260 320 G C 0.004 174.946 174.900 0.070 0.000 1.025 320 G CA 0.349 45.591 45.100 0.236 0.000 0.769 320 G HN 0.424 nan 8.290 nan 0.000 0.507 321 V N -0.454 119.354 119.914 -0.177 0.000 2.547 321 V HA 0.770 4.892 4.120 0.003 0.000 0.299 321 V C 0.395 176.365 176.094 -0.207 0.000 1.040 321 V CA -0.854 61.360 62.300 -0.142 0.000 0.913 321 V CB 2.031 33.778 31.823 -0.127 0.000 0.992 321 V HN 0.287 nan 8.190 nan 0.000 0.449 322 V N 4.013 123.911 119.914 -0.027 0.000 2.841 322 V HA 0.470 4.592 4.120 0.003 0.000 0.310 322 V C -1.019 175.132 176.094 0.095 0.000 1.090 322 V CA -0.632 61.693 62.300 0.042 0.000 0.930 322 V CB 2.080 33.971 31.823 0.113 0.000 1.014 322 V HN 0.728 nan 8.190 nan 0.000 0.425 323 F N 4.810 124.754 119.950 -0.010 0.000 2.404 323 F HA 0.701 5.230 4.527 0.004 0.000 0.354 323 F C -0.340 175.477 175.800 0.029 0.000 1.122 323 F CA -0.595 57.410 58.000 0.009 0.000 1.080 323 F CB 1.372 40.347 39.000 -0.041 0.000 1.131 323 F HN 0.239 nan 8.300 nan 0.000 0.471 324 V N 6.467 125.936 119.914 -0.742 0.000 2.318 324 V HA 0.441 4.563 4.120 0.003 0.000 0.271 324 V C 0.620 176.172 176.094 -0.903 0.000 1.030 324 V CA -0.590 61.353 62.300 -0.595 0.000 0.844 324 V CB 0.798 32.457 31.823 -0.273 0.000 1.015 324 V HN 0.982 nan 8.190 nan 0.000 0.460 325 G N 3.049 111.432 108.800 -0.695 0.000 2.338 325 G HA2 0.440 4.402 3.960 0.003 0.000 0.295 325 G HA3 0.440 4.402 3.960 0.003 0.000 0.295 325 G C -0.114 174.697 174.900 -0.148 0.000 1.132 325 G CA -0.087 44.791 45.100 -0.371 0.000 0.922 325 G HN 0.637 nan 8.290 nan 0.000 0.427 326 S N 1.317 116.962 115.700 -0.093 0.000 2.578 326 S HA 0.524 4.996 4.470 0.003 0.000 0.301 326 S C 1.067 175.665 174.600 -0.002 0.000 1.091 326 S CA -0.834 57.344 58.200 -0.037 0.000 1.032 326 S CB 1.904 65.085 63.200 -0.032 0.000 1.064 326 S HN 0.678 nan 8.310 nan 0.000 0.508 327 R N 2.138 122.641 120.500 0.005 0.000 2.310 327 R HA 0.390 4.732 4.340 0.003 0.000 0.199 327 R C 0.980 177.284 176.300 0.006 0.000 0.891 327 R CA 0.352 56.457 56.100 0.008 0.000 1.060 327 R CB -0.084 30.221 30.300 0.009 0.000 1.188 327 R HN 0.692 nan 8.270 nan 0.000 0.607 328 L N -0.163 121.070 121.223 0.017 0.000 2.554 328 L HA 0.414 4.756 4.340 0.003 0.000 0.225 328 L C 0.910 177.776 176.870 -0.007 0.000 1.104 328 L CA 0.115 54.962 54.840 0.010 0.000 0.866 328 L CB 1.118 43.219 42.059 0.070 0.000 1.047 328 L HN 0.172 nan 8.230 nan 0.000 0.468 329 G N -1.787 107.012 108.800 -0.003 0.000 2.721 329 G HA2 0.312 4.274 3.960 0.003 0.000 0.296 329 G HA3 0.312 4.274 3.960 0.003 0.000 0.296 329 G C -1.665 173.232 174.900 -0.005 0.000 1.383 329 G CA -0.596 44.495 45.100 -0.015 0.000 0.788 329 G HN -0.224 nan 8.290 nan 0.000 0.500 330 D N 0.371 120.766 120.400 -0.008 0.000 2.400 330 D HA 0.388 5.030 4.640 0.003 0.000 0.238 330 D C 0.657 176.974 176.300 0.027 0.000 1.157 330 D CA 0.534 54.547 54.000 0.022 0.000 0.889 330 D CB 1.162 41.965 40.800 0.005 0.000 1.199 330 D HN 0.175 nan 8.370 nan 0.000 0.436 331 S N 0.279 116.040 115.700 0.102 0.000 2.693 331 S HA 0.514 4.986 4.470 0.003 0.000 0.276 331 S C 0.117 174.803 174.600 0.143 0.000 1.192 331 S CA -0.817 57.423 58.200 0.068 0.000 0.994 331 S CB 1.339 64.612 63.200 0.121 0.000 1.012 331 S HN 0.475 nan 8.310 nan 0.000 0.550 332 Q N -0.133 119.670 119.800 0.005 0.000 2.590 332 Q HA 0.654 4.996 4.340 0.003 0.000 0.295 332 Q C -2.073 173.960 176.000 0.054 0.000 0.973 332 Q CA -1.031 54.760 55.803 -0.019 0.000 0.768 332 Q CB 0.963 29.637 28.738 -0.107 0.000 1.479 332 Q HN 0.375 nan 8.270 nan 0.000 0.419 333 L N 1.324 122.566 121.223 0.031 0.000 2.305 333 L HA 0.656 4.998 4.340 0.003 0.000 0.284 333 L C -1.303 175.570 176.870 0.005 0.000 1.013 333 L CA -0.653 54.254 54.840 0.112 0.000 0.819 333 L CB 1.844 43.993 42.059 0.149 0.000 1.227 333 L HN 0.649 nan 8.230 nan 0.000 0.417 334 V N 3.840 123.764 119.914 0.017 0.000 2.823 334 V HA 0.574 4.696 4.120 0.003 0.000 0.312 334 V C -0.580 175.527 176.094 0.022 0.000 1.072 334 V CA -0.970 61.334 62.300 0.005 0.000 0.937 334 V CB 2.358 34.182 31.823 0.001 0.000 1.013 334 V HN 0.711 nan 8.190 nan 0.000 0.430 335 K N 3.994 124.408 120.400 0.023 0.000 2.206 335 K HA 0.608 4.930 4.320 0.003 0.000 0.264 335 K C -1.323 175.317 176.600 0.067 0.000 0.967 335 K CA -0.169 56.141 56.287 0.039 0.000 0.844 335 K CB 1.166 33.681 32.500 0.026 0.000 1.099 335 K HN 0.585 nan 8.250 nan 0.000 0.441 336 L N 4.942 126.224 121.223 0.099 0.000 2.259 336 L HA 0.348 4.690 4.340 0.003 0.000 0.288 336 L C -0.096 176.853 176.870 0.131 0.000 1.051 336 L CA -0.650 54.264 54.840 0.124 0.000 0.824 336 L CB 0.766 42.908 42.059 0.137 0.000 1.206 336 L HN 0.666 nan 8.230 nan 0.000 0.429 337 N N 1.269 120.056 118.700 0.146 0.000 2.524 337 N HA 0.116 4.858 4.740 0.003 0.000 0.283 337 N C 1.147 176.787 175.510 0.217 0.000 1.142 337 N CA -0.241 52.886 53.050 0.129 0.000 0.984 337 N CB 2.367 40.895 38.487 0.068 0.000 1.155 337 N HN 0.381 nan 8.380 nan 0.000 0.467 338 V N -1.177 118.831 119.914 0.157 0.000 2.358 338 V HA -0.049 4.073 4.120 0.003 0.000 0.246 338 V C 0.441 176.669 176.094 0.224 0.000 1.047 338 V CA 1.336 63.750 62.300 0.189 0.000 1.035 338 V CB -0.256 31.627 31.823 0.101 0.000 0.658 338 V HN 0.448 nan 8.190 nan 0.000 0.452 339 D N 2.230 122.660 120.400 0.049 0.000 2.232 339 D HA 0.356 4.998 4.640 0.003 0.000 0.242 339 D C 0.056 176.141 176.300 -0.358 0.000 1.093 339 D CA 0.344 54.277 54.000 -0.111 0.000 0.845 339 D CB 1.637 42.395 40.800 -0.071 0.000 1.124 339 D HN 0.569 nan 8.370 nan 0.000 0.467 340 S N 2.441 117.686 115.700 -0.757 0.000 2.423 340 S HA 0.038 4.510 4.470 0.003 0.000 0.302 340 S C 0.942 175.315 174.600 -0.378 0.000 1.143 340 S CA -0.988 56.687 58.200 -0.875 0.000 1.080 340 S CB 0.438 62.903 63.200 -1.224 0.000 1.081 340 S HN 0.484 nan 8.310 nan 0.000 0.522 341 N N 3.084 121.636 118.700 -0.247 0.000 2.228 341 N HA -0.150 4.592 4.740 0.003 0.000 0.250 341 N C 0.254 175.692 175.510 -0.120 0.000 1.249 341 N CA -0.047 52.917 53.050 -0.143 0.000 0.884 341 N CB -0.369 38.059 38.487 -0.098 0.000 0.947 341 N HN 0.819 nan 8.380 nan 0.000 0.419 342 E N -0.244 119.906 120.200 -0.082 0.000 2.437 342 E HA -0.143 4.209 4.350 0.003 0.000 0.263 342 E C -0.081 176.480 176.600 -0.065 0.000 1.030 342 E CA 0.452 56.813 56.400 -0.064 0.000 0.934 342 E CB 0.179 29.850 29.700 -0.048 0.000 0.943 342 E HN 0.547 nan 8.360 nan 0.000 0.444 343 Q N 1.123 120.890 119.800 -0.054 0.000 2.281 343 Q HA -0.271 4.071 4.340 0.003 0.000 0.148 343 Q C 0.403 176.371 176.000 -0.053 0.000 1.069 343 Q CA 1.088 56.863 55.803 -0.047 0.000 1.297 343 Q CB -1.747 26.966 28.738 -0.041 0.000 1.268 343 Q HN 1.065 nan 8.270 nan 0.000 0.952 344 G N 0.707 109.458 108.800 -0.081 0.000 3.026 344 G HA2 0.027 3.989 3.960 0.003 0.000 0.252 344 G HA3 0.027 3.989 3.960 0.003 0.000 0.252 344 G C -0.604 174.246 174.900 -0.083 0.000 1.070 344 G CA 0.364 45.402 45.100 -0.102 0.000 1.183 344 G HN 0.646 nan 8.290 nan 0.000 0.571 345 S N 0.122 115.737 115.700 -0.142 0.000 2.614 345 S HA 0.654 5.126 4.470 0.003 0.000 0.275 345 S C 0.600 175.152 174.600 -0.080 0.000 1.161 345 S CA -0.559 57.619 58.200 -0.036 0.000 0.969 345 S CB 0.865 64.055 63.200 -0.016 0.000 1.059 345 S HN 0.591 nan 8.310 nan 0.000 0.482 346 Y N 2.706 122.989 120.300 -0.029 0.000 2.523 346 Y HA 0.285 4.837 4.550 0.003 0.000 0.279 346 Y C 0.880 176.773 175.900 -0.012 0.000 1.139 346 Y CA -0.128 57.963 58.100 -0.016 0.000 1.296 346 Y CB 0.172 38.626 38.460 -0.011 0.000 1.045 346 Y HN 0.412 nan 8.280 nan 0.000 0.538 347 V N 1.985 121.982 119.914 0.139 0.000 2.408 347 V HA 0.269 4.391 4.120 0.003 0.000 0.267 347 V C -0.187 175.924 176.094 0.029 0.000 1.047 347 V CA -0.752 61.590 62.300 0.069 0.000 0.937 347 V CB 0.901 32.748 31.823 0.040 0.000 0.999 347 V HN -0.141 nan 8.190 nan 0.000 0.472 348 V N 4.517 124.445 119.914 0.022 0.000 2.482 348 V HA 0.636 4.758 4.120 0.003 0.000 0.295 348 V C 0.444 176.533 176.094 -0.007 0.000 1.026 348 V CA -0.810 61.491 62.300 0.002 0.000 0.856 348 V CB 1.627 33.450 31.823 -0.000 0.000 1.001 348 V HN 0.943 nan 8.190 nan 0.000 0.424 349 A N 5.418 128.225 122.820 -0.021 0.000 2.462 349 A HA 0.581 4.903 4.320 0.003 0.000 0.243 349 A C 0.713 178.268 177.584 -0.049 0.000 1.076 349 A CA 0.220 52.233 52.037 -0.040 0.000 0.773 349 A CB 0.411 19.379 19.000 -0.053 0.000 1.010 349 A HN 0.905 nan 8.150 nan 0.000 0.493 350 M N 0.672 120.234 119.600 -0.063 0.000 2.731 350 M HA 0.184 4.666 4.480 0.003 0.000 0.231 350 M C 0.602 176.829 176.300 -0.121 0.000 1.295 350 M CA 0.930 56.190 55.300 -0.068 0.000 1.283 350 M CB 0.016 32.589 32.600 -0.044 0.000 1.146 350 M HN 0.755 nan 8.290 nan 0.000 0.523 351 E N 0.343 120.424 120.200 -0.197 0.000 2.227 351 E HA 0.346 4.698 4.350 0.003 0.000 0.268 351 E C -1.279 174.968 176.600 -0.588 0.000 0.907 351 E CA -0.349 55.823 56.400 -0.381 0.000 0.786 351 E CB 2.302 31.725 29.700 -0.462 0.000 1.191 351 E HN 0.072 nan 8.360 nan 0.000 0.411 352 T N 2.564 116.779 114.554 -0.564 0.000 2.792 352 T HA 0.418 4.770 4.350 0.003 0.000 0.280 352 T C -0.829 173.568 174.700 -0.505 0.000 0.990 352 T CA -0.497 61.330 62.100 -0.454 0.000 0.960 352 T CB 0.206 68.952 68.868 -0.203 0.000 0.939 352 T HN 0.223 nan 8.240 nan 0.000 0.439 353 F N 1.991 121.947 119.950 0.010 0.000 2.375 353 F HA 0.298 4.826 4.527 0.003 0.000 0.361 353 F C 1.316 177.123 175.800 0.012 0.000 1.117 353 F CA -1.083 56.932 58.000 0.025 0.000 1.037 353 F CB 0.804 39.841 39.000 0.062 0.000 1.192 353 F HN 0.399 nan 8.300 nan 0.000 0.452 354 T N 2.619 117.270 114.554 0.161 0.000 2.903 354 T HA -0.137 4.215 4.350 0.003 0.000 0.299 354 T C -0.063 174.686 174.700 0.082 0.000 1.041 354 T CA 0.641 62.792 62.100 0.084 0.000 1.138 354 T CB -0.115 68.789 68.868 0.060 0.000 1.040 354 T HN 0.503 nan 8.240 nan 0.000 0.524 355 N N 2.506 121.229 118.700 0.039 0.000 2.533 355 N HA 0.239 4.981 4.740 0.003 0.000 0.289 355 N C 0.324 175.831 175.510 -0.005 0.000 1.103 355 N CA -0.614 52.451 53.050 0.026 0.000 0.877 355 N CB 0.812 39.315 38.487 0.028 0.000 1.419 355 N HN 0.447 nan 8.380 nan 0.000 0.517 356 L N 0.947 122.165 121.223 -0.008 0.000 2.492 356 L HA 0.360 4.702 4.340 0.003 0.000 0.223 356 L C 1.334 178.188 176.870 -0.027 0.000 1.132 356 L CA 0.066 54.891 54.840 -0.026 0.000 0.850 356 L CB -0.220 41.823 42.059 -0.026 0.000 0.966 356 L HN 0.499 nan 8.230 nan 0.000 0.454 357 G N 0.796 109.587 108.800 -0.015 0.000 2.400 357 G HA2 0.454 4.416 3.960 0.003 0.000 0.301 357 G HA3 0.454 4.416 3.960 0.003 0.000 0.301 357 G C -2.636 172.246 174.900 -0.029 0.000 1.154 357 G CA -0.965 44.126 45.100 -0.015 0.000 0.852 357 G HN -0.173 nan 8.290 nan 0.000 0.511 358 P HA 0.322 nan 4.420 nan 0.000 0.281 358 P C -0.520 176.761 177.300 -0.032 0.000 1.249 358 P CA -0.341 62.741 63.100 -0.029 0.000 0.810 358 P CB 1.847 33.520 31.700 -0.045 0.000 1.008 359 I N 2.487 123.053 120.570 -0.006 0.000 2.328 359 I HA 0.101 4.272 4.170 0.003 0.000 0.287 359 I C 1.361 177.483 176.117 0.008 0.000 1.012 359 I CA -0.588 60.707 61.300 -0.009 0.000 1.195 359 I CB 1.543 39.543 38.000 -0.001 0.000 1.350 359 I HN 0.076 nan 8.210 nan 0.000 0.464 360 V N 3.795 123.705 119.914 -0.007 0.000 3.354 360 V HA 0.130 4.252 4.120 0.003 0.000 0.258 360 V C 0.140 176.250 176.094 0.027 0.000 1.159 360 V CA 0.859 63.166 62.300 0.012 0.000 1.125 360 V CB -0.400 31.414 31.823 -0.016 0.000 0.774 360 V HN 0.809 nan 8.190 nan 0.000 0.464 361 D N -0.698 119.711 120.400 0.015 0.000 2.742 361 D HA 0.503 5.145 4.640 0.003 0.000 0.262 361 D C -1.070 175.243 176.300 0.022 0.000 1.240 361 D CA -0.428 53.591 54.000 0.032 0.000 0.752 361 D CB 1.564 42.392 40.800 0.046 0.000 1.290 361 D HN 0.111 nan 8.370 nan 0.000 0.420 362 M N -0.332 119.294 119.600 0.043 0.000 2.833 362 M HA 0.684 5.166 4.480 0.003 0.000 0.270 362 M C -1.580 174.766 176.300 0.076 0.000 1.209 362 M CA -0.876 54.445 55.300 0.035 0.000 0.826 362 M CB 1.969 34.579 32.600 0.018 0.000 1.657 362 M HN 0.729 nan 8.290 nan 0.000 0.492 363 C N -0.072 119.274 119.300 0.077 0.000 2.985 363 C HA 0.904 5.366 4.460 0.003 0.000 0.314 363 C C -0.610 174.441 174.990 0.101 0.000 1.215 363 C CA -0.718 58.375 59.018 0.125 0.000 1.414 363 C CB 1.244 29.107 27.740 0.205 0.000 1.842 363 C HN 0.833 nan 8.230 nan 0.000 0.477 364 V N 1.837 121.815 119.914 0.106 0.000 2.644 364 V HA 0.824 4.946 4.120 0.003 0.000 0.295 364 V C 0.003 176.137 176.094 0.067 0.000 1.053 364 V CA -0.241 62.104 62.300 0.075 0.000 0.987 364 V CB 1.429 33.296 31.823 0.073 0.000 1.006 364 V HN 0.952 nan 8.190 nan 0.000 0.472 365 V N 2.132 122.060 119.914 0.024 0.000 2.969 365 V HA 0.369 4.491 4.120 0.003 0.000 0.304 365 V C -1.136 174.928 176.094 -0.049 0.000 1.192 365 V CA -0.546 61.718 62.300 -0.059 0.000 0.962 365 V CB 2.470 34.206 31.823 -0.146 0.000 1.045 365 V HN 0.949 nan 8.190 nan 0.000 0.428 366 D N 4.808 125.169 120.400 -0.064 0.000 2.767 366 D HA 0.261 4.903 4.640 0.003 0.000 0.241 366 D C 1.275 177.554 176.300 -0.034 0.000 1.187 366 D CA 0.062 54.047 54.000 -0.025 0.000 0.999 366 D CB 0.302 41.099 40.800 -0.004 0.000 1.042 366 D HN 0.495 nan 8.370 nan 0.000 0.510 367 L N 0.755 121.960 121.223 -0.030 0.000 1.952 367 L HA -0.272 4.070 4.340 0.003 0.000 0.231 367 L C 1.949 178.849 176.870 0.051 0.000 1.088 367 L CA 1.408 56.251 54.840 0.004 0.000 0.802 367 L CB -0.232 41.882 42.059 0.091 0.000 0.903 367 L HN 0.183 nan 8.230 nan 0.000 0.439 368 E N 0.118 120.359 120.200 0.068 0.000 2.352 368 E HA -0.177 4.175 4.350 0.003 0.000 0.203 368 E C -0.106 176.527 176.600 0.053 0.000 1.024 368 E CA 0.563 57.005 56.400 0.070 0.000 0.842 368 E CB -0.192 29.537 29.700 0.048 0.000 0.753 368 E HN 0.189 nan 8.360 nan 0.000 0.508 369 R N 0.441 120.964 120.500 0.039 0.000 2.598 369 R HA -0.132 4.210 4.340 0.003 0.000 0.323 369 R C -1.091 175.219 176.300 0.016 0.000 0.993 369 R CA 0.663 56.781 56.100 0.030 0.000 0.724 369 R CB -1.609 28.718 30.300 0.046 0.000 2.060 369 R HN 0.241 nan 8.270 nan 0.000 0.470 370 Q N -0.501 119.303 119.800 0.008 0.000 3.404 370 Q HA 0.054 4.396 4.340 0.003 0.000 0.168 370 Q C 0.161 176.156 176.000 -0.009 0.000 0.885 370 Q CA 0.372 56.173 55.803 -0.003 0.000 1.364 370 Q CB -0.542 28.191 28.738 -0.008 0.000 1.432 370 Q HN 0.694 nan 8.270 nan 0.000 0.656 371 G N 3.020 111.814 108.800 -0.010 0.000 2.362 371 G HA2 -0.367 3.595 3.960 0.003 0.000 0.308 371 G HA3 -0.367 3.595 3.960 0.003 0.000 0.308 371 G C 0.025 174.919 174.900 -0.010 0.000 0.986 371 G CA 1.746 46.838 45.100 -0.013 0.000 0.739 371 G HN 0.966 nan 8.290 nan 0.000 0.517 372 Q N -0.299 119.499 119.800 -0.004 0.000 2.348 372 Q HA 0.679 5.021 4.340 0.003 0.000 0.265 372 Q C 0.628 176.633 176.000 0.009 0.000 0.998 372 Q CA -0.379 55.425 55.803 0.001 0.000 0.831 372 Q CB 1.364 30.103 28.738 0.001 0.000 1.251 372 Q HN 0.439 nan 8.270 nan 0.000 0.456 373 G N 1.878 110.686 108.800 0.013 0.000 2.593 373 G HA2 0.317 4.279 3.960 0.003 0.000 0.279 373 G HA3 0.317 4.279 3.960 0.003 0.000 0.279 373 G C -0.788 174.124 174.900 0.019 0.000 1.329 373 G CA -0.273 44.838 45.100 0.018 0.000 1.036 373 G HN 0.720 nan 8.290 nan 0.000 0.555 374 Q N -1.838 117.974 119.800 0.021 0.000 2.541 374 Q HA 0.304 4.646 4.340 0.003 0.000 0.259 374 Q C -1.601 174.407 176.000 0.014 0.000 0.974 374 Q CA -0.578 55.237 55.803 0.019 0.000 0.955 374 Q CB 1.589 30.343 28.738 0.027 0.000 1.517 374 Q HN 0.444 nan 8.270 nan 0.000 0.412 375 L N 3.139 124.361 121.223 -0.001 0.000 2.317 375 L HA 0.715 5.057 4.340 0.003 0.000 0.281 375 L C -0.878 175.962 176.870 -0.050 0.000 1.024 375 L CA -0.943 53.889 54.840 -0.013 0.000 0.810 375 L CB 1.802 43.850 42.059 -0.018 0.000 1.240 375 L HN 0.419 nan 8.230 nan 0.000 0.427 376 V N 1.668 121.542 119.914 -0.068 0.000 2.444 376 V HA 0.510 4.632 4.120 0.003 0.000 0.294 376 V C 0.134 176.155 176.094 -0.123 0.000 1.022 376 V CA -0.566 61.641 62.300 -0.155 0.000 0.850 376 V CB 1.685 33.330 31.823 -0.297 0.000 0.992 376 V HN 0.883 nan 8.190 nan 0.000 0.426 377 T N 0.368 114.846 114.554 -0.126 0.000 2.930 377 T HA 0.524 4.876 4.350 0.003 0.000 0.290 377 T C -0.509 174.133 174.700 -0.096 0.000 1.052 377 T CA -0.685 61.362 62.100 -0.088 0.000 1.017 377 T CB 1.764 70.591 68.868 -0.068 0.000 1.137 377 T HN 0.548 nan 8.240 nan 0.000 0.511 378 C N 2.900 122.159 119.300 -0.069 0.000 2.206 378 C HA 0.735 5.197 4.460 0.003 0.000 0.324 378 C C 0.559 175.504 174.990 -0.075 0.000 1.120 378 C CA -0.504 58.469 59.018 -0.074 0.000 1.546 378 C CB -1.301 26.407 27.740 -0.053 0.000 2.023 378 C HN 0.922 nan 8.230 nan 0.000 0.448 379 S N 1.413 117.059 115.700 -0.091 0.000 2.664 379 S HA 0.926 5.398 4.470 0.003 0.000 0.304 379 S C 0.449 174.986 174.600 -0.105 0.000 1.099 379 S CA 0.391 58.540 58.200 -0.085 0.000 1.003 379 S CB 1.558 64.710 63.200 -0.079 0.000 1.092 379 S HN 1.443 nan 8.310 nan 0.000 0.525 380 G N 0.278 109.019 108.800 -0.098 0.000 2.698 380 G HA2 0.360 4.322 3.960 0.003 0.000 0.233 380 G HA3 0.360 4.322 3.960 0.003 0.000 0.233 380 G C -0.396 174.395 174.900 -0.181 0.000 1.352 380 G CA -0.175 44.857 45.100 -0.114 0.000 0.879 380 G HN 1.741 nan 8.290 nan 0.000 0.567 381 A N -2.069 120.622 122.820 -0.215 0.000 2.586 381 A HA 0.957 5.279 4.320 0.003 0.000 0.291 381 A C 0.278 177.680 177.584 -0.304 0.000 1.062 381 A CA 0.418 52.187 52.037 -0.446 0.000 0.666 381 A CB 0.086 18.625 19.000 -0.768 0.000 1.281 381 A HN 2.372 nan 8.150 nan 0.000 0.421 382 F N -0.127 119.795 119.950 -0.045 0.000 2.512 382 F HA -0.371 4.158 4.527 0.003 0.000 0.290 382 F C 2.124 177.911 175.800 -0.023 0.000 1.459 382 F CA 1.485 59.466 58.000 -0.032 0.000 1.366 382 F CB -0.627 38.361 39.000 -0.020 0.000 3.242 382 F HN 0.734 nan 8.300 nan 0.000 0.190 383 K N 0.812 121.370 120.400 0.262 0.000 2.147 383 K HA -0.188 4.134 4.320 0.003 0.000 0.205 383 K C 1.318 177.955 176.600 0.062 0.000 1.049 383 K CA 2.008 58.389 56.287 0.157 0.000 0.936 383 K CB -0.244 32.338 32.500 0.138 0.000 0.722 383 K HN 0.472 nan 8.250 nan 0.000 0.446 384 E N 0.486 120.713 120.200 0.045 0.000 2.502 384 E HA 0.020 4.372 4.350 0.003 0.000 0.194 384 E C 0.735 177.265 176.600 -0.115 0.000 1.062 384 E CA 0.153 56.528 56.400 -0.040 0.000 0.867 384 E CB -0.241 29.455 29.700 -0.006 0.000 0.888 384 E HN 0.344 nan 8.360 nan 0.000 0.510 385 G N 1.738 110.467 108.800 -0.119 0.000 2.568 385 G HA2 0.172 4.134 3.960 0.003 0.000 0.231 385 G HA3 0.172 4.134 3.960 0.003 0.000 0.231 385 G C 0.184 174.962 174.900 -0.203 0.000 1.261 385 G CA 0.704 45.711 45.100 -0.156 0.000 0.855 385 G HN 0.250 nan 8.290 nan 0.000 0.576 386 S N 0.126 115.723 115.700 -0.172 0.000 2.688 386 S HA 0.507 4.979 4.470 0.003 0.000 0.266 386 S C -1.254 173.259 174.600 -0.145 0.000 1.061 386 S CA -1.095 56.999 58.200 -0.177 0.000 0.844 386 S CB 0.805 63.892 63.200 -0.188 0.000 1.103 386 S HN 0.699 nan 8.310 nan 0.000 0.471 387 L N 0.840 121.971 121.223 -0.154 0.000 2.342 387 L HA 0.741 5.083 4.340 0.003 0.000 0.271 387 L C -0.477 176.269 176.870 -0.207 0.000 1.008 387 L CA -0.905 53.833 54.840 -0.169 0.000 0.818 387 L CB 1.876 43.834 42.059 -0.167 0.000 1.296 387 L HN 0.660 nan 8.230 nan 0.000 0.427 388 R N 3.381 123.758 120.500 -0.204 0.000 2.628 388 R HA 0.578 4.920 4.340 0.003 0.000 0.288 388 R C -1.215 174.954 176.300 -0.217 0.000 0.980 388 R CA -0.811 55.172 56.100 -0.195 0.000 0.891 388 R CB 2.697 32.921 30.300 -0.126 0.000 1.188 388 R HN 0.386 nan 8.270 nan 0.000 0.450 389 I N 4.565 124.996 120.570 -0.231 0.000 2.355 389 I HA 0.451 4.623 4.170 0.003 0.000 0.288 389 I C 0.286 176.346 176.117 -0.095 0.000 0.999 389 I CA -0.680 60.504 61.300 -0.193 0.000 1.163 389 I CB 1.041 38.884 38.000 -0.262 0.000 1.316 389 I HN 0.474 nan 8.210 nan 0.000 0.454 390 I N 6.162 126.698 120.570 -0.056 0.000 2.354 390 I HA 0.451 4.623 4.170 0.003 0.000 0.286 390 I C 0.241 176.364 176.117 0.011 0.000 1.007 390 I CA -0.497 60.792 61.300 -0.018 0.000 1.167 390 I CB 1.415 39.400 38.000 -0.025 0.000 1.320 390 I HN 0.452 nan 8.210 nan 0.000 0.458 391 R N 4.455 124.982 120.500 0.045 0.000 2.807 391 R HA 0.475 4.817 4.340 0.003 0.000 0.276 391 R C -0.828 175.537 176.300 0.108 0.000 0.979 391 R CA -0.759 55.380 56.100 0.063 0.000 0.928 391 R CB 2.247 32.581 30.300 0.058 0.000 1.191 391 R HN 0.557 nan 8.270 nan 0.000 0.471 392 N N -0.328 118.424 118.700 0.087 0.000 2.405 392 N HA 0.536 5.278 4.740 0.003 0.000 0.269 392 N C -0.018 175.573 175.510 0.135 0.000 1.249 392 N CA 0.727 53.837 53.050 0.100 0.000 0.974 392 N CB 1.284 39.805 38.487 0.056 0.000 1.204 392 N HN 0.792 nan 8.380 nan 0.000 0.565 393 G N -0.413 108.469 108.800 0.136 0.000 2.381 393 G HA2 -0.009 3.953 3.960 0.003 0.000 0.672 393 G HA3 -0.009 3.953 3.960 0.003 0.000 0.672 393 G C -1.274 173.744 174.900 0.197 0.000 1.324 393 G CA -0.819 44.350 45.100 0.116 0.000 0.975 393 G HN 0.439 nan 8.290 nan 0.000 0.593 394 I N 0.805 121.435 120.570 0.101 0.000 2.460 394 I HA 0.644 4.816 4.170 0.003 0.000 0.298 394 I C 1.058 177.160 176.117 -0.024 0.000 0.989 394 I CA -0.450 60.914 61.300 0.108 0.000 1.173 394 I CB 1.926 39.969 38.000 0.073 0.000 1.338 394 I HN 0.838 nan 8.210 nan 0.000 0.456 395 G N 6.051 114.829 108.800 -0.038 0.000 2.432 395 G HA2 0.719 4.681 3.960 0.003 0.000 0.331 395 G HA3 0.719 4.681 3.960 0.003 0.000 0.331 395 G C -0.825 173.912 174.900 -0.271 0.000 1.170 395 G CA -0.383 44.574 45.100 -0.237 0.000 0.943 395 G HN 0.484 nan 8.290 nan 0.000 0.483 396 I N -1.057 119.317 120.570 -0.327 0.000 2.545 396 I HA 0.481 4.652 4.170 0.003 0.000 0.292 396 I C -1.236 174.630 176.117 -0.419 0.000 1.040 396 I CA -1.534 59.554 61.300 -0.354 0.000 1.068 396 I CB 1.603 39.483 38.000 -0.201 0.000 1.251 396 I HN 0.414 nan 8.210 nan 0.000 0.424 397 H N 4.364 123.345 119.070 -0.149 0.000 2.685 397 H HA 0.321 4.878 4.556 0.002 0.000 0.286 397 H C -0.215 174.901 175.328 -0.353 0.000 1.102 397 H CA -0.359 55.593 56.048 -0.159 0.000 1.254 397 H CB 1.086 30.808 29.762 -0.065 0.000 1.397 397 H HN 0.692 nan 8.280 nan 0.000 0.473 398 E N 2.313 122.459 120.200 -0.089 0.000 2.415 398 E HA -0.035 4.317 4.350 0.003 0.000 0.263 398 E C -0.067 176.558 176.600 0.042 0.000 0.995 398 E CA 0.205 56.545 56.400 -0.100 0.000 0.915 398 E CB 0.441 30.123 29.700 -0.029 0.000 0.951 398 E HN 0.737 nan 8.360 nan 0.000 0.449 399 H N 1.742 120.788 119.070 -0.040 0.000 3.058 399 H HA 0.414 4.971 4.556 0.002 0.000 0.266 399 H C -0.385 174.923 175.328 -0.033 0.000 1.135 399 H CA -0.079 55.963 56.048 -0.010 0.000 1.174 399 H CB 1.253 31.025 29.762 0.017 0.000 1.581 399 H HN 0.480 nan 8.280 nan 0.000 0.553 400 A N 0.452 123.283 122.820 0.019 0.000 2.590 400 A HA 0.557 4.879 4.320 0.003 0.000 0.294 400 A C -1.324 176.240 177.584 -0.034 0.000 1.046 400 A CA -0.684 51.350 52.037 -0.004 0.000 0.684 400 A CB 1.307 20.276 19.000 -0.051 0.000 1.279 400 A HN 0.044 nan 8.150 nan 0.000 0.415 401 S N 1.177 116.873 115.700 -0.005 0.000 2.668 401 S HA 0.665 5.137 4.470 0.003 0.000 0.277 401 S C -0.869 173.737 174.600 0.009 0.000 1.170 401 S CA -0.550 57.645 58.200 -0.008 0.000 0.994 401 S CB 1.014 64.213 63.200 -0.000 0.000 1.051 401 S HN 0.659 nan 8.310 nan 0.000 0.484 402 I N 1.861 122.436 120.570 0.010 0.000 2.646 402 I HA 0.430 4.602 4.170 0.003 0.000 0.299 402 I C -0.197 175.938 176.117 0.031 0.000 1.036 402 I CA -1.002 60.313 61.300 0.026 0.000 1.074 402 I CB 1.717 39.738 38.000 0.035 0.000 1.258 402 I HN 0.583 nan 8.210 nan 0.000 0.430 403 D N 5.499 125.920 120.400 0.034 0.000 2.483 403 D HA 0.303 4.945 4.640 0.003 0.000 0.220 403 D C -1.059 175.274 176.300 0.054 0.000 1.173 403 D CA -0.040 53.983 54.000 0.038 0.000 0.964 403 D CB 0.185 41.002 40.800 0.028 0.000 1.046 403 D HN 0.114 nan 8.370 nan 0.000 0.517 404 L N 5.549 126.823 121.223 0.084 0.000 2.353 404 L HA 0.467 4.809 4.340 0.003 0.000 0.270 404 L C -2.392 174.589 176.870 0.184 0.000 1.003 404 L CA -1.898 53.031 54.840 0.149 0.000 0.862 404 L CB 1.267 43.462 42.059 0.226 0.000 1.221 404 L HN 0.235 nan 8.230 nan 0.000 0.430 405 P HA 0.497 nan 4.420 nan 0.000 0.282 405 P C 0.682 178.143 177.300 0.269 0.000 1.259 405 P CA -0.033 63.163 63.100 0.159 0.000 0.826 405 P CB 1.325 33.082 31.700 0.095 0.000 1.064 406 G N 0.665 109.593 108.800 0.215 0.000 2.159 406 G HA2 -0.257 3.705 3.960 0.003 0.000 0.256 406 G HA3 -0.257 3.705 3.960 0.003 0.000 0.256 406 G C 0.186 175.190 174.900 0.172 0.000 0.977 406 G CA -0.360 44.891 45.100 0.251 0.000 0.652 406 G HN 0.490 nan 8.290 nan 0.000 0.531 407 I N 0.655 121.234 120.570 0.016 0.000 2.828 407 I HA 0.027 4.199 4.170 0.003 0.000 0.292 407 I C 1.214 177.141 176.117 -0.317 0.000 1.206 407 I CA 0.552 61.620 61.300 -0.386 0.000 1.420 407 I CB 0.581 38.424 38.000 -0.262 0.000 1.368 407 I HN -0.081 nan 8.210 nan 0.000 0.556 408 K N 4.962 125.049 120.400 -0.522 0.000 2.399 408 K HA 0.381 4.703 4.320 0.003 0.000 0.204 408 K C 0.241 176.131 176.600 -1.183 0.000 1.023 408 K CA -0.088 55.865 56.287 -0.557 0.000 1.127 408 K CB 0.988 33.386 32.500 -0.170 0.000 0.856 408 K HN 0.903 nan 8.250 nan 0.000 0.514 409 G N 1.009 109.037 108.800 -1.286 0.000 2.358 409 G HA2 0.306 4.268 3.960 0.003 0.000 0.303 409 G HA3 0.306 4.268 3.960 0.003 0.000 0.303 409 G C -1.906 172.319 174.900 -1.125 0.000 1.537 409 G CA -1.012 43.280 45.100 -1.345 0.000 0.928 409 G HN 0.081 nan 8.290 nan 0.000 0.656 410 L N -2.973 117.390 121.223 -1.435 0.000 2.592 410 L HA 0.840 5.182 4.340 0.003 0.000 0.258 410 L C -1.567 174.715 176.870 -0.979 0.000 0.926 410 L CA -1.146 53.150 54.840 -0.905 0.000 0.885 410 L CB 2.016 43.797 42.059 -0.464 0.000 1.380 410 L HN 0.673 nan 8.230 nan 0.000 0.415 411 W N 1.942 123.127 121.300 -0.190 0.000 2.915 411 W HA 0.509 5.170 4.660 0.002 0.000 0.337 411 W C -2.599 173.769 176.519 -0.252 0.000 1.102 411 W CA -1.592 55.617 57.345 -0.226 0.000 1.224 411 W CB 2.410 31.676 29.460 -0.324 0.000 1.416 411 W HN 0.261 nan 8.180 nan 0.000 0.503 412 P HA 0.492 nan 4.420 nan 0.000 0.281 412 P C -0.903 176.116 177.300 -0.467 0.000 1.249 412 P CA -0.064 62.738 63.100 -0.497 0.000 0.810 412 P CB 2.299 33.421 31.700 -0.965 0.000 1.008 413 L N 1.114 122.097 121.223 -0.401 0.000 2.506 413 L HA 0.430 4.772 4.340 0.003 0.000 0.257 413 L C -0.150 176.804 176.870 0.141 0.000 0.964 413 L CA -0.925 53.868 54.840 -0.079 0.000 0.836 413 L CB 2.964 45.024 42.059 0.001 0.000 1.384 413 L HN 0.250 nan 8.230 nan 0.000 0.410 414 R N 0.496 121.117 120.500 0.202 0.000 2.215 414 R HA 0.262 4.604 4.340 0.003 0.000 0.337 414 R C 0.610 176.960 176.300 0.083 0.000 1.010 414 R CA 0.058 56.272 56.100 0.190 0.000 0.871 414 R CB 1.529 31.941 30.300 0.188 0.000 1.134 414 R HN 0.597 nan 8.270 nan 0.000 0.477 415 S N 2.011 117.743 115.700 0.053 0.000 2.425 415 S HA -0.071 4.401 4.470 0.003 0.000 0.225 415 S C 0.377 174.980 174.600 0.006 0.000 1.024 415 S CA 0.524 58.726 58.200 0.003 0.000 0.951 415 S CB 0.104 63.297 63.200 -0.011 0.000 0.796 415 S HN 0.641 nan 8.310 nan 0.000 0.498 416 D N 1.041 121.455 120.400 0.023 0.000 2.313 416 D HA 0.329 4.971 4.640 0.003 0.000 0.239 416 D C -1.879 174.436 176.300 0.025 0.000 1.142 416 D CA -2.373 51.638 54.000 0.018 0.000 0.847 416 D CB 1.580 42.390 40.800 0.016 0.000 1.082 416 D HN 0.026 nan 8.370 nan 0.000 0.480 417 P HA -0.137 nan 4.420 nan 0.000 0.217 417 P C 0.834 178.149 177.300 0.027 0.000 1.148 417 P CA 0.960 64.078 63.100 0.028 0.000 0.828 417 P CB 0.322 32.037 31.700 0.025 0.000 0.783 418 N N -0.619 118.093 118.700 0.020 0.000 2.182 418 N HA -0.023 4.719 4.740 0.003 0.000 0.186 418 N C 0.774 176.291 175.510 0.012 0.000 1.036 418 N CA 0.550 53.609 53.050 0.015 0.000 0.850 418 N CB -0.471 38.023 38.487 0.011 0.000 1.010 418 N HN 0.169 nan 8.380 nan 0.000 0.432 419 R N 2.222 122.728 120.500 0.011 0.000 2.756 419 R HA 0.011 4.353 4.340 0.003 0.000 0.264 419 R C 0.762 177.062 176.300 0.000 0.000 1.026 419 R CA 0.305 56.407 56.100 0.005 0.000 1.121 419 R CB -0.226 30.078 30.300 0.006 0.000 0.999 419 R HN 0.353 nan 8.270 nan 0.000 0.449 420 E N -0.065 120.123 120.200 -0.019 0.000 2.481 420 E HA 0.041 4.393 4.350 0.003 0.000 0.198 420 E C -0.529 176.006 176.600 -0.108 0.000 1.027 420 E CA -0.129 56.243 56.400 -0.047 0.000 0.900 420 E CB 0.294 29.966 29.700 -0.047 0.000 0.993 420 E HN 0.778 nan 8.360 nan 0.000 0.482 421 T N -1.957 112.551 114.554 -0.077 0.000 2.944 421 T HA 0.328 4.680 4.350 0.003 0.000 0.284 421 T C -0.212 174.477 174.700 -0.019 0.000 1.010 421 T CA -0.739 61.294 62.100 -0.112 0.000 1.025 421 T CB 0.769 69.613 68.868 -0.039 0.000 1.079 421 T HN 0.113 nan 8.240 nan 0.000 0.516 422 Y N 0.885 121.211 120.300 0.044 0.000 2.304 422 Y HA 0.338 4.892 4.550 0.006 0.000 0.327 422 Y C 1.070 176.995 175.900 0.043 0.000 1.209 422 Y CA -0.665 57.465 58.100 0.049 0.000 1.299 422 Y CB 0.989 39.487 38.460 0.064 0.000 1.249 422 Y HN 0.895 nan 8.280 nan 0.000 0.519 423 D N -1.487 119.043 120.400 0.216 0.000 2.530 423 D HA 0.110 4.752 4.640 0.003 0.000 0.253 423 D C -0.453 175.899 176.300 0.086 0.000 1.338 423 D CA 0.042 54.113 54.000 0.119 0.000 0.806 423 D CB 0.223 41.070 40.800 0.077 0.000 1.160 423 D HN 0.345 nan 8.370 nan 0.000 0.514 424 T N 0.570 115.173 114.554 0.082 0.000 2.923 424 T HA 0.553 4.905 4.350 0.003 0.000 0.311 424 T C -1.748 172.969 174.700 0.027 0.000 1.183 424 T CA -0.633 61.495 62.100 0.048 0.000 1.020 424 T CB 2.363 71.246 68.868 0.025 0.000 1.165 424 T HN 0.032 nan 8.240 nan 0.000 0.482 425 L N 2.901 124.150 121.223 0.042 0.000 2.404 425 L HA 0.658 5.000 4.340 0.003 0.000 0.272 425 L C -1.140 175.776 176.870 0.076 0.000 0.980 425 L CA -0.623 54.236 54.840 0.031 0.000 0.836 425 L CB 1.532 43.603 42.059 0.021 0.000 1.238 425 L HN 0.526 nan 8.230 nan 0.000 0.408 426 V N 6.026 126.013 119.914 0.123 0.000 2.432 426 V HA 0.436 4.558 4.120 0.003 0.000 0.275 426 V C -0.187 176.019 176.094 0.186 0.000 1.043 426 V CA -0.420 61.997 62.300 0.195 0.000 0.925 426 V CB 1.364 33.334 31.823 0.245 0.000 0.985 426 V HN 0.506 nan 8.190 nan 0.000 0.466 427 L N 4.192 125.487 121.223 0.121 0.000 2.329 427 L HA 0.573 4.915 4.340 0.003 0.000 0.279 427 L C 0.197 176.992 176.870 -0.125 0.000 1.014 427 L CA 0.515 55.315 54.840 -0.067 0.000 0.814 427 L CB 2.003 44.012 42.059 -0.084 0.000 1.257 427 L HN 0.661 nan 8.230 nan 0.000 0.424 428 S N 1.662 117.152 115.700 -0.349 0.000 2.593 428 S HA 0.856 5.328 4.470 0.003 0.000 0.297 428 S C -0.967 173.197 174.600 -0.727 0.000 1.112 428 S CA -0.236 57.814 58.200 -0.249 0.000 1.043 428 S CB 0.545 63.764 63.200 0.032 0.000 1.054 428 S HN 0.288 nan 8.310 nan 0.000 0.516 429 F N 0.883 120.859 119.950 0.044 0.000 2.692 429 F HA 0.380 4.909 4.527 0.004 0.000 0.320 429 F C 1.300 177.135 175.800 0.057 0.000 1.123 429 F CA -1.069 56.953 58.000 0.037 0.000 0.961 429 F CB 0.456 39.474 39.000 0.030 0.000 1.383 429 F HN 0.331 nan 8.300 nan 0.000 0.483 430 V N 0.936 121.011 119.914 0.269 0.000 2.236 430 V HA -0.289 3.833 4.120 0.003 0.000 0.255 430 V C 1.681 177.869 176.094 0.156 0.000 1.068 430 V CA 2.580 64.989 62.300 0.181 0.000 1.044 430 V CB -1.150 30.762 31.823 0.147 0.000 0.653 430 V HN 0.991 nan 8.190 nan 0.000 0.448 431 G N -0.627 108.260 108.800 0.145 0.000 3.829 431 G HA2 0.437 4.399 3.960 0.003 0.000 0.279 431 G HA3 0.437 4.399 3.960 0.003 0.000 0.279 431 G C 0.097 175.047 174.900 0.083 0.000 1.008 431 G CA 0.293 45.450 45.100 0.095 0.000 0.840 431 G HN 0.634 nan 8.290 nan 0.000 0.474 432 Q N -0.970 118.916 119.800 0.143 0.000 2.683 432 Q HA 0.783 5.125 4.340 0.003 0.000 0.302 432 Q C -1.548 174.578 176.000 0.210 0.000 1.042 432 Q CA -0.774 55.109 55.803 0.134 0.000 0.773 432 Q CB 1.546 30.347 28.738 0.105 0.000 1.508 432 Q HN -0.092 nan 8.270 nan 0.000 0.459 433 T N 0.436 115.099 114.554 0.182 0.000 2.912 433 T HA 0.570 4.922 4.350 0.003 0.000 0.299 433 T C -1.165 173.675 174.700 0.233 0.000 1.052 433 T CA -0.718 61.500 62.100 0.197 0.000 0.996 433 T CB 1.479 70.383 68.868 0.060 0.000 1.070 433 T HN 0.421 nan 8.240 nan 0.000 0.465 434 R N 1.564 122.245 120.500 0.301 0.000 2.513 434 R HA 0.607 4.949 4.340 0.003 0.000 0.301 434 R C -1.252 175.168 176.300 0.201 0.000 0.968 434 R CA -0.732 55.516 56.100 0.248 0.000 0.872 434 R CB 2.047 32.535 30.300 0.314 0.000 1.177 434 R HN 0.355 nan 8.270 nan 0.000 0.444 435 V N 5.836 125.841 119.914 0.152 0.000 2.334 435 V HA 0.286 4.408 4.120 0.003 0.000 0.267 435 V C 0.113 176.260 176.094 0.090 0.000 1.040 435 V CA -0.560 61.816 62.300 0.127 0.000 0.866 435 V CB 0.832 32.721 31.823 0.110 0.000 1.019 435 V HN 0.546 nan 8.190 nan 0.000 0.468 436 L N 6.284 127.560 121.223 0.090 0.000 2.312 436 L HA 0.634 4.976 4.340 0.003 0.000 0.281 436 L C 0.193 177.099 176.870 0.060 0.000 1.070 436 L CA -0.369 54.515 54.840 0.074 0.000 0.805 436 L CB 1.320 43.427 42.059 0.081 0.000 1.174 436 L HN 0.694 nan 8.230 nan 0.000 0.434 437 M N 2.813 122.443 119.600 0.051 0.000 2.423 437 M HA 0.598 5.080 4.480 0.003 0.000 0.335 437 M C -1.407 174.925 176.300 0.055 0.000 1.177 437 M CA -0.492 54.833 55.300 0.042 0.000 1.038 437 M CB 1.785 34.400 32.600 0.025 0.000 1.641 437 M HN 0.406 nan 8.290 nan 0.000 0.455 438 L N 3.350 124.607 121.223 0.057 0.000 2.294 438 L HA 0.449 4.791 4.340 0.003 0.000 0.283 438 L C -1.133 175.749 176.870 0.021 0.000 1.015 438 L CA -0.523 54.352 54.840 0.060 0.000 0.831 438 L CB 1.046 43.161 42.059 0.093 0.000 1.217 438 L HN 0.795 nan 8.230 nan 0.000 0.420 439 N N 2.551 121.254 118.700 0.004 0.000 2.511 439 N HA 0.477 5.219 4.740 0.003 0.000 0.249 439 N C 0.819 176.296 175.510 -0.055 0.000 0.971 439 N CA 0.469 53.508 53.050 -0.017 0.000 0.938 439 N CB 1.862 40.345 38.487 -0.007 0.000 1.131 439 N HN 0.775 nan 8.380 nan 0.000 0.505 440 G N 2.254 111.006 108.800 -0.082 0.000 2.752 440 G HA2 -0.431 3.530 3.960 0.003 0.000 0.349 440 G HA3 -0.431 3.530 3.960 0.003 0.000 0.349 440 G C 0.727 175.474 174.900 -0.256 0.000 1.181 440 G CA 0.902 45.919 45.100 -0.137 0.000 0.949 440 G HN 0.589 nan 8.290 nan 0.000 0.562 441 E N 0.526 120.601 120.200 -0.207 0.000 2.526 441 E HA 0.275 4.627 4.350 0.003 0.000 0.208 441 E C 0.215 176.800 176.600 -0.025 0.000 0.997 441 E CA -0.040 56.209 56.400 -0.252 0.000 0.961 441 E CB 0.369 29.979 29.700 -0.149 0.000 1.030 441 E HN 0.340 nan 8.360 nan 0.000 0.483 442 E N 0.535 120.727 120.200 -0.012 0.000 2.229 442 E HA 0.192 4.543 4.350 0.003 0.000 0.283 442 E C -1.321 175.318 176.600 0.064 0.000 1.030 442 E CA -0.355 56.068 56.400 0.037 0.000 0.836 442 E CB 1.399 31.109 29.700 0.016 0.000 1.068 442 E HN -0.120 nan 8.360 nan 0.000 0.401 443 V N 4.212 124.179 119.914 0.090 0.000 2.495 443 V HA 0.567 4.689 4.120 0.003 0.000 0.298 443 V C -0.212 175.921 176.094 0.065 0.000 1.031 443 V CA -0.764 61.591 62.300 0.092 0.000 0.871 443 V CB 1.507 33.402 31.823 0.121 0.000 0.988 443 V HN 0.723 nan 8.190 nan 0.000 0.432 444 E N 2.368 122.601 120.200 0.055 0.000 2.392 444 E HA 0.435 4.787 4.350 0.003 0.000 0.279 444 E C -0.890 175.736 176.600 0.042 0.000 0.964 444 E CA -0.771 55.654 56.400 0.043 0.000 0.777 444 E CB 2.280 31.999 29.700 0.031 0.000 1.249 444 E HN 0.744 nan 8.360 nan 0.000 0.449 445 E N 0.715 120.938 120.200 0.039 0.000 2.458 445 E HA 0.147 4.498 4.350 0.003 0.000 0.264 445 E C -0.816 175.802 176.600 0.030 0.000 1.097 445 E CA 1.195 57.619 56.400 0.040 0.000 0.973 445 E CB 0.839 30.556 29.700 0.029 0.000 0.963 445 E HN 0.443 nan 8.360 nan 0.000 0.451 446 T N 0.720 115.292 114.554 0.031 0.000 2.775 446 T HA 0.237 4.589 4.350 0.003 0.000 0.320 446 T C -1.383 173.327 174.700 0.017 0.000 1.597 446 T CA -1.051 61.059 62.100 0.017 0.000 1.022 446 T CB 1.295 70.169 68.868 0.010 0.000 1.485 446 T HN 0.590 nan 8.240 nan 0.000 0.494 447 E N 0.392 120.592 120.200 0.000 0.000 2.263 447 E HA 0.772 5.124 4.350 0.003 0.000 0.264 447 E C -1.455 175.117 176.600 -0.046 0.000 0.923 447 E CA -1.073 55.326 56.400 -0.002 0.000 0.802 447 E CB 1.559 31.261 29.700 0.004 0.000 1.228 447 E HN 0.300 nan 8.360 nan 0.000 0.417 448 L N 3.983 125.161 121.223 -0.075 0.000 2.454 448 L HA 0.223 4.565 4.340 0.003 0.000 0.258 448 L C 0.630 177.407 176.870 -0.155 0.000 1.025 448 L CA -0.527 54.192 54.840 -0.203 0.000 0.901 448 L CB 1.143 42.919 42.059 -0.472 0.000 1.210 448 L HN 0.890 nan 8.230 nan 0.000 0.457 449 M N 1.655 121.200 119.600 -0.093 0.000 2.492 449 M HA -0.311 4.171 4.480 0.003 0.000 0.253 449 M C 1.776 178.071 176.300 -0.009 0.000 1.038 449 M CA 2.594 57.868 55.300 -0.043 0.000 1.046 449 M CB -1.350 31.226 32.600 -0.041 0.000 1.330 449 M HN 0.716 nan 8.290 nan 0.000 0.440 450 G N -1.222 107.559 108.800 -0.031 0.000 2.443 450 G HA2 -0.124 3.838 3.960 0.003 0.000 0.219 450 G HA3 -0.124 3.838 3.960 0.003 0.000 0.219 450 G C 0.493 175.553 174.900 0.268 0.000 1.131 450 G CA 0.047 45.196 45.100 0.081 0.000 0.775 450 G HN 0.268 nan 8.290 nan 0.000 0.547 451 F N 0.506 120.441 119.950 -0.025 0.000 2.389 451 F HA 0.441 4.969 4.527 0.002 0.000 0.337 451 F C 0.751 176.533 175.800 -0.031 0.000 1.112 451 F CA -2.247 55.730 58.000 -0.038 0.000 1.192 451 F CB 1.233 40.206 39.000 -0.046 0.000 1.185 451 F HN -0.047 nan 8.300 nan 0.000 0.552 452 V N 0.160 120.141 119.914 0.111 0.000 2.617 452 V HA 0.439 4.561 4.120 0.003 0.000 0.298 452 V C 0.250 176.368 176.094 0.041 0.000 1.048 452 V CA -0.646 61.682 62.300 0.045 0.000 0.964 452 V CB 1.726 33.542 31.823 -0.012 0.000 1.004 452 V HN 0.775 nan 8.190 nan 0.000 0.466 453 D N 1.351 121.777 120.400 0.043 0.000 2.449 453 D HA -0.025 4.617 4.640 0.003 0.000 0.210 453 D C 0.587 176.908 176.300 0.035 0.000 1.094 453 D CA 0.624 54.656 54.000 0.052 0.000 0.846 453 D CB 0.053 40.892 40.800 0.065 0.000 1.003 453 D HN 0.747 nan 8.370 nan 0.000 0.504 454 D N 0.697 121.105 120.400 0.015 0.000 2.881 454 D HA 0.119 4.761 4.640 0.003 0.000 0.240 454 D C -0.076 176.220 176.300 -0.006 0.000 1.249 454 D CA -0.144 53.861 54.000 0.009 0.000 0.839 454 D CB -0.037 40.765 40.800 0.003 0.000 1.042 454 D HN 0.088 nan 8.370 nan 0.000 0.475 455 Q N -0.466 119.324 119.800 -0.017 0.000 2.578 455 Q HA 0.193 4.535 4.340 0.003 0.000 0.284 455 Q C -1.192 174.766 176.000 -0.072 0.000 0.960 455 Q CA -0.668 55.101 55.803 -0.056 0.000 0.809 455 Q CB 1.879 30.555 28.738 -0.104 0.000 1.462 455 Q HN 0.243 nan 8.270 nan 0.000 0.392 456 Q N 0.924 120.655 119.800 -0.115 0.000 2.267 456 Q HA 0.322 4.664 4.340 0.003 0.000 0.255 456 Q C -0.846 174.956 176.000 -0.330 0.000 0.923 456 Q CA 0.173 55.912 55.803 -0.107 0.000 0.925 456 Q CB 1.034 29.786 28.738 0.022 0.000 1.195 456 Q HN 0.453 nan 8.270 nan 0.000 0.417 457 T N 4.307 118.753 114.554 -0.180 0.000 2.856 457 T HA 0.219 4.571 4.350 0.003 0.000 0.292 457 T C 0.075 174.780 174.700 0.007 0.000 0.980 457 T CA -0.308 61.606 62.100 -0.311 0.000 1.091 457 T CB 0.362 68.963 68.868 -0.446 0.000 0.936 457 T HN 0.421 nan 8.240 nan 0.000 0.503 458 F N 1.214 121.101 119.950 -0.103 0.000 2.678 458 F HA 0.497 5.026 4.527 0.003 0.000 0.291 458 F C 0.173 176.077 175.800 0.173 0.000 1.123 458 F CA -0.870 57.209 58.000 0.130 0.000 1.395 458 F CB 0.021 39.096 39.000 0.126 0.000 1.121 458 F HN 0.490 nan 8.300 nan 0.000 0.592 459 F N 0.025 119.739 119.950 -0.394 0.000 2.708 459 F HA 0.481 5.009 4.527 0.002 0.000 0.309 459 F C -1.199 173.956 175.800 -1.075 0.000 1.120 459 F CA -1.616 55.917 58.000 -0.779 0.000 0.978 459 F CB 1.072 39.968 39.000 -0.173 0.000 1.283 459 F HN -0.019 nan 8.300 nan 0.000 0.439 460 C N 2.421 120.195 119.300 -2.543 0.000 3.312 460 C HA 1.064 5.526 4.460 0.003 0.000 0.332 460 C C -0.423 173.817 174.990 -1.250 0.000 1.340 460 C CA -0.036 58.113 59.018 -1.448 0.000 1.265 460 C CB 1.247 28.343 27.740 -1.074 0.000 1.563 460 C HN 2.181 nan 8.230 nan 0.000 0.471 461 G N 1.706 110.238 108.800 -0.446 0.000 2.343 461 G HA2 0.373 4.335 3.960 0.003 0.000 0.289 461 G HA3 0.373 4.335 3.960 0.003 0.000 0.289 461 G C -2.046 172.890 174.900 0.060 0.000 1.295 461 G CA -0.954 44.062 45.100 -0.142 0.000 0.869 461 G HN 1.086 nan 8.290 nan 0.000 0.522 462 N N -0.338 118.429 118.700 0.112 0.000 2.514 462 N HA 0.556 5.298 4.740 0.003 0.000 0.277 462 N C 0.474 176.055 175.510 0.118 0.000 1.126 462 N CA 0.197 53.319 53.050 0.120 0.000 0.978 462 N CB 1.973 40.541 38.487 0.134 0.000 1.106 462 N HN 0.934 nan 8.380 nan 0.000 0.461 463 V N -1.206 118.756 119.914 0.080 0.000 3.156 463 V HA 0.889 5.011 4.120 0.003 0.000 0.311 463 V C 0.154 176.226 176.094 -0.037 0.000 1.208 463 V CA -1.534 60.785 62.300 0.032 0.000 1.063 463 V CB 0.892 32.733 31.823 0.030 0.000 1.098 463 V HN 0.665 nan 8.190 nan 0.000 0.452 464 A N -0.286 122.441 122.820 -0.155 0.000 2.555 464 A HA 0.414 4.736 4.320 0.003 0.000 0.233 464 A C 0.593 177.980 177.584 -0.328 0.000 1.060 464 A CA 1.070 52.896 52.037 -0.351 0.000 0.759 464 A CB -1.347 17.249 19.000 -0.673 0.000 0.995 464 A HN 1.897 nan 8.150 nan 0.000 0.506 465 H N -0.438 118.651 119.070 0.031 0.000 2.944 465 H HA -0.126 4.432 4.556 0.004 0.000 0.313 465 H C 0.099 175.449 175.328 0.037 0.000 1.293 465 H CA 0.261 56.331 56.048 0.035 0.000 1.173 465 H CB -1.994 27.792 29.762 0.040 0.000 1.420 465 H HN 0.889 nan 8.280 nan 0.000 0.432 466 Q N -1.277 118.595 119.800 0.120 0.000 2.435 466 Q HA -0.244 4.098 4.340 0.003 0.000 0.286 466 Q C -0.119 175.929 176.000 0.080 0.000 1.229 466 Q CA 1.745 57.598 55.803 0.084 0.000 0.884 466 Q CB -0.697 28.084 28.738 0.073 0.000 1.245 466 Q HN 0.768 nan 8.270 nan 0.000 0.488 467 Q N -0.798 119.051 119.800 0.081 0.000 2.240 467 Q HA 0.748 5.090 4.340 0.003 0.000 0.260 467 Q C -0.757 175.289 176.000 0.077 0.000 1.018 467 Q CA -1.177 54.674 55.803 0.079 0.000 0.898 467 Q CB 1.327 30.120 28.738 0.091 0.000 1.301 467 Q HN 0.094 nan 8.270 nan 0.000 0.469 468 L N 1.088 122.368 121.223 0.095 0.000 2.401 468 L HA 0.577 4.919 4.340 0.003 0.000 0.266 468 L C -1.094 175.877 176.870 0.169 0.000 0.991 468 L CA -0.345 54.576 54.840 0.135 0.000 0.818 468 L CB 2.100 44.241 42.059 0.135 0.000 1.321 468 L HN 0.586 nan 8.230 nan 0.000 0.413 469 I N 2.132 122.790 120.570 0.146 0.000 2.646 469 I HA 0.519 4.691 4.170 0.003 0.000 0.299 469 I C -1.175 174.882 176.117 -0.098 0.000 1.036 469 I CA -0.320 61.028 61.300 0.080 0.000 1.074 469 I CB 1.809 39.870 38.000 0.102 0.000 1.258 469 I HN 0.701 nan 8.210 nan 0.000 0.430 470 Q N 7.876 127.540 119.800 -0.227 0.000 2.275 470 Q HA 0.493 4.835 4.340 0.003 0.000 0.266 470 Q C -2.002 173.805 176.000 -0.322 0.000 1.002 470 Q CA -0.622 54.849 55.803 -0.554 0.000 0.761 470 Q CB 1.781 29.858 28.738 -1.102 0.000 1.255 470 Q HN 0.636 nan 8.270 nan 0.000 0.446 471 I N 3.725 124.129 120.570 -0.277 0.000 2.355 471 I HA 0.345 4.517 4.170 0.003 0.000 0.288 471 I C 0.436 176.394 176.117 -0.265 0.000 0.999 471 I CA -0.584 60.628 61.300 -0.147 0.000 1.163 471 I CB 1.592 39.605 38.000 0.022 0.000 1.316 471 I HN 0.622 nan 8.210 nan 0.000 0.454 472 T N 0.735 115.111 114.554 -0.296 0.000 2.919 472 T HA 0.230 4.582 4.350 0.003 0.000 0.282 472 T C 1.230 175.628 174.700 -0.503 0.000 1.020 472 T CA -0.070 61.739 62.100 -0.486 0.000 0.994 472 T CB 1.697 70.358 68.868 -0.344 0.000 1.180 472 T HN 0.592 nan 8.240 nan 0.000 0.566 473 S N 0.166 115.453 115.700 -0.689 0.000 2.419 473 S HA -0.021 4.451 4.470 0.003 0.000 0.233 473 S C 2.238 176.778 174.600 -0.101 0.000 1.016 473 S CA 0.799 58.802 58.200 -0.329 0.000 0.974 473 S CB -1.092 61.992 63.200 -0.194 0.000 0.786 473 S HN 1.041 nan 8.310 nan 0.000 0.492 474 A N 1.185 123.928 122.820 -0.128 0.000 1.935 474 A HA 0.456 4.778 4.320 0.003 0.000 0.214 474 A C 1.300 178.855 177.584 -0.048 0.000 1.178 474 A CA 0.824 52.818 52.037 -0.073 0.000 0.640 474 A CB -0.267 18.686 19.000 -0.078 0.000 0.825 474 A HN 1.189 nan 8.150 nan 0.000 0.447 475 S N -3.109 112.569 115.700 -0.038 0.000 2.656 475 S HA 0.389 4.861 4.470 0.003 0.000 0.265 475 S C -1.239 173.387 174.600 0.043 0.000 1.110 475 S CA -0.004 58.218 58.200 0.037 0.000 0.821 475 S CB 0.804 64.007 63.200 0.005 0.000 1.099 475 S HN 1.320 nan 8.310 nan 0.000 0.471 476 V N 1.397 121.392 119.914 0.135 0.000 2.384 476 V HA 0.759 4.881 4.120 0.003 0.000 0.287 476 V C -0.913 175.228 176.094 0.079 0.000 1.020 476 V CA -0.456 61.893 62.300 0.082 0.000 0.850 476 V CB 0.908 32.792 31.823 0.102 0.000 0.987 476 V HN 0.908 nan 8.190 nan 0.000 0.436 477 R N 5.672 126.182 120.500 0.016 0.000 2.445 477 R HA 0.635 4.977 4.340 0.003 0.000 0.308 477 R C -1.222 175.114 176.300 0.060 0.000 0.961 477 R CA -0.779 55.344 56.100 0.039 0.000 0.862 477 R CB 1.974 32.283 30.300 0.016 0.000 1.144 477 R HN 0.645 nan 8.270 nan 0.000 0.447 478 L N 3.528 124.801 121.223 0.085 0.000 2.282 478 L HA 0.444 4.786 4.340 0.003 0.000 0.288 478 L C -1.030 175.904 176.870 0.106 0.000 1.033 478 L CA -0.504 54.393 54.840 0.095 0.000 0.807 478 L CB 1.807 43.921 42.059 0.092 0.000 1.209 478 L HN 0.371 nan 8.230 nan 0.000 0.423 479 V N 4.129 124.118 119.914 0.125 0.000 2.555 479 V HA 0.583 4.705 4.120 0.003 0.000 0.302 479 V C 0.176 176.317 176.094 0.077 0.000 1.038 479 V CA -0.462 61.904 62.300 0.111 0.000 0.887 479 V CB 2.114 34.031 31.823 0.155 0.000 0.991 479 V HN 0.953 nan 8.190 nan 0.000 0.434 480 S N 4.099 119.831 115.700 0.054 0.000 2.634 480 S HA 0.351 4.823 4.470 0.003 0.000 0.261 480 S C 0.248 174.861 174.600 0.021 0.000 1.271 480 S CA -0.253 57.973 58.200 0.043 0.000 0.985 480 S CB 1.599 64.821 63.200 0.035 0.000 0.968 480 S HN 0.693 nan 8.310 nan 0.000 0.568 481 Q N 0.408 120.221 119.800 0.021 0.000 2.619 481 Q HA 0.097 4.439 4.340 0.003 0.000 0.195 481 Q C 2.026 178.025 176.000 -0.001 0.000 0.910 481 Q CA 0.580 56.386 55.803 0.005 0.000 0.862 481 Q CB -0.659 28.091 28.738 0.019 0.000 1.123 481 Q HN 0.832 nan 8.270 nan 0.000 0.636 482 E N 1.106 121.312 120.200 0.009 0.000 2.031 482 E HA -0.128 4.224 4.350 0.003 0.000 0.193 482 E C -0.802 175.799 176.600 0.002 0.000 0.994 482 E CA 1.528 57.931 56.400 0.005 0.000 0.800 482 E CB -1.254 28.453 29.700 0.010 0.000 0.752 482 E HN 0.309 nan 8.360 nan 0.000 0.447 483 P HA -0.086 nan 4.420 nan 0.000 0.217 483 P C -0.567 176.733 177.300 0.000 0.000 1.150 483 P CA 0.831 63.935 63.100 0.006 0.000 0.832 483 P CB 0.170 31.877 31.700 0.012 0.000 0.787 484 K N -0.949 119.449 120.400 -0.002 0.000 5.829 484 K HA 0.012 4.334 4.320 0.003 0.000 0.459 484 K C -0.701 175.892 176.600 -0.012 0.000 1.139 484 K CA 0.767 57.045 56.287 -0.016 0.000 1.349 484 K CB -1.581 30.901 32.500 -0.031 0.000 1.801 484 K HN 0.332 nan 8.250 nan 0.000 0.385 485 A N 2.044 124.864 122.820 0.001 0.000 2.361 485 A HA 0.544 4.866 4.320 0.003 0.000 0.297 485 A C -1.802 175.804 177.584 0.036 0.000 1.036 485 A CA -0.563 51.482 52.037 0.013 0.000 0.589 485 A CB 0.259 19.266 19.000 0.013 0.000 1.418 485 A HN 0.767 nan 8.150 nan 0.000 0.539 486 L N 1.268 122.517 121.223 0.043 0.000 2.385 486 L HA 0.503 4.845 4.340 0.003 0.000 0.281 486 L C 0.943 177.842 176.870 0.049 0.000 1.106 486 L CA 0.831 55.704 54.840 0.056 0.000 0.856 486 L CB 1.102 43.191 42.059 0.051 0.000 1.186 486 L HN 1.397 nan 8.230 nan 0.000 0.453 487 V N 1.643 121.592 119.914 0.059 0.000 3.319 487 V HA 0.562 4.684 4.120 0.003 0.000 0.317 487 V C 0.236 176.368 176.094 0.063 0.000 1.411 487 V CA 0.593 62.926 62.300 0.056 0.000 1.112 487 V CB -0.317 31.541 31.823 0.059 0.000 1.031 487 V HN 0.843 nan 8.190 nan 0.000 0.448 488 S N -0.395 115.346 115.700 0.068 0.000 2.714 488 S HA 0.428 4.900 4.470 0.003 0.000 0.284 488 S C -1.677 172.974 174.600 0.085 0.000 1.019 488 S CA -0.161 58.085 58.200 0.078 0.000 0.856 488 S CB 1.515 64.771 63.200 0.094 0.000 1.075 488 S HN 0.783 nan 8.310 nan 0.000 0.455 489 E N 1.394 121.651 120.200 0.095 0.000 2.363 489 E HA 0.457 4.809 4.350 0.003 0.000 0.281 489 E C -2.120 174.573 176.600 0.155 0.000 0.953 489 E CA -0.574 55.889 56.400 0.106 0.000 0.778 489 E CB 1.270 31.000 29.700 0.051 0.000 1.220 489 E HN 0.603 nan 8.360 nan 0.000 0.431 490 W N 3.929 125.217 121.300 -0.020 0.000 2.761 490 W HA 0.581 5.244 4.660 0.005 0.000 0.340 490 W C -1.245 175.235 176.519 -0.064 0.000 1.072 490 W CA -0.281 57.043 57.345 -0.034 0.000 1.215 490 W CB 1.290 30.736 29.460 -0.023 0.000 1.420 490 W HN 0.356 nan 8.180 nan 0.000 0.519 491 K N 3.257 123.106 120.400 -0.918 0.000 2.546 491 K HA 0.115 4.437 4.320 0.003 0.000 0.264 491 K C -0.856 174.806 176.600 -1.564 0.000 0.937 491 K CA -1.170 54.591 56.287 -0.877 0.000 0.833 491 K CB 2.123 34.363 32.500 -0.433 0.000 1.378 491 K HN 0.404 nan 8.250 nan 0.000 0.432 492 E N 2.683 122.222 120.200 -1.101 0.000 2.442 492 E HA -0.004 4.348 4.350 0.003 0.000 0.262 492 E C -1.805 174.461 176.600 -0.556 0.000 1.004 492 E CA -1.023 54.873 56.400 -0.840 0.000 0.928 492 E CB 0.708 30.191 29.700 -0.363 0.000 0.937 492 E HN 0.227 nan 8.360 nan 0.000 0.446 493 P HA -0.128 nan 4.420 nan 0.000 0.227 493 P C -0.045 177.155 177.300 -0.166 0.000 1.145 493 P CA 1.316 64.275 63.100 -0.235 0.000 0.769 493 P CB 0.168 31.797 31.700 -0.117 0.000 0.769 494 Q N -2.584 117.121 119.800 -0.158 0.000 2.084 494 Q HA 0.491 4.833 4.340 0.003 0.000 0.230 494 Q C 0.708 176.645 176.000 -0.104 0.000 0.806 494 Q CA 0.186 55.926 55.803 -0.105 0.000 1.083 494 Q CB 0.649 29.348 28.738 -0.064 0.000 1.208 494 Q HN 0.031 nan 8.270 nan 0.000 0.462 495 A N 0.660 123.392 122.820 -0.147 0.000 3.396 495 A HA -0.268 4.054 4.320 0.003 0.000 0.267 495 A C 0.307 177.839 177.584 -0.087 0.000 1.139 495 A CA 1.243 53.207 52.037 -0.122 0.000 1.115 495 A CB -1.513 17.434 19.000 -0.088 0.000 1.133 495 A HN 0.339 nan 8.150 nan 0.000 0.920 496 K N 0.433 120.788 120.400 -0.075 0.000 2.518 496 K HA 0.170 4.492 4.320 0.003 0.000 0.276 496 K C 0.139 176.730 176.600 -0.016 0.000 0.974 496 K CA 0.389 56.657 56.287 -0.032 0.000 0.986 496 K CB 0.047 32.539 32.500 -0.013 0.000 0.901 496 K HN 0.581 nan 8.250 nan 0.000 0.497 497 N N 1.410 120.122 118.700 0.020 0.000 2.530 497 N HA 0.147 4.889 4.740 0.003 0.000 0.273 497 N C -0.284 175.293 175.510 0.110 0.000 1.173 497 N CA -0.225 52.856 53.050 0.052 0.000 0.967 497 N CB 0.534 39.060 38.487 0.066 0.000 1.109 497 N HN 0.328 nan 8.380 nan 0.000 0.453 498 I N 1.115 121.773 120.570 0.147 0.000 2.556 498 I HA -0.039 4.133 4.170 0.003 0.000 0.284 498 I C 1.189 177.518 176.117 0.353 0.000 1.114 498 I CA 0.100 61.540 61.300 0.232 0.000 1.418 498 I CB 0.707 38.852 38.000 0.240 0.000 1.394 498 I HN 0.707 nan 8.210 nan 0.000 0.552 499 S N 4.859 120.721 115.700 0.270 0.000 2.499 499 S HA 0.200 4.672 4.470 0.003 0.000 0.225 499 S C 0.409 175.059 174.600 0.083 0.000 1.050 499 S CA -0.177 58.149 58.200 0.209 0.000 0.928 499 S CB 0.353 63.633 63.200 0.134 0.000 0.803 499 S HN 0.380 nan 8.310 nan 0.000 0.506 500 V N 1.053 121.040 119.914 0.122 0.000 2.841 500 V HA 0.837 4.958 4.120 0.003 0.000 0.310 500 V C -0.859 175.317 176.094 0.136 0.000 1.090 500 V CA -0.610 61.722 62.300 0.053 0.000 0.930 500 V CB 1.618 33.483 31.823 0.071 0.000 1.014 500 V HN 0.533 nan 8.190 nan 0.000 0.425 501 A N 2.525 125.425 122.820 0.133 0.000 2.411 501 A HA 0.823 5.145 4.320 0.003 0.000 0.285 501 A C -0.261 177.366 177.584 0.073 0.000 1.129 501 A CA -0.356 51.776 52.037 0.157 0.000 0.736 501 A CB 1.402 20.581 19.000 0.298 0.000 1.186 501 A HN 1.089 nan 8.150 nan 0.000 0.445 502 S N 0.294 115.985 115.700 -0.016 0.000 2.537 502 S HA 0.803 5.275 4.470 0.003 0.000 0.301 502 S C -0.476 173.964 174.600 -0.266 0.000 1.092 502 S CA -0.696 57.432 58.200 -0.120 0.000 1.048 502 S CB 1.357 64.518 63.200 -0.065 0.000 1.053 502 S HN 2.018 nan 8.310 nan 0.000 0.501 503 C N 3.617 122.616 119.300 -0.502 0.000 3.178 503 C HA 0.626 5.088 4.460 0.003 0.000 0.428 503 C C -0.962 173.688 174.990 -0.568 0.000 0.967 503 C CA -0.448 58.229 59.018 -0.568 0.000 1.205 503 C CB -0.095 27.220 27.740 -0.708 0.000 1.584 503 C HN 1.232 nan 8.230 nan 0.000 0.591 504 N N 2.372 120.917 118.700 -0.258 0.000 2.776 504 N HA 0.486 5.228 4.740 0.003 0.000 0.319 504 N C 1.033 176.513 175.510 -0.049 0.000 1.316 504 N CA 0.052 53.028 53.050 -0.123 0.000 0.890 504 N CB 0.447 38.885 38.487 -0.082 0.000 1.165 504 N HN 0.719 nan 8.380 nan 0.000 0.596 505 S N -1.566 114.130 115.700 -0.007 0.000 2.419 505 S HA -0.151 4.321 4.470 0.003 0.000 0.233 505 S C 1.145 175.708 174.600 -0.061 0.000 1.016 505 S CA 1.392 59.590 58.200 -0.004 0.000 0.974 505 S CB -0.934 62.265 63.200 -0.001 0.000 0.786 505 S HN 0.726 nan 8.310 nan 0.000 0.492 506 S N -0.339 115.315 115.700 -0.076 0.000 2.632 506 S HA 0.331 4.803 4.470 0.003 0.000 0.237 506 S C 0.075 174.625 174.600 -0.083 0.000 1.037 506 S CA -0.818 57.312 58.200 -0.117 0.000 1.009 506 S CB 0.002 63.127 63.200 -0.124 0.000 0.974 506 S HN 0.717 nan 8.310 nan 0.000 0.544 507 Q N 0.310 120.083 119.800 -0.044 0.000 2.456 507 Q HA 0.832 5.174 4.340 0.003 0.000 0.283 507 Q C -1.636 174.348 176.000 -0.025 0.000 1.084 507 Q CA -1.152 54.667 55.803 0.027 0.000 0.801 507 Q CB 2.553 31.349 28.738 0.097 0.000 1.434 507 Q HN 0.067 nan 8.270 nan 0.000 0.419 508 V N 1.013 120.943 119.914 0.026 0.000 2.789 508 V HA 0.583 4.705 4.120 0.003 0.000 0.311 508 V C -1.074 175.037 176.094 0.028 0.000 1.073 508 V CA -0.755 61.523 62.300 -0.036 0.000 0.921 508 V CB 2.263 34.042 31.823 -0.073 0.000 1.009 508 V HN 0.626 nan 8.190 nan 0.000 0.426 509 V N 4.803 124.713 119.914 -0.006 0.000 2.488 509 V HA 0.525 4.647 4.120 0.003 0.000 0.293 509 V C -0.389 175.740 176.094 0.058 0.000 1.027 509 V CA -0.521 61.821 62.300 0.071 0.000 0.862 509 V CB 1.924 33.784 31.823 0.062 0.000 1.008 509 V HN 0.774 nan 8.190 nan 0.000 0.428 510 V N 2.184 122.141 119.914 0.071 0.000 2.881 510 V HA 1.070 5.192 4.120 0.003 0.000 0.316 510 V C 0.072 176.271 176.094 0.174 0.000 1.070 510 V CA -0.720 61.639 62.300 0.099 0.000 0.976 510 V CB 1.964 33.826 31.823 0.065 0.000 1.038 510 V HN 1.022 nan 8.190 nan 0.000 0.446 511 A N 2.002 124.927 122.820 0.176 0.000 2.374 511 A HA 0.858 5.180 4.320 0.003 0.000 0.317 511 A C -0.762 176.943 177.584 0.202 0.000 1.094 511 A CA -0.666 51.483 52.037 0.187 0.000 0.765 511 A CB 2.020 21.097 19.000 0.128 0.000 1.268 511 A HN 1.442 nan 8.150 nan 0.000 0.438 512 V N 2.977 123.021 119.914 0.218 0.000 2.315 512 V HA 0.557 4.679 4.120 0.003 0.000 0.265 512 V C 1.096 177.261 176.094 0.119 0.000 1.019 512 V CA 0.590 62.996 62.300 0.175 0.000 0.824 512 V CB -0.407 31.537 31.823 0.200 0.000 1.072 512 V HN 2.049 nan 8.190 nan 0.000 0.448 513 G N 5.168 114.013 108.800 0.075 0.000 4.026 513 G HA2 -0.344 3.618 3.960 0.003 0.000 0.309 513 G HA3 -0.344 3.618 3.960 0.003 0.000 0.309 513 G C 0.893 175.799 174.900 0.011 0.000 1.411 513 G CA 0.964 46.071 45.100 0.011 0.000 1.037 513 G HN 0.565 nan 8.290 nan 0.000 0.687 514 R N 1.147 121.655 120.500 0.014 0.000 2.419 514 R HA 0.633 4.975 4.340 0.003 0.000 0.235 514 R C 1.100 177.396 176.300 -0.007 0.000 0.899 514 R CA 0.594 56.693 56.100 -0.002 0.000 1.048 514 R CB 0.784 31.070 30.300 -0.024 0.000 1.182 514 R HN 0.743 nan 8.270 nan 0.000 0.544 515 A N 1.515 124.364 122.820 0.048 0.000 2.409 515 A HA 0.406 4.728 4.320 0.003 0.000 0.262 515 A C -0.771 176.849 177.584 0.059 0.000 1.113 515 A CA -0.159 51.910 52.037 0.053 0.000 0.790 515 A CB 0.329 19.472 19.000 0.239 0.000 1.046 515 A HN 0.065 nan 8.150 nan 0.000 0.496 516 L N 2.610 123.731 121.223 -0.170 0.000 2.341 516 L HA 0.608 4.950 4.340 0.003 0.000 0.278 516 L C -1.402 175.353 176.870 -0.191 0.000 1.005 516 L CA -0.112 54.617 54.840 -0.185 0.000 0.818 516 L CB 1.379 43.081 42.059 -0.594 0.000 1.259 516 L HN 0.624 nan 8.230 nan 0.000 0.418 517 Y N 3.590 123.961 120.300 0.118 0.000 2.338 517 Y HA 0.326 4.878 4.550 0.003 0.000 0.333 517 Y C -0.922 175.132 175.900 0.256 0.000 0.968 517 Y CA -0.609 57.607 58.100 0.193 0.000 1.123 517 Y CB 1.513 39.952 38.460 -0.035 0.000 1.165 517 Y HN 0.469 nan 8.280 nan 0.000 0.452 518 Y N 5.495 125.987 120.300 0.320 0.000 2.367 518 Y HA 0.698 5.250 4.550 0.003 0.000 0.342 518 Y C -1.257 174.634 175.900 -0.015 0.000 0.979 518 Y CA -0.821 57.339 58.100 0.101 0.000 1.161 518 Y CB 0.563 38.970 38.460 -0.090 0.000 1.155 518 Y HN 0.516 nan 8.280 nan 0.000 0.503 519 L N 5.783 127.087 121.223 0.136 0.000 2.341 519 L HA 0.528 4.870 4.340 0.003 0.000 0.267 519 L C -0.801 176.011 176.870 -0.098 0.000 1.009 519 L CA -1.060 53.687 54.840 -0.155 0.000 0.819 519 L CB 2.366 44.261 42.059 -0.273 0.000 1.323 519 L HN 0.592 nan 8.230 nan 0.000 0.425 520 Q N 1.250 120.963 119.800 -0.146 0.000 2.387 520 Q HA 0.592 4.934 4.340 0.003 0.000 0.273 520 Q C -1.237 174.694 176.000 -0.115 0.000 1.089 520 Q CA -0.835 54.904 55.803 -0.106 0.000 0.824 520 Q CB 3.228 31.892 28.738 -0.123 0.000 1.367 520 Q HN 0.497 nan 8.270 nan 0.000 0.443 521 I N 3.236 123.678 120.570 -0.213 0.000 2.297 521 I HA 0.257 4.429 4.170 0.003 0.000 0.291 521 I C -0.029 175.897 176.117 -0.318 0.000 1.033 521 I CA -0.232 60.959 61.300 -0.183 0.000 1.253 521 I CB 0.220 38.134 38.000 -0.143 0.000 1.396 521 I HN 0.392 nan 8.210 nan 0.000 0.476 522 H N 6.001 125.147 119.070 0.126 0.000 2.824 522 H HA 0.474 5.032 4.556 0.004 0.000 0.345 522 H C -2.425 173.077 175.328 0.291 0.000 1.252 522 H CA -2.170 54.030 56.048 0.254 0.000 1.246 522 H CB 1.563 31.404 29.762 0.132 0.000 1.908 522 H HN 0.187 nan 8.280 nan 0.000 0.601 523 P HA 0.007 nan 4.420 nan 0.000 0.268 523 P C -0.312 177.067 177.300 0.130 0.000 1.204 523 P CA 0.421 63.610 63.100 0.148 0.000 0.768 523 P CB 0.352 32.008 31.700 -0.073 0.000 0.842 524 Q N -0.390 119.480 119.800 0.116 0.000 2.370 524 Q HA -0.258 4.084 4.340 0.003 0.000 0.266 524 Q C -0.088 175.970 176.000 0.096 0.000 1.094 524 Q CA 1.792 57.649 55.803 0.090 0.000 0.972 524 Q CB -1.810 26.963 28.738 0.058 0.000 1.413 524 Q HN 0.687 nan 8.270 nan 0.000 0.536 525 E N -1.714 118.563 120.200 0.127 0.000 2.380 525 E HA 0.586 4.938 4.350 0.003 0.000 0.281 525 E C -1.462 175.227 176.600 0.149 0.000 0.999 525 E CA -0.930 55.546 56.400 0.126 0.000 0.800 525 E CB 1.026 30.791 29.700 0.108 0.000 1.228 525 E HN 0.083 nan 8.360 nan 0.000 0.436 526 L N 2.437 123.743 121.223 0.139 0.000 2.305 526 L HA 0.576 4.918 4.340 0.003 0.000 0.284 526 L C -0.083 176.865 176.870 0.129 0.000 1.013 526 L CA -0.783 54.129 54.840 0.120 0.000 0.819 526 L CB 1.565 43.698 42.059 0.123 0.000 1.227 526 L HN 0.532 nan 8.230 nan 0.000 0.417 527 R N 2.946 123.512 120.500 0.110 0.000 2.255 527 R HA 0.216 4.558 4.340 0.003 0.000 0.326 527 R C -0.369 175.929 176.300 -0.003 0.000 0.986 527 R CA -0.500 55.653 56.100 0.088 0.000 0.847 527 R CB 1.172 31.550 30.300 0.129 0.000 1.111 527 R HN 0.566 nan 8.270 nan 0.000 0.452 528 Q N 5.645 125.475 119.800 0.050 0.000 2.472 528 Q HA 0.090 4.432 4.340 0.003 0.000 0.227 528 Q C 0.467 176.460 176.000 -0.012 0.000 1.156 528 Q CA -0.071 55.753 55.803 0.034 0.000 0.924 528 Q CB 0.555 29.453 28.738 0.265 0.000 1.354 528 Q HN 0.784 nan 8.270 nan 0.000 0.525 529 I N 1.411 121.857 120.570 -0.207 0.000 2.493 529 I HA -0.168 4.004 4.170 0.003 0.000 0.254 529 I C 0.807 176.866 176.117 -0.097 0.000 1.160 529 I CA 0.714 61.860 61.300 -0.256 0.000 1.445 529 I CB -0.063 37.551 38.000 -0.644 0.000 1.086 529 I HN 0.595 nan 8.210 nan 0.000 0.433 530 S N -0.887 114.829 115.700 0.026 0.000 2.671 530 S HA 0.533 5.005 4.470 0.003 0.000 0.270 530 S C -0.992 173.833 174.600 0.376 0.000 1.166 530 S CA -0.901 57.403 58.200 0.173 0.000 0.868 530 S CB 1.843 65.115 63.200 0.121 0.000 1.190 530 S HN 0.390 nan 8.310 nan 0.000 0.494 531 H N -1.586 117.645 119.070 0.267 0.000 3.005 531 H HA 0.786 5.344 4.556 0.003 0.000 0.311 531 H C -1.419 173.849 175.328 -0.101 0.000 1.366 531 H CA -0.223 55.824 56.048 -0.002 0.000 1.210 531 H CB 1.197 30.698 29.762 -0.436 0.000 1.894 531 H HN 0.900 nan 8.280 nan 0.000 0.520 532 T N 1.082 115.460 114.554 -0.294 0.000 2.802 532 T HA 0.298 4.650 4.350 0.003 0.000 0.311 532 T C -1.392 173.171 174.700 -0.229 0.000 1.405 532 T CA -0.894 61.013 62.100 -0.323 0.000 1.016 532 T CB 2.074 70.676 68.868 -0.444 0.000 1.352 532 T HN 0.733 nan 8.240 nan 0.000 0.498 533 E N 1.956 122.067 120.200 -0.148 0.000 2.129 533 E HA 0.421 4.773 4.350 0.003 0.000 0.268 533 E C -0.464 176.058 176.600 -0.130 0.000 0.900 533 E CA -0.817 55.519 56.400 -0.108 0.000 0.755 533 E CB 0.559 30.231 29.700 -0.046 0.000 1.117 533 E HN 0.335 nan 8.360 nan 0.000 0.410 534 M N 3.101 122.623 119.600 -0.130 0.000 2.233 534 M HA 0.079 4.561 4.480 0.003 0.000 0.350 534 M C 0.865 177.080 176.300 -0.142 0.000 1.176 534 M CA 0.483 55.714 55.300 -0.115 0.000 1.150 534 M CB 0.393 32.952 32.600 -0.069 0.000 1.530 534 M HN 0.597 nan 8.290 nan 0.000 0.459 535 E N 1.043 121.115 120.200 -0.214 0.000 2.393 535 E HA -0.166 4.186 4.350 0.003 0.000 0.201 535 E C -0.153 175.972 176.600 -0.792 0.000 1.025 535 E CA 1.058 57.179 56.400 -0.466 0.000 0.856 535 E CB -0.062 29.317 29.700 -0.536 0.000 0.771 535 E HN 0.493 nan 8.360 nan 0.000 0.526 536 H N -1.012 118.066 119.070 0.013 0.000 2.990 536 H HA 0.180 4.738 4.556 0.003 0.000 0.336 536 H C -0.805 174.542 175.328 0.030 0.000 1.306 536 H CA -1.066 55.001 56.048 0.032 0.000 1.118 536 H CB 0.824 30.633 29.762 0.078 0.000 1.856 536 H HN -0.116 nan 8.280 nan 0.000 0.538 537 E N 1.217 121.506 120.200 0.149 0.000 2.465 537 E HA 0.141 4.493 4.350 0.003 0.000 0.260 537 E C -0.677 176.053 176.600 0.217 0.000 0.980 537 E CA -0.047 56.345 56.400 -0.013 0.000 0.927 537 E CB 0.373 29.787 29.700 -0.475 0.000 0.934 537 E HN 0.285 nan 8.360 nan 0.000 0.459 538 V N 4.620 124.641 119.914 0.178 0.000 2.614 538 V HA 0.328 4.450 4.120 0.003 0.000 0.291 538 V C 1.002 177.345 176.094 0.414 0.000 1.049 538 V CA 0.647 63.091 62.300 0.240 0.000 1.038 538 V CB 0.988 32.893 31.823 0.136 0.000 0.980 538 V HN 0.915 nan 8.190 nan 0.000 0.481 539 A N 3.358 126.375 122.820 0.328 0.000 1.984 539 A HA 0.376 4.698 4.320 0.003 0.000 0.203 539 A C 0.854 178.497 177.584 0.098 0.000 1.292 539 A CA 0.905 53.068 52.037 0.211 0.000 0.782 539 A CB 0.201 19.168 19.000 -0.054 0.000 0.924 539 A HN 1.072 nan 8.150 nan 0.000 0.475 540 C N -2.264 117.083 119.300 0.080 0.000 3.239 540 C HA 0.830 5.292 4.460 0.003 0.000 0.317 540 C C -1.105 173.920 174.990 0.060 0.000 1.310 540 C CA -1.248 57.805 59.018 0.059 0.000 1.371 540 C CB 0.461 28.227 27.740 0.042 0.000 1.714 540 C HN 0.362 nan 8.230 nan 0.000 0.473 541 L N 1.216 122.472 121.223 0.054 0.000 2.393 541 L HA 0.804 5.146 4.340 0.003 0.000 0.260 541 L C -1.369 175.518 176.870 0.028 0.000 1.002 541 L CA -0.037 54.828 54.840 0.043 0.000 0.818 541 L CB 2.208 44.293 42.059 0.044 0.000 1.369 541 L HN 0.908 nan 8.230 nan 0.000 0.412 542 D N 1.455 121.861 120.400 0.010 0.000 2.927 542 D HA 0.492 5.134 4.640 0.003 0.000 0.219 542 D C -0.747 175.529 176.300 -0.040 0.000 1.248 542 D CA -0.359 53.636 54.000 -0.009 0.000 0.861 542 D CB 1.975 42.782 40.800 0.011 0.000 1.677 542 D HN 0.473 nan 8.370 nan 0.000 0.511 543 I N 0.102 120.630 120.570 -0.069 0.000 3.007 543 I HA 0.352 4.524 4.170 0.003 0.000 0.333 543 I C -0.549 175.512 176.117 -0.094 0.000 1.489 543 I CA -0.538 60.701 61.300 -0.101 0.000 0.906 543 I CB 0.981 38.896 38.000 -0.143 0.000 1.702 543 I HN 0.049 nan 8.210 nan 0.000 0.548 544 T N 5.922 120.436 114.554 -0.067 0.000 2.784 544 T HA 0.208 4.560 4.350 0.003 0.000 0.291 544 T C -2.270 172.385 174.700 -0.074 0.000 0.942 544 T CA -0.421 61.645 62.100 -0.057 0.000 1.161 544 T CB 0.429 69.277 68.868 -0.034 0.000 0.885 544 T HN 0.344 nan 8.240 nan 0.000 0.534 545 P HA 0.246 nan 4.420 nan 0.000 0.275 545 P C -0.596 176.648 177.300 -0.093 0.000 1.276 545 P CA -0.169 62.881 63.100 -0.083 0.000 0.782 545 P CB 0.501 32.163 31.700 -0.064 0.000 0.851 546 L N 2.577 123.714 121.223 -0.144 0.000 2.365 546 L HA 0.775 5.117 4.340 0.003 0.000 0.267 546 L C 1.191 177.928 176.870 -0.222 0.000 1.033 546 L CA -0.437 54.277 54.840 -0.210 0.000 0.802 546 L CB 0.827 42.668 42.059 -0.364 0.000 1.267 546 L HN 0.615 nan 8.230 nan 0.000 0.457 547 G N 1.007 109.681 108.800 -0.210 0.000 2.828 547 G HA2 -0.249 3.713 3.960 0.003 0.000 0.463 547 G HA3 -0.249 3.713 3.960 0.003 0.000 0.463 547 G C 0.017 174.910 174.900 -0.013 0.000 1.394 547 G CA 0.084 45.140 45.100 -0.074 0.000 0.862 547 G HN 0.955 nan 8.290 nan 0.000 0.540 548 D N -0.274 120.136 120.400 0.017 0.000 2.352 548 D HA 0.177 4.819 4.640 0.003 0.000 0.232 548 D C 1.339 177.639 176.300 0.001 0.000 1.055 548 D CA 1.011 55.020 54.000 0.015 0.000 0.891 548 D CB -0.081 40.734 40.800 0.025 0.000 0.897 548 D HN 0.725 nan 8.370 nan 0.000 0.529 549 S N -0.105 115.585 115.700 -0.016 0.000 2.612 549 S HA -0.009 4.463 4.470 0.003 0.000 0.253 549 S C 0.269 174.861 174.600 -0.013 0.000 1.346 549 S CA -0.442 57.747 58.200 -0.019 0.000 0.976 549 S CB 0.302 63.480 63.200 -0.038 0.000 0.949 549 S HN 0.247 nan 8.310 nan 0.000 0.584 550 N N 0.207 118.901 118.700 -0.011 0.000 2.626 550 N HA 0.281 5.023 4.740 0.003 0.000 0.249 550 N C 0.696 176.200 175.510 -0.011 0.000 1.021 550 N CA 0.581 53.627 53.050 -0.006 0.000 0.886 550 N CB 0.663 39.152 38.487 0.004 0.000 1.149 550 N HN 0.984 nan 8.380 nan 0.000 0.517 551 G N 2.050 110.840 108.800 -0.017 0.000 2.249 551 G HA2 -0.292 3.670 3.960 0.003 0.000 0.273 551 G HA3 -0.292 3.670 3.960 0.003 0.000 0.273 551 G C 0.102 174.982 174.900 -0.032 0.000 0.995 551 G CA 0.650 45.736 45.100 -0.024 0.000 0.671 551 G HN 0.478 nan 8.290 nan 0.000 0.539 552 L N 1.337 122.542 121.223 -0.029 0.000 2.295 552 L HA 0.638 4.980 4.340 0.003 0.000 0.281 552 L C 0.623 177.461 176.870 -0.053 0.000 1.018 552 L CA -0.161 54.661 54.840 -0.029 0.000 0.841 552 L CB 1.757 43.813 42.059 -0.004 0.000 1.218 552 L HN 0.131 nan 8.230 nan 0.000 0.424 553 S N 5.080 120.731 115.700 -0.082 0.000 2.528 553 S HA 0.369 4.841 4.470 0.003 0.000 0.277 553 S C -1.790 172.733 174.600 -0.128 0.000 1.297 553 S CA -0.912 57.222 58.200 -0.110 0.000 1.052 553 S CB 0.909 64.029 63.200 -0.132 0.000 0.917 553 S HN 0.470 nan 8.310 nan 0.000 0.492 554 P HA 0.282 nan 4.420 nan 0.000 0.245 554 P C -0.612 176.610 177.300 -0.130 0.000 1.199 554 P CA 0.323 63.360 63.100 -0.106 0.000 0.807 554 P CB 0.222 31.878 31.700 -0.073 0.000 1.002 555 L N -1.344 119.801 121.223 -0.131 0.000 2.319 555 L HA 0.561 4.903 4.340 0.003 0.000 0.267 555 L C -0.420 176.370 176.870 -0.134 0.000 1.011 555 L CA -1.117 53.652 54.840 -0.118 0.000 0.818 555 L CB 2.199 44.206 42.059 -0.086 0.000 1.316 555 L HN -0.198 nan 8.230 nan 0.000 0.432 556 C N 2.164 121.405 119.300 -0.098 0.000 2.383 556 C HA 0.790 5.252 4.460 0.003 0.000 0.330 556 C C 0.296 175.275 174.990 -0.019 0.000 1.168 556 C CA -0.602 58.375 59.018 -0.068 0.000 1.374 556 C CB 0.062 27.775 27.740 -0.044 0.000 2.014 556 C HN 0.850 nan 8.230 nan 0.000 0.439 557 A N 6.391 129.198 122.820 -0.021 0.000 2.362 557 A HA 0.705 5.027 4.320 0.003 0.000 0.276 557 A C -0.529 177.064 177.584 0.014 0.000 1.153 557 A CA -0.202 51.830 52.037 -0.008 0.000 0.813 557 A CB 0.293 19.290 19.000 -0.006 0.000 1.081 557 A HN 1.085 nan 8.150 nan 0.000 0.507 558 I N 1.755 122.337 120.570 0.019 0.000 2.686 558 I HA 0.699 4.871 4.170 0.003 0.000 0.295 558 I C 0.135 176.272 176.117 0.034 0.000 1.114 558 I CA -0.588 60.734 61.300 0.036 0.000 1.038 558 I CB 2.233 40.260 38.000 0.046 0.000 1.238 558 I HN 0.680 nan 8.210 nan 0.000 0.420 559 G N 7.422 116.251 108.800 0.048 0.000 2.470 559 G HA2 0.616 4.578 3.960 0.003 0.000 0.320 559 G HA3 0.616 4.578 3.960 0.003 0.000 0.320 559 G C -1.254 173.689 174.900 0.073 0.000 1.245 559 G CA -0.527 44.599 45.100 0.043 0.000 0.935 559 G HN 0.497 nan 8.290 nan 0.000 0.476 560 L N 1.129 122.397 121.223 0.076 0.000 2.344 560 L HA 0.399 4.741 4.340 0.003 0.000 0.272 560 L C 0.770 177.723 176.870 0.137 0.000 1.035 560 L CA -0.949 53.979 54.840 0.147 0.000 0.807 560 L CB 2.125 44.288 42.059 0.172 0.000 1.237 560 L HN 0.716 nan 8.230 nan 0.000 0.442 561 W N 0.814 122.127 121.300 0.021 0.000 2.408 561 W HA -0.117 4.545 4.660 0.003 0.000 0.311 561 W C 2.353 178.833 176.519 -0.066 0.000 1.190 561 W CA 1.295 58.638 57.345 -0.004 0.000 1.321 561 W CB 0.025 29.500 29.460 0.024 0.000 1.143 561 W HN 0.532 nan 8.180 nan 0.000 0.501 562 T N -0.263 114.365 114.554 0.124 0.000 2.781 562 T HA -0.150 4.202 4.350 0.003 0.000 0.252 562 T C 1.063 175.634 174.700 -0.215 0.000 1.039 562 T CA 1.549 63.577 62.100 -0.119 0.000 1.147 562 T CB -0.625 68.017 68.868 -0.376 0.000 0.865 562 T HN 0.146 nan 8.240 nan 0.000 0.423 563 D N 1.449 121.639 120.400 -0.351 0.000 2.319 563 D HA 0.040 4.682 4.640 0.003 0.000 0.230 563 D C 0.135 176.382 176.300 -0.088 0.000 1.094 563 D CA -0.179 53.710 54.000 -0.184 0.000 0.856 563 D CB -0.702 40.013 40.800 -0.142 0.000 0.915 563 D HN 0.230 nan 8.370 nan 0.000 0.517 564 I N 1.147 121.672 120.570 -0.075 0.000 6.373 564 I HA -0.279 3.893 4.170 0.003 0.000 0.126 564 I C 0.141 176.225 176.117 -0.055 0.000 1.554 564 I CA 0.439 61.703 61.300 -0.059 0.000 2.468 564 I CB -2.144 35.821 38.000 -0.058 0.000 2.951 564 I HN 0.291 nan 8.210 nan 0.000 0.282 565 S N 0.748 116.430 115.700 -0.030 0.000 2.648 565 S HA 0.967 5.439 4.470 0.003 0.000 0.305 565 S C -0.259 174.331 174.600 -0.017 0.000 1.094 565 S CA -0.264 57.921 58.200 -0.025 0.000 0.983 565 S CB 2.623 65.829 63.200 0.009 0.000 1.101 565 S HN 1.041 nan 8.310 nan 0.000 0.514 566 A N 1.981 124.776 122.820 -0.043 0.000 2.343 566 A HA 0.854 5.176 4.320 0.003 0.000 0.316 566 A C -0.265 177.281 177.584 -0.063 0.000 1.104 566 A CA -1.050 50.957 52.037 -0.051 0.000 0.768 566 A CB 0.992 19.941 19.000 -0.086 0.000 1.213 566 A HN 0.970 nan 8.150 nan 0.000 0.456 567 R N 2.465 122.946 120.500 -0.033 0.000 2.698 567 R HA 0.625 4.967 4.340 0.003 0.000 0.275 567 R C -1.543 174.747 176.300 -0.016 0.000 1.001 567 R CA -0.762 55.329 56.100 -0.015 0.000 0.896 567 R CB 0.973 31.288 30.300 0.025 0.000 1.218 567 R HN 0.416 nan 8.270 nan 0.000 0.462 568 I N 3.425 123.987 120.570 -0.013 0.000 2.385 568 I HA 0.427 4.599 4.170 0.003 0.000 0.294 568 I C 0.162 176.290 176.117 0.018 0.000 0.988 568 I CA -0.909 60.382 61.300 -0.014 0.000 1.265 568 I CB 0.979 38.961 38.000 -0.030 0.000 1.388 568 I HN 0.516 nan 8.210 nan 0.000 0.480 569 L N 4.451 125.685 121.223 0.018 0.000 2.401 569 L HA 0.441 4.783 4.340 0.003 0.000 0.266 569 L C -0.134 176.728 176.870 -0.013 0.000 0.991 569 L CA -1.198 53.668 54.840 0.042 0.000 0.818 569 L CB 2.139 44.279 42.059 0.135 0.000 1.321 569 L HN 0.385 nan 8.230 nan 0.000 0.413 570 K N 1.561 121.948 120.400 -0.022 0.000 2.368 570 K HA 0.202 4.524 4.320 0.003 0.000 0.282 570 K C 0.635 177.132 176.600 -0.171 0.000 1.035 570 K CA 0.173 56.415 56.287 -0.075 0.000 0.973 570 K CB 0.765 33.236 32.500 -0.049 0.000 0.957 570 K HN 0.564 nan 8.250 nan 0.000 0.474 571 L N 6.583 127.662 121.223 -0.239 0.000 1.955 571 L HA -0.129 4.213 4.340 0.003 0.000 0.213 571 L C -0.720 175.877 176.870 -0.455 0.000 1.072 571 L CA 1.409 55.979 54.840 -0.450 0.000 0.755 571 L CB -0.809 40.971 42.059 -0.464 0.000 0.888 571 L HN 0.743 nan 8.230 nan 0.000 0.432 572 P HA -0.209 nan 4.420 nan 0.000 0.214 572 P C 1.415 178.623 177.300 -0.154 0.000 1.169 572 P CA 2.483 65.561 63.100 -0.035 0.000 0.908 572 P CB -0.134 31.564 31.700 -0.003 0.000 0.791 573 S N -2.433 113.187 115.700 -0.134 0.000 2.575 573 S HA 0.093 4.565 4.470 0.003 0.000 0.215 573 S C 0.866 175.500 174.600 0.058 0.000 0.966 573 S CA -0.393 57.776 58.200 -0.052 0.000 0.911 573 S CB -1.273 61.923 63.200 -0.007 0.000 0.780 573 S HN 0.107 nan 8.310 nan 0.000 0.514 574 F N 0.865 120.803 119.950 -0.020 0.000 3.034 574 F HA -0.192 4.337 4.527 0.004 0.000 0.286 574 F C 0.497 176.277 175.800 -0.034 0.000 0.804 574 F CA 0.688 58.666 58.000 -0.036 0.000 1.161 574 F CB -1.764 37.213 39.000 -0.039 0.000 1.317 574 F HN 0.463 nan 8.300 nan 0.000 0.453 575 E N 1.921 122.183 120.200 0.104 0.000 2.360 575 E HA 0.180 4.532 4.350 0.003 0.000 0.269 575 E C 0.091 176.721 176.600 0.049 0.000 1.022 575 E CA -0.469 55.965 56.400 0.058 0.000 0.887 575 E CB 0.737 30.451 29.700 0.023 0.000 0.990 575 E HN 0.333 nan 8.360 nan 0.000 0.426 576 L N 6.430 127.676 121.223 0.038 0.000 2.410 576 L HA 0.017 4.359 4.340 0.003 0.000 0.273 576 L C 0.534 177.417 176.870 0.022 0.000 1.144 576 L CA 0.133 54.992 54.840 0.031 0.000 0.863 576 L CB 0.418 42.488 42.059 0.018 0.000 1.140 576 L HN 0.833 nan 8.230 nan 0.000 0.463 577 L N 4.622 125.866 121.223 0.034 0.000 2.642 577 L HA 0.265 4.607 4.340 0.003 0.000 0.233 577 L C 0.004 176.925 176.870 0.085 0.000 1.077 577 L CA -0.092 54.772 54.840 0.040 0.000 0.879 577 L CB 0.165 42.245 42.059 0.036 0.000 1.151 577 L HN 0.606 nan 8.230 nan 0.000 0.495 578 H N 0.887 119.934 119.070 -0.039 0.000 3.153 578 H HA 0.228 4.786 4.556 0.004 0.000 0.323 578 H C -1.716 173.571 175.328 -0.069 0.000 1.096 578 H CA -0.571 55.443 56.048 -0.057 0.000 1.385 578 H CB 2.046 31.759 29.762 -0.081 0.000 2.027 578 H HN -0.214 nan 8.280 nan 0.000 0.499 579 K N 4.020 124.502 120.400 0.137 0.000 2.575 579 K HA 0.165 4.487 4.320 0.003 0.000 0.236 579 K C -1.039 175.633 176.600 0.120 0.000 0.976 579 K CA -0.545 55.803 56.287 0.101 0.000 0.985 579 K CB 0.985 33.497 32.500 0.020 0.000 1.198 579 K HN 0.603 nan 8.250 nan 0.000 0.464 580 E N 4.345 124.606 120.200 0.103 0.000 2.044 580 E HA 0.116 4.468 4.350 0.003 0.000 0.282 580 E C -0.719 175.867 176.600 -0.024 0.000 1.031 580 E CA -0.369 56.049 56.400 0.030 0.000 0.824 580 E CB 0.500 30.074 29.700 -0.209 0.000 1.076 580 E HN 0.462 nan 8.360 nan 0.000 0.395 581 M N 6.183 125.779 119.600 -0.007 0.000 2.220 581 M HA 0.218 4.700 4.480 0.003 0.000 0.343 581 M C -1.276 174.975 176.300 -0.082 0.000 1.470 581 M CA -0.318 54.961 55.300 -0.036 0.000 1.161 581 M CB -0.070 32.520 32.600 -0.017 0.000 1.737 581 M HN 0.536 nan 8.290 nan 0.000 0.464 582 L N 3.440 124.568 121.223 -0.158 0.000 2.422 582 L HA 1.012 5.354 4.340 0.003 0.000 0.263 582 L C 1.009 177.754 176.870 -0.210 0.000 1.110 582 L CA -0.292 54.352 54.840 -0.326 0.000 1.065 582 L CB -1.020 40.594 42.059 -0.740 0.000 1.701 582 L HN 0.683 nan 8.230 nan 0.000 0.548 583 G N -0.731 107.940 108.800 -0.214 0.000 2.607 583 G HA2 0.074 4.036 3.960 0.003 0.000 0.664 583 G HA3 0.074 4.036 3.960 0.003 0.000 0.664 583 G C 0.658 175.565 174.900 0.012 0.000 1.264 583 G CA 1.810 46.937 45.100 0.045 0.000 0.906 583 G HN 1.764 nan 8.290 nan 0.000 0.599 584 G N -2.678 106.129 108.800 0.013 0.000 4.212 584 G HA2 0.228 4.190 3.960 0.003 0.000 0.199 584 G HA3 0.228 4.190 3.960 0.003 0.000 0.199 584 G C 1.130 176.026 174.900 -0.007 0.000 0.986 584 G CA 1.282 46.382 45.100 -0.001 0.000 0.985 584 G HN 0.800 nan 8.290 nan 0.000 0.378 585 E N -0.100 120.099 120.200 -0.002 0.000 2.110 585 E HA 0.266 4.618 4.350 0.003 0.000 0.193 585 E C 0.806 177.389 176.600 -0.029 0.000 0.950 585 E CA 0.170 56.565 56.400 -0.009 0.000 0.840 585 E CB 0.122 29.820 29.700 -0.002 0.000 0.809 585 E HN 0.230 nan 8.360 nan 0.000 0.465 586 I N 3.296 123.845 120.570 -0.035 0.000 2.472 586 I HA 0.135 4.307 4.170 0.003 0.000 0.290 586 I C 0.744 176.796 176.117 -0.108 0.000 1.016 586 I CA -1.068 60.187 61.300 -0.074 0.000 1.348 586 I CB 0.553 38.521 38.000 -0.053 0.000 1.417 586 I HN 0.189 nan 8.210 nan 0.000 0.521 587 I N 4.685 125.126 120.570 -0.215 0.000 2.764 587 I HA 0.493 4.665 4.170 0.003 0.000 0.294 587 I C -2.610 173.391 176.117 -0.193 0.000 1.045 587 I CA -2.557 58.579 61.300 -0.273 0.000 1.340 587 I CB -0.194 37.438 38.000 -0.612 0.000 1.436 587 I HN 0.218 nan 8.210 nan 0.000 0.567 588 P HA 0.276 nan 4.420 nan 0.000 0.271 588 P C 0.149 177.398 177.300 -0.086 0.000 1.216 588 P CA -0.208 62.859 63.100 -0.055 0.000 0.776 588 P CB 0.725 32.415 31.700 -0.017 0.000 0.881 589 R N 0.738 121.217 120.500 -0.036 0.000 2.121 589 R HA 0.233 4.575 4.340 0.003 0.000 0.206 589 R C 0.620 176.924 176.300 0.007 0.000 1.094 589 R CA 0.847 56.926 56.100 -0.035 0.000 1.055 589 R CB -0.005 30.277 30.300 -0.029 0.000 0.964 589 R HN 0.479 nan 8.270 nan 0.000 0.473 590 S N -0.396 115.325 115.700 0.035 0.000 2.569 590 S HA 0.688 5.160 4.470 0.003 0.000 0.280 590 S C -1.271 173.377 174.600 0.080 0.000 1.111 590 S CA -0.634 57.601 58.200 0.060 0.000 0.887 590 S CB 1.303 64.542 63.200 0.065 0.000 1.095 590 S HN 0.151 nan 8.310 nan 0.000 0.476 591 I N 3.396 124.016 120.570 0.083 0.000 2.680 591 I HA 0.665 4.837 4.170 0.003 0.000 0.291 591 I C -2.154 174.013 176.117 0.083 0.000 1.244 591 I CA -0.794 60.561 61.300 0.091 0.000 1.042 591 I CB 1.731 39.773 38.000 0.071 0.000 1.277 591 I HN 0.722 nan 8.210 nan 0.000 0.423 592 L N 7.514 128.794 121.223 0.094 0.000 2.466 592 L HA 0.654 4.996 4.340 0.003 0.000 0.258 592 L C -1.862 175.049 176.870 0.068 0.000 0.973 592 L CA -0.327 54.557 54.840 0.073 0.000 0.826 592 L CB 2.307 44.415 42.059 0.081 0.000 1.372 592 L HN 0.589 nan 8.230 nan 0.000 0.409 593 M N 3.390 123.009 119.600 0.031 0.000 2.364 593 M HA 0.679 5.161 4.480 0.003 0.000 0.334 593 M C -0.644 175.643 176.300 -0.022 0.000 1.107 593 M CA -0.311 55.001 55.300 0.020 0.000 0.988 593 M CB 1.985 34.578 32.600 -0.012 0.000 1.673 593 M HN 0.774 nan 8.290 nan 0.000 0.441 594 T N 0.470 115.005 114.554 -0.032 0.000 2.718 594 T HA 0.459 4.811 4.350 0.003 0.000 0.306 594 T C -1.297 173.332 174.700 -0.118 0.000 1.485 594 T CA -0.546 61.462 62.100 -0.154 0.000 0.997 594 T CB 2.282 70.954 68.868 -0.327 0.000 1.504 594 T HN 0.604 nan 8.240 nan 0.000 0.497 595 T N 1.412 115.843 114.554 -0.206 0.000 2.824 595 T HA 0.568 4.920 4.350 0.003 0.000 0.282 595 T C -0.005 174.593 174.700 -0.170 0.000 0.993 595 T CA -0.428 61.672 62.100 -0.000 0.000 0.967 595 T CB 1.139 70.104 68.868 0.162 0.000 0.960 595 T HN 0.466 nan 8.240 nan 0.000 0.441 596 F N 0.541 120.628 119.950 0.229 0.000 2.399 596 F HA 0.256 4.782 4.527 -0.002 0.000 0.282 596 F C 2.193 178.021 175.800 0.046 0.000 1.027 596 F CA 0.157 58.212 58.000 0.091 0.000 1.333 596 F CB 0.766 39.773 39.000 0.013 0.000 1.132 596 F HN 0.513 nan 8.300 nan 0.000 0.590 597 E N -0.932 119.425 120.200 0.262 0.000 2.592 597 E HA 0.025 4.377 4.350 0.003 0.000 0.184 597 E C 1.455 178.111 176.600 0.093 0.000 1.056 597 E CA 1.004 57.468 56.400 0.107 0.000 1.151 597 E CB 0.169 29.847 29.700 -0.037 0.000 1.435 597 E HN 0.188 nan 8.360 nan 0.000 0.496 598 S N -0.232 115.531 115.700 0.106 0.000 2.628 598 S HA 0.204 4.676 4.470 0.003 0.000 0.246 598 S C 0.571 175.107 174.600 -0.106 0.000 1.062 598 S CA -0.533 57.691 58.200 0.039 0.000 1.028 598 S CB 0.579 63.825 63.200 0.076 0.000 0.985 598 S HN 0.009 nan 8.310 nan 0.000 0.551 599 S N 2.598 118.272 115.700 -0.042 0.000 2.617 599 S HA 0.578 5.050 4.470 0.003 0.000 0.283 599 S C -0.852 173.602 174.600 -0.245 0.000 1.189 599 S CA -0.683 57.355 58.200 -0.269 0.000 1.036 599 S CB 0.387 63.465 63.200 -0.204 0.000 1.014 599 S HN 0.450 nan 8.310 nan 0.000 0.522 600 H N 0.664 119.661 119.070 -0.123 0.000 2.479 600 H HA 0.577 5.133 4.556 0.000 0.000 0.335 600 H C -1.044 174.200 175.328 -0.141 0.000 1.142 600 H CA -0.254 55.769 56.048 -0.042 0.000 1.234 600 H CB 0.593 30.334 29.762 -0.034 0.000 1.503 600 H HN 0.600 nan 8.280 nan 0.000 0.510 601 Y N 0.083 120.488 120.300 0.175 0.000 2.669 601 Y HA 0.344 4.894 4.550 -0.001 0.000 0.335 601 Y C -0.425 175.571 175.900 0.159 0.000 1.116 601 Y CA -1.077 57.145 58.100 0.204 0.000 1.081 601 Y CB 1.930 40.557 38.460 0.277 0.000 1.297 601 Y HN 0.343 nan 8.280 nan 0.000 0.484 602 L N 3.355 124.836 121.223 0.430 0.000 2.381 602 L HA 0.609 4.951 4.340 0.003 0.000 0.274 602 L C -1.896 175.221 176.870 0.410 0.000 0.988 602 L CA -0.578 54.440 54.840 0.296 0.000 0.824 602 L CB 1.295 43.449 42.059 0.158 0.000 1.263 602 L HN 0.624 nan 8.230 nan 0.000 0.410 603 L N 4.961 126.366 121.223 0.303 0.000 2.329 603 L HA 0.560 4.902 4.340 0.003 0.000 0.279 603 L C -0.685 176.351 176.870 0.277 0.000 1.014 603 L CA -0.563 54.470 54.840 0.322 0.000 0.814 603 L CB 2.121 44.319 42.059 0.231 0.000 1.257 603 L HN 0.648 nan 8.230 nan 0.000 0.424 604 C N 3.129 122.628 119.300 0.333 0.000 2.446 604 C HA 0.827 5.289 4.460 0.003 0.000 0.329 604 C C -0.061 175.094 174.990 0.275 0.000 1.166 604 C CA -0.325 58.857 59.018 0.274 0.000 1.341 604 C CB 0.780 28.694 27.740 0.290 0.000 1.970 604 C HN 0.908 nan 8.230 nan 0.000 0.452 605 A N 6.661 129.588 122.820 0.179 0.000 2.303 605 A HA 0.784 5.106 4.320 0.003 0.000 0.320 605 A C -0.663 176.981 177.584 0.100 0.000 1.192 605 A CA -0.423 51.695 52.037 0.135 0.000 0.821 605 A CB 0.605 19.656 19.000 0.085 0.000 1.188 605 A HN 0.927 nan 8.150 nan 0.000 0.492 606 L N 1.619 122.904 121.223 0.104 0.000 2.469 606 L HA 0.445 4.787 4.340 0.003 0.000 0.253 606 L C 1.737 178.609 176.870 0.002 0.000 1.143 606 L CA -0.257 54.618 54.840 0.058 0.000 0.804 606 L CB 0.843 42.964 42.059 0.102 0.000 1.214 606 L HN 0.844 nan 8.230 nan 0.000 0.476 607 G N -1.287 107.494 108.800 -0.031 0.000 2.956 607 G HA2 -0.103 3.859 3.960 0.003 0.000 0.207 607 G HA3 -0.103 3.859 3.960 0.003 0.000 0.207 607 G C 0.589 175.469 174.900 -0.034 0.000 1.162 607 G CA 0.016 45.089 45.100 -0.046 0.000 0.796 607 G HN 0.617 nan 8.290 nan 0.000 0.527 608 D N -0.096 120.291 120.400 -0.021 0.000 2.333 608 D HA 0.182 4.824 4.640 0.003 0.000 0.208 608 D C 2.051 178.328 176.300 -0.037 0.000 0.984 608 D CA 0.994 54.980 54.000 -0.024 0.000 0.873 608 D CB 0.138 40.930 40.800 -0.013 0.000 0.935 608 D HN 0.298 nan 8.370 nan 0.000 0.521 609 G N -0.205 108.572 108.800 -0.037 0.000 2.141 609 G HA2 -0.163 3.799 3.960 0.003 0.000 0.242 609 G HA3 -0.163 3.799 3.960 0.003 0.000 0.242 609 G C 0.411 175.269 174.900 -0.070 0.000 0.982 609 G CA 0.177 45.247 45.100 -0.049 0.000 0.662 609 G HN 0.577 nan 8.290 nan 0.000 0.527 610 A N -0.176 122.602 122.820 -0.069 0.000 2.309 610 A HA 0.834 5.156 4.320 0.003 0.000 0.298 610 A C -0.100 177.409 177.584 -0.125 0.000 1.165 610 A CA -0.120 51.834 52.037 -0.138 0.000 0.821 610 A CB 1.204 20.127 19.000 -0.129 0.000 1.102 610 A HN 1.412 nan 8.150 nan 0.000 0.500 611 L N 2.430 123.517 121.223 -0.227 0.000 2.381 611 L HA 0.731 5.073 4.340 0.003 0.000 0.274 611 L C -1.738 175.017 176.870 -0.192 0.000 0.988 611 L CA -0.576 54.214 54.840 -0.083 0.000 0.824 611 L CB 1.170 43.253 42.059 0.041 0.000 1.263 611 L HN 0.667 nan 8.230 nan 0.000 0.410 612 F N 4.607 124.629 119.950 0.119 0.000 2.421 612 F HA 0.500 5.028 4.527 0.003 0.000 0.337 612 F C -0.507 175.399 175.800 0.177 0.000 1.105 612 F CA -0.345 57.677 58.000 0.037 0.000 1.049 612 F CB 1.419 40.455 39.000 0.060 0.000 1.139 612 F HN 0.377 nan 8.300 nan 0.000 0.479 613 Y N 1.301 121.595 120.300 -0.010 0.000 2.386 613 Y HA 0.778 5.331 4.550 0.005 0.000 0.334 613 Y C -2.039 173.855 175.900 -0.011 0.000 1.002 613 Y CA -1.967 56.210 58.100 0.129 0.000 1.068 613 Y CB 0.765 39.333 38.460 0.180 0.000 1.203 613 Y HN 0.353 nan 8.280 nan 0.000 0.443 614 F N 1.588 121.757 119.950 0.366 0.000 2.579 614 F HA 0.818 5.347 4.527 0.002 0.000 0.324 614 F C 0.768 176.739 175.800 0.285 0.000 1.058 614 F CA -1.634 56.505 58.000 0.233 0.000 0.944 614 F CB 1.778 40.830 39.000 0.086 0.000 1.245 614 F HN 0.843 nan 8.300 nan 0.000 0.477 615 G N 1.110 110.109 108.800 0.332 0.000 2.403 615 G HA2 0.469 4.431 3.960 0.003 0.000 0.259 615 G HA3 0.469 4.431 3.960 0.003 0.000 0.259 615 G C -1.574 173.373 174.900 0.077 0.000 1.244 615 G CA -0.250 44.883 45.100 0.056 0.000 0.849 615 G HN 0.571 nan 8.290 nan 0.000 0.532 616 L N 2.081 123.321 121.223 0.028 0.000 2.346 616 L HA 0.532 4.874 4.340 0.003 0.000 0.276 616 L C -0.552 176.352 176.870 0.056 0.000 1.006 616 L CA -1.079 53.788 54.840 0.046 0.000 0.817 616 L CB 1.959 44.062 42.059 0.075 0.000 1.272 616 L HN 0.433 nan 8.230 nan 0.000 0.421 617 N N 4.985 123.707 118.700 0.036 0.000 2.485 617 N HA 0.214 4.956 4.740 0.003 0.000 0.243 617 N C 0.798 176.327 175.510 0.031 0.000 0.987 617 N CA -0.361 52.721 53.050 0.052 0.000 0.940 617 N CB 0.893 39.401 38.487 0.035 0.000 1.122 617 N HN 0.824 nan 8.380 nan 0.000 0.509 618 I N -0.050 120.541 120.570 0.036 0.000 3.550 618 I HA 0.071 4.243 4.170 0.003 0.000 0.295 618 I C 0.696 176.794 176.117 -0.031 0.000 1.291 618 I CA 0.547 61.821 61.300 -0.044 0.000 1.298 618 I CB 0.162 38.062 38.000 -0.166 0.000 1.026 618 I HN 0.354 nan 8.210 nan 0.000 0.491 619 E N 1.574 121.773 120.200 -0.001 0.000 2.134 619 E HA -0.056 4.296 4.350 0.003 0.000 0.194 619 E C 2.185 178.784 176.600 -0.002 0.000 0.937 619 E CA 1.294 57.693 56.400 -0.002 0.000 0.874 619 E CB 0.066 29.772 29.700 0.010 0.000 0.853 619 E HN 0.611 nan 8.360 nan 0.000 0.471 620 T N -2.201 112.359 114.554 0.009 0.000 2.894 620 T HA 0.136 4.488 4.350 0.003 0.000 0.258 620 T C 1.624 176.335 174.700 0.017 0.000 1.043 620 T CA 0.715 62.824 62.100 0.015 0.000 1.141 620 T CB 0.081 68.965 68.868 0.025 0.000 0.873 620 T HN 0.339 nan 8.240 nan 0.000 0.449 621 G N 1.926 110.735 108.800 0.014 0.000 2.140 621 G HA2 -0.145 3.817 3.960 0.003 0.000 0.211 621 G HA3 -0.145 3.817 3.960 0.003 0.000 0.211 621 G C -0.132 174.783 174.900 0.025 0.000 1.013 621 G CA 0.025 45.127 45.100 0.004 0.000 0.705 621 G HN 1.071 nan 8.290 nan 0.000 0.508 622 L N -1.349 119.908 121.223 0.056 0.000 2.325 622 L HA 0.905 5.247 4.340 0.003 0.000 0.279 622 L C 0.353 177.193 176.870 -0.050 0.000 1.054 622 L CA -1.364 53.570 54.840 0.157 0.000 0.804 622 L CB 1.101 43.292 42.059 0.220 0.000 1.200 622 L HN -0.013 nan 8.230 nan 0.000 0.436 623 L N 3.409 124.393 121.223 -0.398 0.000 2.292 623 L HA 0.535 4.877 4.340 0.003 0.000 0.284 623 L C 0.016 176.908 176.870 0.037 0.000 1.065 623 L CA -0.182 54.467 54.840 -0.318 0.000 0.806 623 L CB 1.510 43.051 42.059 -0.863 0.000 1.175 623 L HN 0.839 nan 8.230 nan 0.000 0.431 624 S N 0.377 116.177 115.700 0.167 0.000 2.677 624 S HA 0.332 4.804 4.470 0.003 0.000 0.304 624 S C -0.660 174.061 174.600 0.201 0.000 1.108 624 S CA -0.820 57.490 58.200 0.183 0.000 0.944 624 S CB 1.695 64.958 63.200 0.104 0.000 1.127 624 S HN 0.719 nan 8.310 nan 0.000 0.511 625 D N 1.239 121.712 120.400 0.121 0.000 2.740 625 D HA -0.168 4.474 4.640 0.003 0.000 0.231 625 D C 0.082 176.349 176.300 -0.056 0.000 1.194 625 D CA 0.644 54.672 54.000 0.047 0.000 0.673 625 D CB -0.608 40.225 40.800 0.055 0.000 0.995 625 D HN 0.523 nan 8.370 nan 0.000 0.411 626 R N 1.203 121.660 120.500 -0.072 0.000 2.473 626 R HA 0.057 4.399 4.340 0.003 0.000 0.315 626 R C 0.031 176.069 176.300 -0.436 0.000 0.972 626 R CA 0.529 56.378 56.100 -0.419 0.000 1.047 626 R CB 0.510 30.714 30.300 -0.160 0.000 0.932 626 R HN 0.089 nan 8.270 nan 0.000 0.411 627 K N 3.562 123.541 120.400 -0.702 0.000 2.350 627 K HA 0.404 4.726 4.320 0.003 0.000 0.241 627 K C -1.095 175.110 176.600 -0.659 0.000 0.994 627 K CA -1.035 54.824 56.287 -0.714 0.000 0.839 627 K CB 2.171 34.004 32.500 -1.112 0.000 1.244 627 K HN 0.424 nan 8.250 nan 0.000 0.443 628 K N 1.297 121.401 120.400 -0.494 0.000 2.525 628 K HA 0.420 4.742 4.320 0.003 0.000 0.254 628 K C -1.388 174.982 176.600 -0.383 0.000 0.934 628 K CA -0.685 55.294 56.287 -0.514 0.000 0.802 628 K CB 1.791 33.924 32.500 -0.613 0.000 1.295 628 K HN 0.480 nan 8.250 nan 0.000 0.433 629 V N -0.891 118.796 119.914 -0.379 0.000 3.102 629 V HA 0.665 4.787 4.120 0.003 0.000 0.312 629 V C -0.773 175.115 176.094 -0.343 0.000 1.135 629 V CA -0.721 61.344 62.300 -0.392 0.000 1.022 629 V CB 1.858 33.288 31.823 -0.656 0.000 1.056 629 V HN 0.717 nan 8.190 nan 0.000 0.436 630 T N 2.883 117.265 114.554 -0.288 0.000 2.772 630 T HA 0.553 4.905 4.350 0.003 0.000 0.288 630 T C 0.544 175.135 174.700 -0.182 0.000 0.994 630 T CA -0.252 61.723 62.100 -0.209 0.000 0.951 630 T CB 1.062 69.832 68.868 -0.163 0.000 0.933 630 T HN 0.641 nan 8.240 nan 0.000 0.447 631 L N 2.618 123.759 121.223 -0.137 0.000 2.628 631 L HA 0.415 4.757 4.340 0.003 0.000 0.229 631 L C 1.386 178.211 176.870 -0.075 0.000 1.137 631 L CA -0.092 54.691 54.840 -0.095 0.000 0.909 631 L CB -0.260 41.769 42.059 -0.050 0.000 1.137 631 L HN 0.936 nan 8.230 nan 0.000 0.470 632 G N 0.016 108.770 108.800 -0.078 0.000 2.384 632 G HA2 -0.069 3.893 3.960 0.003 0.000 0.150 632 G HA3 -0.069 3.893 3.960 0.003 0.000 0.150 632 G C 0.233 175.100 174.900 -0.055 0.000 1.269 632 G CA 0.341 45.405 45.100 -0.061 0.000 1.094 632 G HN -0.016 nan 8.290 nan 0.000 0.467 633 T N -2.710 111.817 114.554 -0.045 0.000 3.051 633 T HA 0.327 4.679 4.350 0.003 0.000 0.254 633 T C 0.454 175.132 174.700 -0.036 0.000 0.916 633 T CA 0.527 62.603 62.100 -0.039 0.000 0.894 633 T CB 0.550 69.398 68.868 -0.032 0.000 1.251 633 T HN 0.512 nan 8.240 nan 0.000 0.517 634 Q N 2.615 122.392 119.800 -0.038 0.000 2.256 634 Q HA 0.476 4.818 4.340 0.003 0.000 0.232 634 Q C -2.540 173.433 176.000 -0.045 0.000 0.965 634 Q CA -2.688 53.091 55.803 -0.040 0.000 0.908 634 Q CB 0.253 28.965 28.738 -0.043 0.000 1.209 634 Q HN 0.256 nan 8.270 nan 0.000 0.489 635 P HA 0.002 nan 4.420 nan 0.000 0.269 635 P C -0.680 176.588 177.300 -0.054 0.000 1.217 635 P CA 0.131 63.202 63.100 -0.048 0.000 0.783 635 P CB 0.462 32.131 31.700 -0.051 0.000 0.898 636 T N 0.968 115.500 114.554 -0.038 0.000 2.824 636 T HA 0.371 4.723 4.350 0.003 0.000 0.282 636 T C -0.237 174.452 174.700 -0.019 0.000 0.993 636 T CA -0.481 61.599 62.100 -0.033 0.000 0.967 636 T CB 1.104 69.966 68.868 -0.011 0.000 0.960 636 T HN 0.085 nan 8.240 nan 0.000 0.441 637 V N 4.615 124.508 119.914 -0.034 0.000 2.435 637 V HA 0.473 4.595 4.120 0.003 0.000 0.290 637 V C -0.221 175.909 176.094 0.059 0.000 1.030 637 V CA -0.829 61.471 62.300 -0.001 0.000 0.881 637 V CB 1.316 33.099 31.823 -0.066 0.000 0.983 637 V HN 0.715 nan 8.190 nan 0.000 0.445 638 L N 5.202 126.479 121.223 0.091 0.000 2.309 638 L HA 0.776 5.118 4.340 0.003 0.000 0.282 638 L C -0.109 176.852 176.870 0.152 0.000 1.036 638 L CA -0.432 54.483 54.840 0.125 0.000 0.806 638 L CB 1.602 43.730 42.059 0.116 0.000 1.220 638 L HN 0.595 nan 8.230 nan 0.000 0.429 639 R N 0.757 121.378 120.500 0.202 0.000 2.668 639 R HA 0.510 4.852 4.340 0.003 0.000 0.272 639 R C -0.932 175.532 176.300 0.275 0.000 1.019 639 R CA -0.400 55.828 56.100 0.214 0.000 0.894 639 R CB 2.157 32.573 30.300 0.193 0.000 1.228 639 R HN 0.593 nan 8.270 nan 0.000 0.460 640 T N 2.640 117.334 114.554 0.234 0.000 2.943 640 T HA 0.801 5.153 4.350 0.003 0.000 0.284 640 T C -1.136 173.764 174.700 0.333 0.000 1.015 640 T CA -0.343 61.888 62.100 0.218 0.000 1.042 640 T CB 0.444 69.371 68.868 0.098 0.000 1.055 640 T HN 0.438 nan 8.240 nan 0.000 0.500 641 F N 0.398 120.411 119.950 0.106 0.000 2.741 641 F HA 0.682 5.214 4.527 0.007 0.000 0.311 641 F C -1.602 174.248 175.800 0.084 0.000 1.149 641 F CA -1.328 56.727 58.000 0.093 0.000 0.930 641 F CB 1.284 40.334 39.000 0.082 0.000 1.312 641 F HN 0.486 nan 8.300 nan 0.000 0.450 642 R N 1.970 122.580 120.500 0.184 0.000 2.409 642 R HA 0.421 4.763 4.340 0.003 0.000 0.313 642 R C 0.311 176.713 176.300 0.170 0.000 0.953 642 R CA -0.161 55.953 56.100 0.022 0.000 0.849 642 R CB 2.028 32.354 30.300 0.043 0.000 1.171 642 R HN 1.020 nan 8.270 nan 0.000 0.458 643 S N 3.026 118.777 115.700 0.084 0.000 2.436 643 S HA -0.109 4.363 4.470 0.003 0.000 0.208 643 S C 1.321 175.982 174.600 0.103 0.000 1.063 643 S CA 0.778 59.094 58.200 0.194 0.000 1.120 643 S CB -0.153 63.113 63.200 0.110 0.000 1.053 643 S HN 0.337 nan 8.310 nan 0.000 0.407 644 L N 0.307 121.553 121.223 0.038 0.000 2.814 644 L HA 0.382 4.724 4.340 0.003 0.000 0.182 644 L C 2.904 179.783 176.870 0.015 0.000 1.386 644 L CA 1.247 56.104 54.840 0.028 0.000 1.190 644 L CB -1.188 40.878 42.059 0.012 0.000 1.399 644 L HN 0.501 nan 8.230 nan 0.000 0.685 645 S N -1.080 114.619 115.700 -0.003 0.000 2.311 645 S HA -0.052 4.420 4.470 0.003 0.000 0.209 645 S C 1.319 175.913 174.600 -0.011 0.000 1.029 645 S CA 0.961 59.158 58.200 -0.004 0.000 0.968 645 S CB -0.585 62.610 63.200 -0.008 0.000 0.946 645 S HN 0.629 nan 8.310 nan 0.000 0.450 646 T N 0.112 114.650 114.554 -0.026 0.000 2.625 646 T HA 0.289 4.641 4.350 0.003 0.000 0.357 646 T C 0.273 174.939 174.700 -0.056 0.000 1.053 646 T CA 0.397 62.480 62.100 -0.028 0.000 1.037 646 T CB 0.125 68.976 68.868 -0.028 0.000 1.123 646 T HN 0.468 nan 8.240 nan 0.000 0.520 647 T N 0.404 114.922 114.554 -0.059 0.000 2.916 647 T HA 0.601 4.953 4.350 0.003 0.000 0.298 647 T C -1.295 173.334 174.700 -0.117 0.000 1.031 647 T CA -0.927 61.097 62.100 -0.126 0.000 0.993 647 T CB 0.820 69.640 68.868 -0.080 0.000 1.045 647 T HN 0.888 nan 8.240 nan 0.000 0.454 648 N N 1.433 119.914 118.700 -0.365 0.000 2.701 648 N HA 0.752 5.494 4.740 0.003 0.000 0.290 648 N C -1.507 173.895 175.510 -0.180 0.000 1.338 648 N CA -0.861 52.073 53.050 -0.193 0.000 0.799 648 N CB 1.576 39.818 38.487 -0.409 0.000 1.491 648 N HN 0.408 nan 8.380 nan 0.000 0.540 649 V N 0.805 120.773 119.914 0.089 0.000 2.495 649 V HA 0.412 4.534 4.120 0.003 0.000 0.298 649 V C -1.278 175.004 176.094 0.314 0.000 1.031 649 V CA -0.658 61.761 62.300 0.199 0.000 0.871 649 V CB 1.047 32.992 31.823 0.203 0.000 0.988 649 V HN 0.572 nan 8.190 nan 0.000 0.432 650 F N 4.077 124.233 119.950 0.342 0.000 2.405 650 F HA 0.695 5.222 4.527 0.001 0.000 0.355 650 F C 0.498 176.374 175.800 0.128 0.000 1.121 650 F CA -0.481 57.688 58.000 0.282 0.000 1.112 650 F CB 1.087 40.214 39.000 0.210 0.000 1.126 650 F HN 0.535 nan 8.300 nan 0.000 0.481 651 A N 6.188 128.916 122.820 -0.153 0.000 2.444 651 A HA 0.437 4.759 4.320 0.003 0.000 0.332 651 A C -0.587 176.950 177.584 -0.078 0.000 1.430 651 A CA -0.504 51.501 52.037 -0.054 0.000 0.975 651 A CB -0.662 18.299 19.000 -0.064 0.000 1.147 651 A HN 0.827 nan 8.150 nan 0.000 0.524 652 C N 3.005 122.353 119.300 0.079 0.000 2.629 652 C HA 0.630 5.092 4.460 0.003 0.000 0.410 652 C C 1.170 176.133 174.990 -0.045 0.000 1.339 652 C CA 0.645 59.697 59.018 0.058 0.000 1.810 652 C CB -1.515 26.230 27.740 0.009 0.000 2.549 652 C HN 1.128 nan 8.230 nan 0.000 0.589 653 S N 1.556 117.227 115.700 -0.049 0.000 2.627 653 S HA 0.191 4.663 4.470 0.003 0.000 0.270 653 S C 0.236 174.806 174.600 -0.050 0.000 1.147 653 S CA -0.049 58.113 58.200 -0.064 0.000 0.944 653 S CB 0.345 63.510 63.200 -0.060 0.000 1.201 653 S HN 0.651 nan 8.310 nan 0.000 0.479 654 D N 0.314 120.686 120.400 -0.047 0.000 2.264 654 D HA -0.057 4.585 4.640 0.003 0.000 0.208 654 D C 0.168 176.446 176.300 -0.036 0.000 0.966 654 D CA 0.608 54.587 54.000 -0.036 0.000 0.864 654 D CB -0.199 40.582 40.800 -0.032 0.000 0.933 654 D HN 0.321 nan 8.370 nan 0.000 0.499 655 R N 1.150 121.622 120.500 -0.046 0.000 2.494 655 R HA 0.340 4.682 4.340 0.003 0.000 0.284 655 R C -2.720 173.534 176.300 -0.076 0.000 1.525 655 R CA -1.976 54.093 56.100 -0.052 0.000 1.460 655 R CB 0.928 31.197 30.300 -0.051 0.000 1.134 655 R HN 0.080 nan 8.270 nan 0.000 0.592 656 P HA 0.043 nan 4.420 nan 0.000 0.263 656 P C -0.561 176.589 177.300 -0.251 0.000 1.195 656 P CA 0.674 63.671 63.100 -0.173 0.000 0.762 656 P CB 0.697 32.339 31.700 -0.097 0.000 0.799 657 T N 2.166 116.504 114.554 -0.360 0.000 2.912 657 T HA 0.360 4.712 4.350 0.003 0.000 0.299 657 T C -0.578 173.897 174.700 -0.375 0.000 1.052 657 T CA -0.523 61.410 62.100 -0.277 0.000 0.996 657 T CB 1.301 70.109 68.868 -0.100 0.000 1.070 657 T HN -0.074 nan 8.240 nan 0.000 0.465 658 V N 3.808 123.589 119.914 -0.221 0.000 2.370 658 V HA 0.480 4.602 4.120 0.003 0.000 0.279 658 V C -0.244 175.796 176.094 -0.091 0.000 1.029 658 V CA -0.639 61.619 62.300 -0.069 0.000 0.870 658 V CB 0.931 32.835 31.823 0.135 0.000 0.984 658 V HN 0.727 nan 8.190 nan 0.000 0.451 659 I N 7.180 127.653 120.570 -0.162 0.000 2.377 659 I HA 0.609 4.781 4.170 0.003 0.000 0.293 659 I C -0.379 175.466 176.117 -0.453 0.000 0.987 659 I CA -0.403 60.584 61.300 -0.522 0.000 1.185 659 I CB 1.141 38.795 38.000 -0.577 0.000 1.341 659 I HN 0.786 nan 8.210 nan 0.000 0.455 660 Y N 3.008 122.773 120.300 -0.891 0.000 2.905 660 Y HA 0.667 5.219 4.550 0.004 0.000 0.322 660 Y C -1.059 174.253 175.900 -0.980 0.000 1.455 660 Y CA -1.214 56.321 58.100 -0.941 0.000 1.083 660 Y CB 1.228 39.443 38.460 -0.409 0.000 1.473 660 Y HN 0.341 nan 8.280 nan 0.000 0.449 661 S N 0.089 115.530 115.700 -0.432 0.000 2.500 661 S HA 0.557 5.029 4.470 0.003 0.000 0.301 661 S C -0.131 174.419 174.600 -0.083 0.000 1.092 661 S CA 0.129 58.114 58.200 -0.357 0.000 1.030 661 S CB 1.738 64.815 63.200 -0.205 0.000 1.031 661 S HN 0.931 nan 8.310 nan 0.000 0.483 662 S N 3.721 119.340 115.700 -0.136 0.000 2.612 662 S HA 0.310 4.782 4.470 0.003 0.000 0.193 662 S C 0.377 174.935 174.600 -0.070 0.000 0.898 662 S CA 0.213 58.390 58.200 -0.038 0.000 0.872 662 S CB -0.370 62.808 63.200 -0.037 0.000 0.843 662 S HN 0.779 nan 8.310 nan 0.000 0.611 663 N N 0.520 119.189 118.700 -0.052 0.000 2.660 663 N HA 0.410 5.152 4.740 0.003 0.000 0.316 663 N C -1.037 174.491 175.510 0.031 0.000 1.774 663 N CA -0.156 52.870 53.050 -0.041 0.000 0.946 663 N CB 0.407 38.935 38.487 0.068 0.000 1.322 663 N HN 0.426 nan 8.380 nan 0.000 0.492 664 H N -1.698 117.405 119.070 0.055 0.000 3.628 664 H HA -0.166 4.392 4.556 0.004 0.000 0.173 664 H C -0.056 175.322 175.328 0.082 0.000 0.941 664 H CA 0.785 56.886 56.048 0.088 0.000 1.224 664 H CB -0.796 29.018 29.762 0.086 0.000 0.992 664 H HN 0.371 nan 8.280 nan 0.000 0.383 665 K N 1.697 122.142 120.400 0.075 0.000 2.235 665 K HA 0.428 4.750 4.320 0.003 0.000 0.266 665 K C 0.490 177.006 176.600 -0.140 0.000 0.980 665 K CA -0.505 55.802 56.287 0.033 0.000 0.849 665 K CB 1.081 33.601 32.500 0.033 0.000 1.098 665 K HN 0.008 nan 8.250 nan 0.000 0.445 666 L N 3.177 124.279 121.223 -0.201 0.000 2.483 666 L HA 0.158 4.500 4.340 0.003 0.000 0.275 666 L C -0.098 176.442 176.870 -0.550 0.000 1.220 666 L CA -0.337 54.167 54.840 -0.560 0.000 0.833 666 L CB 0.748 42.355 42.059 -0.753 0.000 1.102 666 L HN 0.348 nan 8.230 nan 0.000 0.490 667 V N 2.336 121.682 119.914 -0.947 0.000 2.531 667 V HA 0.348 4.470 4.120 0.003 0.000 0.301 667 V C -0.715 174.793 176.094 -0.978 0.000 1.034 667 V CA -0.398 61.395 62.300 -0.845 0.000 0.865 667 V CB 1.709 32.808 31.823 -1.206 0.000 0.995 667 V HN 0.350 nan 8.190 nan 0.000 0.424 668 F N 2.907 122.604 119.950 -0.422 0.000 2.332 668 F HA 0.543 5.074 4.527 0.007 0.000 0.368 668 F C 0.631 176.307 175.800 -0.207 0.000 1.110 668 F CA -0.199 57.619 58.000 -0.304 0.000 1.087 668 F CB 1.810 40.664 39.000 -0.244 0.000 1.235 668 F HN 0.402 nan 8.300 nan 0.000 0.470 669 S N 4.180 119.840 115.700 -0.066 0.000 2.451 669 S HA 0.361 4.833 4.470 0.003 0.000 0.301 669 S C -0.364 174.230 174.600 -0.010 0.000 1.116 669 S CA -1.046 57.157 58.200 0.005 0.000 1.093 669 S CB 0.306 63.568 63.200 0.102 0.000 1.017 669 S HN 0.664 nan 8.310 nan 0.000 0.482 670 N N 3.803 122.499 118.700 -0.006 0.000 2.530 670 N HA 0.177 4.919 4.740 0.003 0.000 0.273 670 N C -0.533 174.956 175.510 -0.034 0.000 1.173 670 N CA -0.347 52.684 53.050 -0.032 0.000 0.967 670 N CB 0.797 39.272 38.487 -0.020 0.000 1.109 670 N HN 0.264 nan 8.380 nan 0.000 0.453 671 V N 1.728 121.600 119.914 -0.070 0.000 2.539 671 V HA 0.149 4.271 4.120 0.003 0.000 0.292 671 V C 0.423 176.485 176.094 -0.054 0.000 1.045 671 V CA -0.945 61.322 62.300 -0.055 0.000 0.945 671 V CB 1.120 32.910 31.823 -0.055 0.000 0.993 671 V HN 0.664 nan 8.190 nan 0.000 0.464 672 N N 5.251 123.902 118.700 -0.082 0.000 3.124 672 N HA 0.413 5.155 4.740 0.003 0.000 0.284 672 N C -0.795 174.668 175.510 -0.078 0.000 1.209 672 N CA 0.190 53.179 53.050 -0.101 0.000 1.149 672 N CB 0.212 38.580 38.487 -0.197 0.000 1.434 672 N HN 0.510 nan 8.380 nan 0.000 0.529 673 L N -0.031 121.166 121.223 -0.042 0.000 2.409 673 L HA 0.360 4.702 4.340 0.003 0.000 0.255 673 L C 1.136 177.997 176.870 -0.015 0.000 1.027 673 L CA -0.736 54.090 54.840 -0.024 0.000 0.834 673 L CB 2.156 44.217 42.059 0.003 0.000 1.426 673 L HN -0.009 nan 8.230 nan 0.000 0.411 674 K N 0.842 121.236 120.400 -0.011 0.000 1.979 674 K HA 0.035 4.357 4.320 0.003 0.000 0.213 674 K C 0.065 176.659 176.600 -0.009 0.000 1.036 674 K CA 1.215 57.496 56.287 -0.008 0.000 0.954 674 K CB 0.212 32.708 32.500 -0.007 0.000 0.743 674 K HN 0.568 nan 8.250 nan 0.000 0.443 675 E N -0.544 119.653 120.200 -0.006 0.000 2.308 675 E HA 0.396 4.748 4.350 0.003 0.000 0.275 675 E C -1.843 174.754 176.600 -0.004 0.000 0.890 675 E CA -0.826 55.568 56.400 -0.010 0.000 0.754 675 E CB 2.056 31.745 29.700 -0.017 0.000 1.207 675 E HN -0.009 nan 8.360 nan 0.000 0.426 676 V N 4.954 124.869 119.914 0.001 0.000 2.443 676 V HA 0.199 4.321 4.120 0.003 0.000 0.293 676 V C 0.114 176.167 176.094 -0.068 0.000 1.021 676 V CA -0.734 61.570 62.300 0.007 0.000 0.848 676 V CB 1.354 33.246 31.823 0.115 0.000 0.998 676 V HN 0.729 nan 8.190 nan 0.000 0.424 677 N N 2.926 121.550 118.700 -0.127 0.000 2.207 677 N HA 0.078 4.820 4.740 0.003 0.000 0.182 677 N C -0.439 174.624 175.510 -0.745 0.000 1.020 677 N CA 1.367 54.193 53.050 -0.374 0.000 0.858 677 N CB 0.059 38.413 38.487 -0.222 0.000 0.991 677 N HN 0.683 nan 8.380 nan 0.000 0.427 678 Y N -1.220 119.030 120.300 -0.084 0.000 2.553 678 Y HA 0.531 5.083 4.550 0.002 0.000 0.347 678 Y C -0.082 175.702 175.900 -0.193 0.000 1.019 678 Y CA -1.007 57.009 58.100 -0.141 0.000 1.032 678 Y CB 1.824 40.148 38.460 -0.227 0.000 1.284 678 Y HN -0.220 nan 8.280 nan 0.000 0.466 679 M N 2.835 122.391 119.600 -0.073 0.000 2.618 679 M HA 0.806 5.288 4.480 0.003 0.000 0.281 679 M C -1.837 174.320 176.300 -0.240 0.000 1.267 679 M CA -0.635 54.502 55.300 -0.271 0.000 0.845 679 M CB 2.303 34.594 32.600 -0.514 0.000 1.732 679 M HN 1.021 nan 8.290 nan 0.000 0.461 680 C N 1.403 120.529 119.300 -0.290 0.000 3.279 680 C HA 0.754 5.216 4.460 0.003 0.000 0.386 680 C C -3.245 171.640 174.990 -0.175 0.000 1.081 680 C CA -1.002 57.900 59.018 -0.193 0.000 1.192 680 C CB 1.394 29.004 27.740 -0.216 0.000 1.552 680 C HN 0.673 nan 8.230 nan 0.000 0.559 681 P HA 0.481 nan 4.420 nan 0.000 0.275 681 P C -0.919 176.430 177.300 0.082 0.000 1.227 681 P CA -0.230 62.884 63.100 0.024 0.000 0.781 681 P CB 0.649 32.458 31.700 0.182 0.000 0.906 682 L N 3.326 124.624 121.223 0.126 0.000 2.439 682 L HA 0.490 4.832 4.340 0.003 0.000 0.270 682 L C -0.936 176.137 176.870 0.338 0.000 0.972 682 L CA -0.585 54.394 54.840 0.231 0.000 0.836 682 L CB 1.771 43.884 42.059 0.089 0.000 1.255 682 L HN 0.268 nan 8.230 nan 0.000 0.404 683 N N 2.644 121.683 118.700 0.566 0.000 2.841 683 N HA 0.249 4.991 4.740 0.003 0.000 0.257 683 N C -0.702 174.896 175.510 0.146 0.000 1.396 683 N CA -0.310 52.862 53.050 0.203 0.000 0.823 683 N CB 0.968 39.433 38.487 -0.036 0.000 1.162 683 N HN 0.614 nan 8.380 nan 0.000 0.503 684 S N 0.548 116.369 115.700 0.201 0.000 2.745 684 S HA 0.317 4.789 4.470 0.003 0.000 0.292 684 S C 0.784 175.416 174.600 0.054 0.000 1.133 684 S CA -0.427 57.855 58.200 0.136 0.000 0.998 684 S CB 1.133 64.427 63.200 0.157 0.000 1.087 684 S HN 0.387 nan 8.310 nan 0.000 0.551 685 D N -0.033 120.369 120.400 0.003 0.000 2.234 685 D HA 0.105 4.747 4.640 0.003 0.000 0.205 685 D C 1.767 178.016 176.300 -0.086 0.000 0.962 685 D CA 0.939 54.922 54.000 -0.030 0.000 0.855 685 D CB -0.768 40.011 40.800 -0.033 0.000 0.951 685 D HN 0.625 nan 8.370 nan 0.000 0.500 686 G N -0.960 107.735 108.800 -0.175 0.000 2.430 686 G HA2 -0.104 3.858 3.960 0.003 0.000 0.216 686 G HA3 -0.104 3.858 3.960 0.003 0.000 0.216 686 G C -0.120 174.461 174.900 -0.532 0.000 1.146 686 G CA 0.161 45.012 45.100 -0.415 0.000 0.793 686 G HN 0.240 nan 8.290 nan 0.000 0.537 687 Y N 1.081 121.417 120.300 0.061 0.000 2.747 687 Y HA 0.390 4.941 4.550 0.002 0.000 0.362 687 Y C -2.432 173.519 175.900 0.085 0.000 1.026 687 Y CA -3.749 54.404 58.100 0.088 0.000 1.135 687 Y CB 1.055 39.571 38.460 0.092 0.000 1.175 687 Y HN -0.008 nan 8.280 nan 0.000 0.643 688 P HA 0.012 nan 4.420 nan 0.000 0.263 688 P C -0.224 177.156 177.300 0.134 0.000 1.195 688 P CA 0.440 63.610 63.100 0.117 0.000 0.762 688 P CB 0.485 32.231 31.700 0.077 0.000 0.799 689 D N 0.737 121.201 120.400 0.108 0.000 2.890 689 D HA -0.133 4.509 4.640 0.003 0.000 0.226 689 D C -0.258 176.103 176.300 0.102 0.000 1.207 689 D CA 1.154 55.215 54.000 0.102 0.000 0.764 689 D CB -1.023 39.831 40.800 0.091 0.000 0.948 689 D HN 0.258 nan 8.370 nan 0.000 0.404 690 S N -0.347 115.412 115.700 0.098 0.000 2.810 690 S HA 0.787 5.259 4.470 0.003 0.000 0.315 690 S C -0.342 174.219 174.600 -0.066 0.000 1.138 690 S CA -0.869 57.347 58.200 0.028 0.000 0.889 690 S CB 1.947 65.189 63.200 0.070 0.000 1.236 690 S HN 0.149 nan 8.310 nan 0.000 0.548 691 L N 1.139 122.259 121.223 -0.173 0.000 2.386 691 L HA 0.721 5.063 4.340 0.003 0.000 0.271 691 L C -0.322 176.386 176.870 -0.270 0.000 0.993 691 L CA -0.551 54.114 54.840 -0.291 0.000 0.819 691 L CB 1.309 43.094 42.059 -0.457 0.000 1.294 691 L HN 0.796 nan 8.230 nan 0.000 0.414 692 A N 4.953 127.618 122.820 -0.259 0.000 2.253 692 A HA 0.767 5.089 4.320 0.003 0.000 0.316 692 A C -0.670 176.755 177.584 -0.265 0.000 1.327 692 A CA -0.314 51.585 52.037 -0.229 0.000 0.917 692 A CB -0.006 18.887 19.000 -0.179 0.000 1.162 692 A HN 0.640 nan 8.150 nan 0.000 0.535 693 L N 1.845 122.922 121.223 -0.244 0.000 2.334 693 L HA 0.831 5.173 4.340 0.003 0.000 0.272 693 L C 0.354 177.145 176.870 -0.132 0.000 1.020 693 L CA -0.456 54.250 54.840 -0.223 0.000 0.812 693 L CB 2.076 44.000 42.059 -0.226 0.000 1.264 693 L HN 0.746 nan 8.230 nan 0.000 0.439 694 A N 1.599 124.369 122.820 -0.084 0.000 2.459 694 A HA 0.667 4.989 4.320 0.003 0.000 0.296 694 A C -1.093 176.498 177.584 0.011 0.000 1.039 694 A CA -0.710 51.311 52.037 -0.027 0.000 0.698 694 A CB 1.404 20.395 19.000 -0.016 0.000 1.261 694 A HN 0.798 nan 8.150 nan 0.000 0.405 695 N N 1.026 119.734 118.700 0.013 0.000 3.040 695 N HA 0.259 5.001 4.740 0.003 0.000 0.339 695 N C 0.463 176.001 175.510 0.046 0.000 1.387 695 N CA -0.257 52.803 53.050 0.017 0.000 0.745 695 N CB 0.108 38.597 38.487 0.005 0.000 1.237 695 N HN 0.422 nan 8.380 nan 0.000 0.565 696 N N -1.014 117.711 118.700 0.040 0.000 2.459 696 N HA -0.083 4.659 4.740 0.003 0.000 0.181 696 N C 0.441 175.991 175.510 0.066 0.000 1.046 696 N CA 1.383 54.468 53.050 0.058 0.000 0.904 696 N CB -0.082 38.431 38.487 0.043 0.000 0.964 696 N HN 0.679 nan 8.380 nan 0.000 0.444 697 S N -0.775 114.957 115.700 0.054 0.000 2.691 697 S HA 0.064 4.536 4.470 0.003 0.000 0.258 697 S C 0.642 175.276 174.600 0.056 0.000 1.078 697 S CA -0.195 58.040 58.200 0.058 0.000 1.000 697 S CB 0.316 63.541 63.200 0.041 0.000 0.942 697 S HN 0.284 nan 8.310 nan 0.000 0.521 698 T N 0.704 115.282 114.554 0.040 0.000 2.900 698 T HA 0.682 5.034 4.350 0.003 0.000 0.295 698 T C -0.739 173.968 174.700 0.011 0.000 1.044 698 T CA -0.828 61.290 62.100 0.030 0.000 0.995 698 T CB 1.821 70.699 68.868 0.016 0.000 1.072 698 T HN 0.199 nan 8.240 nan 0.000 0.473 699 L N 1.992 123.220 121.223 0.009 0.000 2.421 699 L HA 0.799 5.141 4.340 0.003 0.000 0.263 699 L C -0.134 176.708 176.870 -0.046 0.000 1.122 699 L CA 0.438 55.265 54.840 -0.021 0.000 0.804 699 L CB 1.362 43.418 42.059 -0.005 0.000 1.150 699 L HN 1.203 nan 8.230 nan 0.000 0.457 700 T N 4.447 118.948 114.554 -0.088 0.000 3.579 700 T HA 0.475 4.827 4.350 0.003 0.000 0.360 700 T C -1.079 173.514 174.700 -0.180 0.000 1.285 700 T CA -0.486 61.546 62.100 -0.114 0.000 1.127 700 T CB 0.497 69.309 68.868 -0.093 0.000 1.244 700 T HN 0.398 nan 8.240 nan 0.000 0.476 701 I N 3.844 124.272 120.570 -0.237 0.000 2.441 701 I HA 0.834 5.006 4.170 0.003 0.000 0.295 701 I C 0.892 176.817 176.117 -0.321 0.000 0.994 701 I CA -0.441 60.660 61.300 -0.332 0.000 1.144 701 I CB 2.051 39.702 38.000 -0.581 0.000 1.314 701 I HN 0.943 nan 8.210 nan 0.000 0.445 702 G N 2.491 111.099 108.800 -0.320 0.000 2.561 702 G HA2 0.643 4.605 3.960 0.003 0.000 0.310 702 G HA3 0.643 4.605 3.960 0.003 0.000 0.310 702 G C -1.339 173.374 174.900 -0.311 0.000 1.292 702 G CA -0.381 44.462 45.100 -0.428 0.000 0.811 702 G HN 0.566 nan 8.290 nan 0.000 0.482 703 T N -1.453 112.927 114.554 -0.289 0.000 2.916 703 T HA 0.630 4.982 4.350 0.003 0.000 0.298 703 T C -0.165 174.475 174.700 -0.100 0.000 1.031 703 T CA -0.672 61.361 62.100 -0.113 0.000 0.993 703 T CB 1.498 70.389 68.868 0.038 0.000 1.045 703 T HN 0.512 nan 8.240 nan 0.000 0.454 704 I N 2.232 122.753 120.570 -0.082 0.000 2.836 704 I HA 0.149 4.321 4.170 0.003 0.000 0.285 704 I C 0.274 176.395 176.117 0.007 0.000 1.174 704 I CA 0.163 61.435 61.300 -0.048 0.000 1.405 704 I CB 0.604 38.611 38.000 0.012 0.000 1.385 704 I HN 0.815 nan 8.210 nan 0.000 0.594 705 D N 4.461 124.857 120.400 -0.005 0.000 2.316 705 D HA 0.149 4.791 4.640 0.003 0.000 0.245 705 D C 1.008 177.345 176.300 0.062 0.000 1.171 705 D CA -0.116 53.914 54.000 0.051 0.000 0.856 705 D CB 0.895 41.738 40.800 0.071 0.000 1.090 705 D HN 0.340 nan 8.370 nan 0.000 0.476 706 E N 1.707 121.944 120.200 0.063 0.000 2.330 706 E HA -0.220 4.132 4.350 0.003 0.000 0.239 706 E C 0.257 176.838 176.600 -0.031 0.000 1.097 706 E CA 1.556 57.971 56.400 0.024 0.000 1.031 706 E CB -0.093 29.617 29.700 0.017 0.000 0.885 706 E HN 0.541 nan 8.360 nan 0.000 0.479 707 I N -0.962 119.598 120.570 -0.016 0.000 2.828 707 I HA 0.020 4.192 4.170 0.003 0.000 0.295 707 I C -0.866 175.262 176.117 0.018 0.000 1.459 707 I CA -1.133 60.137 61.300 -0.050 0.000 1.015 707 I CB 1.832 39.755 38.000 -0.128 0.000 1.345 707 I HN 0.018 nan 8.210 nan 0.000 0.449 708 Q N 4.829 124.661 119.800 0.053 0.000 2.700 708 Q HA -0.051 4.291 4.340 0.003 0.000 0.399 708 Q C -0.872 175.141 176.000 0.023 0.000 1.370 708 Q CA 0.631 56.480 55.803 0.077 0.000 1.059 708 Q CB -0.225 28.565 28.738 0.088 0.000 1.241 708 Q HN 0.608 nan 8.270 nan 0.000 0.508 709 K N -0.565 119.818 120.400 -0.029 0.000 2.622 709 K HA 0.375 4.697 4.320 0.003 0.000 0.273 709 K C -1.446 174.990 176.600 -0.273 0.000 0.957 709 K CA -0.888 55.307 56.287 -0.152 0.000 0.861 709 K CB 0.678 33.059 32.500 -0.200 0.000 1.405 709 K HN 0.463 nan 8.250 nan 0.000 0.406 710 L N 3.244 124.368 121.223 -0.164 0.000 2.410 710 L HA 0.215 4.557 4.340 0.003 0.000 0.273 710 L C -0.298 176.431 176.870 -0.235 0.000 1.152 710 L CA -0.290 54.480 54.840 -0.117 0.000 0.855 710 L CB -0.079 41.957 42.059 -0.038 0.000 1.129 710 L HN 0.552 nan 8.230 nan 0.000 0.463 711 H N 3.495 122.570 119.070 0.007 0.000 2.489 711 H HA 0.455 5.012 4.556 0.003 0.000 0.322 711 H C -0.295 175.026 175.328 -0.011 0.000 1.091 711 H CA -0.365 55.686 56.048 0.005 0.000 1.291 711 H CB 1.196 30.959 29.762 0.002 0.000 1.436 711 H HN 0.409 nan 8.280 nan 0.000 0.480 712 I N 3.417 124.033 120.570 0.076 0.000 2.337 712 I HA 0.230 4.402 4.170 0.003 0.000 0.285 712 I C 0.157 176.270 176.117 -0.008 0.000 1.041 712 I CA -0.610 60.699 61.300 0.015 0.000 1.199 712 I CB 0.516 38.513 38.000 -0.006 0.000 1.370 712 I HN 0.370 nan 8.210 nan 0.000 0.470 713 R N 4.003 124.474 120.500 -0.048 0.000 2.308 713 R HA 0.412 4.754 4.340 0.003 0.000 0.305 713 R C -0.345 175.864 176.300 -0.152 0.000 1.053 713 R CA 0.037 56.080 56.100 -0.095 0.000 0.957 713 R CB 1.640 31.860 30.300 -0.133 0.000 1.022 713 R HN 0.662 nan 8.270 nan 0.000 0.461 714 T N 0.970 115.442 114.554 -0.137 0.000 2.893 714 T HA 0.526 4.878 4.350 0.003 0.000 0.291 714 T C -1.138 173.465 174.700 -0.162 0.000 1.028 714 T CA -0.605 61.402 62.100 -0.155 0.000 0.995 714 T CB 1.422 70.225 68.868 -0.109 0.000 1.051 714 T HN 0.168 nan 8.240 nan 0.000 0.470 715 V N 5.954 125.758 119.914 -0.183 0.000 2.380 715 V HA 0.422 4.544 4.120 0.003 0.000 0.286 715 V C -2.454 173.550 176.094 -0.151 0.000 1.015 715 V CA -1.893 60.322 62.300 -0.142 0.000 0.834 715 V CB 1.165 32.899 31.823 -0.149 0.000 1.009 715 V HN 0.789 nan 8.190 nan 0.000 0.428 716 P HA 0.258 nan 4.420 nan 0.000 0.269 716 P C 0.433 177.526 177.300 -0.345 0.000 1.209 716 P CA 0.177 63.046 63.100 -0.385 0.000 0.776 716 P CB 1.046 32.442 31.700 -0.507 0.000 0.876 717 L N 1.207 122.162 121.223 -0.447 0.000 2.730 717 L HA 0.164 4.505 4.340 0.003 0.000 0.236 717 L C 0.321 177.152 176.870 -0.066 0.000 1.061 717 L CA 0.080 54.818 54.840 -0.171 0.000 0.898 717 L CB -0.030 41.958 42.059 -0.118 0.000 1.270 717 L HN 0.393 nan 8.230 nan 0.000 0.500 718 Y N 0.483 120.773 120.300 -0.017 0.000 4.907 718 Y HA -0.308 4.244 4.550 0.003 0.000 0.246 718 Y C 0.564 176.464 175.900 0.000 0.000 0.968 718 Y CA 0.856 58.953 58.100 -0.005 0.000 1.961 718 Y CB -1.891 36.566 38.460 -0.006 0.000 1.487 718 Y HN 0.479 nan 8.280 nan 0.000 0.575 719 E N -1.469 118.754 120.200 0.038 0.000 2.458 719 E HA 0.713 5.065 4.350 0.003 0.000 0.278 719 E C -0.981 175.579 176.600 -0.066 0.000 1.004 719 E CA -1.051 55.358 56.400 0.015 0.000 0.823 719 E CB 1.540 31.247 29.700 0.012 0.000 1.396 719 E HN -0.084 nan 8.360 nan 0.000 0.463 720 S N 2.623 118.258 115.700 -0.108 0.000 2.422 720 S HA 0.285 4.757 4.470 0.003 0.000 0.283 720 S C -2.154 172.343 174.600 -0.172 0.000 1.163 720 S CA -0.870 57.217 58.200 -0.188 0.000 1.054 720 S CB 0.295 63.331 63.200 -0.274 0.000 0.967 720 S HN 0.319 nan 8.310 nan 0.000 0.499 721 P HA 0.382 nan 4.420 nan 0.000 0.285 721 P C -0.022 177.213 177.300 -0.108 0.000 1.259 721 P CA -0.625 62.407 63.100 -0.113 0.000 0.794 721 P CB 1.259 32.901 31.700 -0.096 0.000 0.940 722 R N 1.471 121.920 120.500 -0.086 0.000 2.276 722 R HA 0.289 4.631 4.340 0.003 0.000 0.195 722 R C 0.600 176.899 176.300 -0.002 0.000 0.908 722 R CA 0.668 56.735 56.100 -0.055 0.000 1.083 722 R CB 0.234 30.492 30.300 -0.070 0.000 1.182 722 R HN 0.460 nan 8.270 nan 0.000 0.608 723 K N 0.185 120.592 120.400 0.011 0.000 2.469 723 K HA 0.522 4.844 4.320 0.003 0.000 0.268 723 K C -1.106 175.532 176.600 0.063 0.000 1.027 723 K CA -0.734 55.584 56.287 0.052 0.000 0.893 723 K CB 2.533 35.078 32.500 0.075 0.000 1.460 723 K HN -0.018 nan 8.250 nan 0.000 0.449 724 I N -0.222 120.412 120.570 0.107 0.000 2.785 724 I HA 0.379 4.551 4.170 0.003 0.000 0.293 724 I C -1.469 174.793 176.117 0.241 0.000 1.446 724 I CA -0.423 60.969 61.300 0.152 0.000 1.028 724 I CB 1.514 39.570 38.000 0.095 0.000 1.349 724 I HN 0.664 nan 8.210 nan 0.000 0.438 725 C N 4.300 123.811 119.300 0.352 0.000 3.256 725 C HA 0.746 5.208 4.460 0.003 0.000 0.361 725 C C -1.433 173.897 174.990 0.566 0.000 1.665 725 C CA -0.440 58.815 59.018 0.395 0.000 1.445 725 C CB 2.051 30.017 27.740 0.378 0.000 2.144 725 C HN 0.690 nan 8.230 nan 0.000 0.448 726 Y N 1.143 121.569 120.300 0.209 0.000 2.401 726 Y HA 0.516 5.069 4.550 0.004 0.000 0.330 726 Y C -0.775 175.037 175.900 -0.146 0.000 1.071 726 Y CA -0.354 57.715 58.100 -0.052 0.000 1.049 726 Y CB 1.069 39.489 38.460 -0.066 0.000 1.239 726 Y HN 0.697 nan 8.280 nan 0.000 0.437 727 Q N 5.529 124.708 119.800 -1.035 0.000 2.413 727 Q HA 0.239 4.581 4.340 0.003 0.000 0.258 727 Q C 0.625 175.973 176.000 -1.086 0.000 1.037 727 Q CA -0.267 55.010 55.803 -0.877 0.000 0.764 727 Q CB 1.380 29.726 28.738 -0.653 0.000 1.217 727 Q HN 0.975 nan 8.270 nan 0.000 0.490 728 E N 2.516 122.126 120.200 -0.983 0.000 2.021 728 E HA -0.257 4.095 4.350 0.003 0.000 0.200 728 E C 1.548 177.961 176.600 -0.311 0.000 1.015 728 E CA 2.467 58.535 56.400 -0.553 0.000 0.824 728 E CB -0.025 29.554 29.700 -0.202 0.000 0.762 728 E HN 0.622 nan 8.360 nan 0.000 0.454 729 V N -0.544 119.222 119.914 -0.247 0.000 2.317 729 V HA -0.277 3.845 4.120 0.003 0.000 0.251 729 V C 2.128 178.144 176.094 -0.130 0.000 1.065 729 V CA 2.436 64.640 62.300 -0.159 0.000 1.049 729 V CB -0.874 30.857 31.823 -0.154 0.000 0.651 729 V HN 0.199 nan 8.190 nan 0.000 0.450 730 S N -1.044 114.556 115.700 -0.166 0.000 2.489 730 S HA 0.019 4.491 4.470 0.003 0.000 0.228 730 S C 0.827 175.390 174.600 -0.062 0.000 0.995 730 S CA 0.680 58.852 58.200 -0.047 0.000 0.934 730 S CB -0.353 62.861 63.200 0.022 0.000 0.771 730 S HN 0.777 nan 8.310 nan 0.000 0.522 731 Q N -0.304 119.394 119.800 -0.171 0.000 2.470 731 Q HA -0.172 4.170 4.340 0.003 0.000 0.294 731 Q C -0.186 175.697 176.000 -0.195 0.000 1.356 731 Q CA 0.947 56.661 55.803 -0.149 0.000 0.805 731 Q CB -2.632 26.078 28.738 -0.046 0.000 1.157 731 Q HN 0.822 nan 8.270 nan 0.000 0.431 732 C N -3.784 115.339 119.300 -0.294 0.000 3.295 732 C HA 0.838 5.300 4.460 0.003 0.000 0.341 732 C C -0.772 174.029 174.990 -0.314 0.000 1.418 732 C CA -1.316 57.547 59.018 -0.257 0.000 1.240 732 C CB 1.500 29.155 27.740 -0.142 0.000 1.562 732 C HN 0.179 nan 8.230 nan 0.000 0.457 733 F N 0.688 120.687 119.950 0.082 0.000 2.522 733 F HA 0.694 5.223 4.527 0.003 0.000 0.324 733 F C 0.936 176.768 175.800 0.054 0.000 1.077 733 F CA 0.214 58.319 58.000 0.175 0.000 0.944 733 F CB 2.152 41.246 39.000 0.157 0.000 1.175 733 F HN 1.050 nan 8.300 nan 0.000 0.468 734 G N 1.335 110.317 108.800 0.302 0.000 2.368 734 G HA2 0.585 4.547 3.960 0.003 0.000 0.320 734 G HA3 0.585 4.547 3.960 0.003 0.000 0.320 734 G C -1.719 173.187 174.900 0.009 0.000 1.158 734 G CA -0.569 44.408 45.100 -0.205 0.000 0.912 734 G HN 0.486 nan 8.290 nan 0.000 0.456 735 V N 3.735 123.601 119.914 -0.080 0.000 2.577 735 V HA 0.361 4.483 4.120 0.003 0.000 0.303 735 V C 0.019 176.091 176.094 -0.036 0.000 1.042 735 V CA -0.698 61.592 62.300 -0.017 0.000 0.872 735 V CB 1.736 33.553 31.823 -0.010 0.000 0.998 735 V HN 0.634 nan 8.190 nan 0.000 0.423 736 L N 3.804 125.023 121.223 -0.005 0.000 2.349 736 L HA 0.648 4.990 4.340 0.003 0.000 0.275 736 L C 0.372 177.210 176.870 -0.053 0.000 1.115 736 L CA 0.341 55.182 54.840 0.001 0.000 0.820 736 L CB 1.569 43.636 42.059 0.013 0.000 1.135 736 L HN 0.760 nan 8.230 nan 0.000 0.445 737 S N 2.127 117.785 115.700 -0.070 0.000 2.588 737 S HA 0.680 5.152 4.470 0.003 0.000 0.275 737 S C -1.045 173.392 174.600 -0.271 0.000 1.130 737 S CA -0.505 57.607 58.200 -0.146 0.000 0.855 737 S CB 2.194 65.341 63.200 -0.088 0.000 1.116 737 S HN 0.599 nan 8.310 nan 0.000 0.472 738 S N 1.331 116.835 115.700 -0.327 0.000 2.549 738 S HA 0.817 5.289 4.470 0.003 0.000 0.280 738 S C -1.109 173.393 174.600 -0.163 0.000 1.109 738 S CA -0.839 57.120 58.200 -0.403 0.000 0.905 738 S CB 1.111 63.876 63.200 -0.725 0.000 1.081 738 S HN 1.007 nan 8.310 nan 0.000 0.477 739 R N 2.394 122.847 120.500 -0.079 0.000 2.808 739 R HA 0.647 4.989 4.340 0.003 0.000 0.272 739 R C -1.344 174.967 176.300 0.018 0.000 0.995 739 R CA -1.036 55.060 56.100 -0.006 0.000 0.917 739 R CB 0.704 31.006 30.300 0.004 0.000 1.217 739 R HN 0.450 nan 8.270 nan 0.000 0.471 740 I N 2.289 122.883 120.570 0.040 0.000 2.297 740 I HA 0.268 4.440 4.170 0.003 0.000 0.291 740 I C -0.135 175.986 176.117 0.007 0.000 1.033 740 I CA -0.252 61.065 61.300 0.029 0.000 1.253 740 I CB 0.966 38.984 38.000 0.030 0.000 1.396 740 I HN 0.698 nan 8.210 nan 0.000 0.476 741 E N 5.555 125.757 120.200 0.003 0.000 2.199 741 E HA 0.506 4.858 4.350 0.003 0.000 0.269 741 E C -0.690 175.894 176.600 -0.027 0.000 0.899 741 E CA -0.768 55.626 56.400 -0.010 0.000 0.772 741 E CB 3.169 32.871 29.700 0.002 0.000 1.155 741 E HN 0.411 nan 8.360 nan 0.000 0.408 742 V N 0.297 120.175 119.914 -0.060 0.000 2.716 742 V HA 0.357 4.479 4.120 0.003 0.000 0.304 742 V C 0.029 176.053 176.094 -0.116 0.000 1.053 742 V CA -1.062 61.173 62.300 -0.109 0.000 0.984 742 V CB 1.480 33.196 31.823 -0.178 0.000 1.021 742 V HN 0.586 nan 8.190 nan 0.000 0.467 743 Q N 1.875 121.597 119.800 -0.129 0.000 2.395 743 Q HA 0.253 4.595 4.340 0.003 0.000 0.271 743 Q C -0.545 175.396 176.000 -0.099 0.000 1.026 743 Q CA 0.783 56.551 55.803 -0.058 0.000 0.900 743 Q CB 0.597 29.338 28.738 0.006 0.000 1.266 743 Q HN 1.010 nan 8.270 nan 0.000 0.430 744 D N 0.757 121.235 120.400 0.130 0.000 2.879 744 D HA 0.127 4.769 4.640 0.003 0.000 0.236 744 D C 0.357 176.885 176.300 0.379 0.000 1.171 744 D CA 0.163 54.369 54.000 0.344 0.000 0.868 744 D CB 1.641 42.551 40.800 0.184 0.000 1.598 744 D HN 0.738 nan 8.370 nan 0.000 0.497 745 T N 0.121 114.917 114.554 0.403 0.000 2.721 745 T HA -0.210 4.142 4.350 0.003 0.000 0.268 745 T C 1.595 176.338 174.700 0.071 0.000 1.038 745 T CA 1.500 63.643 62.100 0.072 0.000 1.145 745 T CB -0.266 68.510 68.868 -0.153 0.000 0.858 745 T HN 0.222 nan 8.240 nan 0.000 0.459 746 S N 0.547 116.304 115.700 0.095 0.000 2.988 746 S HA 0.314 4.786 4.470 0.003 0.000 0.237 746 S C 1.654 176.289 174.600 0.059 0.000 0.989 746 S CA 0.777 59.015 58.200 0.063 0.000 1.054 746 S CB -1.625 61.613 63.200 0.064 0.000 0.818 746 S HN 1.144 nan 8.310 nan 0.000 0.526 747 G N -0.643 108.196 108.800 0.065 0.000 2.659 747 G HA2 -0.188 3.774 3.960 0.003 0.000 0.212 747 G HA3 -0.188 3.774 3.960 0.003 0.000 0.212 747 G C 0.530 175.470 174.900 0.067 0.000 1.226 747 G CA -0.109 45.026 45.100 0.058 0.000 0.739 747 G HN 1.001 nan 8.290 nan 0.000 0.528 748 G N -0.670 108.171 108.800 0.069 0.000 3.234 748 G HA2 0.735 4.697 3.960 0.003 0.000 0.159 748 G HA3 0.735 4.697 3.960 0.003 0.000 0.159 748 G C -0.047 174.892 174.900 0.065 0.000 1.175 748 G CA 1.107 46.245 45.100 0.064 0.000 0.900 748 G HN 1.520 nan 8.290 nan 0.000 0.621 749 T N -2.048 112.533 114.554 0.044 0.000 2.829 749 T HA 0.647 4.999 4.350 0.003 0.000 0.280 749 T C 0.221 174.930 174.700 0.015 0.000 0.999 749 T CA -0.300 61.814 62.100 0.024 0.000 0.983 749 T CB 1.784 70.663 68.868 0.018 0.000 0.968 749 T HN 0.335 nan 8.240 nan 0.000 0.446 750 T N 1.821 116.376 114.554 0.001 0.000 4.042 750 T HA 0.813 5.165 4.350 0.003 0.000 0.252 750 T C 0.555 175.250 174.700 -0.008 0.000 0.951 750 T CA 0.192 62.292 62.100 0.001 0.000 1.528 750 T CB -0.214 68.655 68.868 0.001 0.000 2.404 750 T HN 1.191 nan 8.240 nan 0.000 0.398 751 A N -0.962 121.849 122.820 -0.014 0.000 2.467 751 A HA 0.677 4.999 4.320 0.003 0.000 0.301 751 A C -0.759 176.814 177.584 -0.019 0.000 1.126 751 A CA -0.649 51.380 52.037 -0.014 0.000 0.632 751 A CB -0.020 18.976 19.000 -0.008 0.000 1.331 751 A HN 0.518 nan 8.150 nan 0.000 0.482 752 L N -0.669 120.545 121.223 -0.014 0.000 2.878 752 L HA 0.416 4.758 4.340 0.003 0.000 0.253 752 L C 0.612 177.473 176.870 -0.015 0.000 1.135 752 L CA 0.368 55.199 54.840 -0.016 0.000 0.943 752 L CB 0.091 42.141 42.059 -0.015 0.000 1.307 752 L HN 0.813 nan 8.230 nan 0.000 0.545 753 R N -1.151 119.340 120.500 -0.015 0.000 2.825 753 R HA 0.413 4.755 4.340 0.003 0.000 0.274 753 R C -3.202 173.072 176.300 -0.043 0.000 1.026 753 R CA -1.284 54.796 56.100 -0.034 0.000 0.867 753 R CB -0.313 29.971 30.300 -0.027 0.000 1.268 753 R HN -0.328 nan 8.270 nan 0.000 0.491 754 P HA 0.164 nan 4.420 nan 0.000 0.269 754 P C -0.951 176.301 177.300 -0.079 0.000 1.209 754 P CA -0.074 62.969 63.100 -0.093 0.000 0.776 754 P CB 0.964 32.578 31.700 -0.144 0.000 0.876 755 S N 0.324 116.019 115.700 -0.008 0.000 2.607 755 S HA 0.630 5.102 4.470 0.003 0.000 0.273 755 S C 0.973 175.620 174.600 0.078 0.000 1.148 755 S CA -0.200 58.053 58.200 0.089 0.000 0.833 755 S CB 1.264 64.520 63.200 0.093 0.000 1.130 755 S HN 0.318 nan 8.310 nan 0.000 0.470 756 A N 1.850 124.743 122.820 0.122 0.000 1.958 756 A HA -0.126 4.196 4.320 0.003 0.000 0.221 756 A C 2.335 179.928 177.584 0.014 0.000 1.178 756 A CA 2.887 54.965 52.037 0.070 0.000 0.642 756 A CB -1.730 17.303 19.000 0.054 0.000 0.816 756 A HN 1.666 nan 8.150 nan 0.000 0.453 757 S N -0.814 114.885 115.700 -0.001 0.000 2.395 757 S HA -0.143 4.329 4.470 0.003 0.000 0.225 757 S C 1.987 176.564 174.600 -0.039 0.000 1.027 757 S CA 1.778 59.956 58.200 -0.036 0.000 0.965 757 S CB -1.182 61.996 63.200 -0.036 0.000 0.812 757 S HN 0.827 nan 8.310 nan 0.000 0.482 758 T N -0.977 113.565 114.554 -0.019 0.000 2.814 758 T HA 0.045 4.397 4.350 0.003 0.000 0.254 758 T C 1.481 176.170 174.700 -0.018 0.000 1.037 758 T CA 0.591 62.677 62.100 -0.022 0.000 1.143 758 T CB -0.659 68.198 68.868 -0.017 0.000 0.866 758 T HN 0.260 nan 8.240 nan 0.000 0.431 759 Q N 2.217 122.011 119.800 -0.011 0.000 2.903 759 Q HA 0.489 4.831 4.340 0.003 0.000 0.295 759 Q C -0.248 175.755 176.000 0.004 0.000 1.157 759 Q CA -0.298 55.501 55.803 -0.007 0.000 0.930 759 Q CB -0.538 28.193 28.738 -0.012 0.000 1.571 759 Q HN 0.701 nan 8.270 nan 0.000 0.440 760 A N 0.199 123.017 122.820 -0.005 0.000 2.282 760 A HA 0.417 4.739 4.320 0.003 0.000 0.319 760 A C 0.902 178.498 177.584 0.020 0.000 1.121 760 A CA -0.534 51.503 52.037 -0.000 0.000 0.836 760 A CB 0.737 19.716 19.000 -0.036 0.000 1.146 760 A HN 0.559 nan 8.150 nan 0.000 0.494 761 L N 0.461 121.709 121.223 0.042 0.000 1.971 761 L HA -0.035 4.307 4.340 0.003 0.000 0.208 761 L C 1.479 178.400 176.870 0.086 0.000 1.083 761 L CA 1.026 55.904 54.840 0.063 0.000 0.753 761 L CB -0.689 41.417 42.059 0.079 0.000 0.893 761 L HN 0.683 nan 8.230 nan 0.000 0.436 762 S N -1.148 114.640 115.700 0.147 0.000 2.661 762 S HA 0.418 4.890 4.470 0.003 0.000 0.265 762 S C -0.097 174.598 174.600 0.159 0.000 1.225 762 S CA -0.415 57.938 58.200 0.254 0.000 0.986 762 S CB 1.609 65.122 63.200 0.522 0.000 1.008 762 S HN 0.372 nan 8.310 nan 0.000 0.565 763 S N -0.343 115.473 115.700 0.194 0.000 2.611 763 S HA 0.627 5.099 4.470 0.003 0.000 0.270 763 S C -1.570 173.088 174.600 0.097 0.000 1.131 763 S CA -0.137 58.033 58.200 -0.051 0.000 0.826 763 S CB 0.646 63.826 63.200 -0.033 0.000 1.095 763 S HN 1.344 nan 8.310 nan 0.000 0.461 764 S N 0.338 116.004 115.700 -0.056 0.000 2.627 764 S HA 0.754 5.226 4.470 0.003 0.000 0.268 764 S C -1.122 173.316 174.600 -0.271 0.000 1.130 764 S CA -0.195 58.005 58.200 -0.000 0.000 0.819 764 S CB 0.565 63.935 63.200 0.284 0.000 1.100 764 S HN 2.140 nan 8.310 nan 0.000 0.465 765 V N -1.346 118.420 119.914 -0.246 0.000 3.007 765 V HA 0.883 5.005 4.120 0.003 0.000 0.311 765 V C 0.018 175.983 176.094 -0.216 0.000 1.120 765 V CA -0.360 61.726 62.300 -0.356 0.000 0.980 765 V CB 1.482 33.214 31.823 -0.151 0.000 1.033 765 V HN 1.346 nan 8.190 nan 0.000 0.429 766 S N 1.899 117.490 115.700 -0.182 0.000 2.525 766 S HA 0.215 4.686 4.470 0.003 0.000 0.285 766 S C 1.221 175.883 174.600 0.102 0.000 1.283 766 S CA 0.305 58.570 58.200 0.108 0.000 1.072 766 S CB 0.481 63.795 63.200 0.190 0.000 0.867 766 S HN 1.742 nan 8.310 nan 0.000 0.492 767 S N 3.110 118.888 115.700 0.129 0.000 2.540 767 S HA 0.176 4.648 4.470 0.003 0.000 0.218 767 S C 0.730 175.385 174.600 0.092 0.000 0.977 767 S CA -0.250 58.007 58.200 0.095 0.000 0.918 767 S CB 0.023 63.275 63.200 0.087 0.000 0.806 767 S HN 0.632 nan 8.310 nan 0.000 0.496 768 S N 1.785 117.554 115.700 0.115 0.000 2.558 768 S HA 0.127 4.599 4.470 0.003 0.000 0.287 768 S C 0.708 175.360 174.600 0.087 0.000 1.321 768 S CA -0.042 58.217 58.200 0.098 0.000 1.048 768 S CB 0.273 63.556 63.200 0.139 0.000 0.844 768 S HN 0.384 nan 8.310 nan 0.000 0.512 769 K N 4.043 124.467 120.400 0.041 0.000 2.447 769 K HA 0.226 4.548 4.320 0.003 0.000 0.205 769 K C 1.520 178.096 176.600 -0.039 0.000 1.059 769 K CA -0.105 56.197 56.287 0.026 0.000 1.065 769 K CB -0.179 32.328 32.500 0.012 0.000 0.885 769 K HN 0.573 nan 8.250 nan 0.000 0.545 770 L N 0.223 121.376 121.223 -0.116 0.000 2.089 770 L HA -0.115 4.227 4.340 0.003 0.000 0.213 770 L C -0.011 176.467 176.870 -0.655 0.000 1.079 770 L CA 1.602 56.191 54.840 -0.418 0.000 0.758 770 L CB -0.061 41.649 42.059 -0.582 0.000 0.891 770 L HN 0.005 nan 8.230 nan 0.000 0.433 771 F N -1.500 118.488 119.950 0.062 0.000 2.518 771 F HA 0.337 4.866 4.527 0.003 0.000 0.323 771 F C 0.275 176.115 175.800 0.067 0.000 1.129 771 F CA -0.501 57.542 58.000 0.071 0.000 0.920 771 F CB 1.800 40.858 39.000 0.097 0.000 1.160 771 F HN -0.182 nan 8.300 nan 0.000 0.440 772 S N 0.052 115.869 115.700 0.194 0.000 4.266 772 S HA 0.206 4.678 4.470 0.003 0.000 0.071 772 S C -0.832 173.816 174.600 0.080 0.000 0.860 772 S CA -0.652 57.624 58.200 0.127 0.000 0.847 772 S CB -0.975 62.283 63.200 0.097 0.000 0.824 772 S HN 0.443 nan 8.310 nan 0.000 0.757 781 S N 0.849 116.598 115.700 0.082 0.000 2.216 781 S HA 0.078 4.550 4.470 0.003 0.000 0.307 781 S C 1.095 175.808 174.600 0.189 0.000 1.377 781 S CA 1.788 60.059 58.200 0.119 0.000 2.456 781 S CB -0.418 62.856 63.200 0.123 0.000 0.574 781 S HN 0.586 nan 8.310 nan 0.000 0.352 782 F N 0.626 120.587 119.950 0.018 0.000 2.421 782 F HA 0.426 4.955 4.527 0.003 0.000 0.270 782 F C 2.070 177.880 175.800 0.017 0.000 0.894 782 F CA 0.683 58.694 58.000 0.018 0.000 1.128 782 F CB -0.663 38.346 39.000 0.014 0.000 1.011 782 F HN 0.376 nan 8.300 nan 0.000 0.788 783 G N 1.214 109.935 108.800 -0.131 0.000 2.471 783 G HA2 -0.066 3.896 3.960 0.003 0.000 0.219 783 G HA3 -0.066 3.896 3.960 0.003 0.000 0.219 783 G C 0.560 175.371 174.900 -0.148 0.000 1.125 783 G CA 0.160 45.120 45.100 -0.234 0.000 0.775 783 G HN 0.271 nan 8.290 nan 0.000 0.548 784 E N 1.143 121.304 120.200 -0.066 0.000 2.437 784 E HA 0.097 4.449 4.350 0.003 0.000 0.263 784 E C 0.104 176.675 176.600 -0.049 0.000 1.030 784 E CA 0.284 56.664 56.400 -0.033 0.000 0.934 784 E CB 0.766 30.472 29.700 0.010 0.000 0.943 784 E HN 0.459 nan 8.360 nan 0.000 0.444 785 E N 0.548 120.732 120.200 -0.026 0.000 2.319 785 E HA 0.376 4.728 4.350 0.003 0.000 0.268 785 E C -0.666 175.944 176.600 0.017 0.000 1.050 785 E CA -0.563 55.825 56.400 -0.019 0.000 0.878 785 E CB 1.477 31.166 29.700 -0.018 0.000 1.066 785 E HN 0.097 nan 8.360 nan 0.000 0.406 786 V N 1.718 121.645 119.914 0.022 0.000 2.888 786 V HA 0.213 4.335 4.120 0.003 0.000 0.309 786 V C -0.543 175.577 176.094 0.044 0.000 1.114 786 V CA -0.882 61.447 62.300 0.050 0.000 0.940 786 V CB 2.033 33.884 31.823 0.047 0.000 1.021 786 V HN 0.632 nan 8.190 nan 0.000 0.426 787 E N 1.662 121.891 120.200 0.048 0.000 2.227 787 E HA 0.623 4.975 4.350 0.003 0.000 0.282 787 E C -1.393 175.219 176.600 0.020 0.000 1.015 787 E CA -0.369 56.024 56.400 -0.012 0.000 0.823 787 E CB 1.974 31.567 29.700 -0.178 0.000 1.081 787 E HN 0.490 nan 8.360 nan 0.000 0.396 788 V N 4.671 124.633 119.914 0.079 0.000 2.444 788 V HA 0.235 4.357 4.120 0.003 0.000 0.294 788 V C -0.465 175.758 176.094 0.215 0.000 1.022 788 V CA -0.698 61.676 62.300 0.124 0.000 0.850 788 V CB 1.334 33.197 31.823 0.065 0.000 0.992 788 V HN 0.704 nan 8.190 nan 0.000 0.426 789 H N 3.924 122.995 119.070 0.002 0.000 2.483 789 H HA 0.552 5.110 4.556 0.003 0.000 0.338 789 H C -0.674 174.819 175.328 0.275 0.000 1.152 789 H CA -0.783 55.308 56.048 0.073 0.000 1.264 789 H CB 1.918 31.674 29.762 -0.010 0.000 1.510 789 H HN 0.577 nan 8.280 nan 0.000 0.530 790 N N 1.231 120.119 118.700 0.313 0.000 2.416 790 N HA 0.169 4.911 4.740 0.003 0.000 0.276 790 N C -1.617 174.037 175.510 0.239 0.000 1.261 790 N CA -0.749 52.429 53.050 0.215 0.000 0.790 790 N CB 3.100 41.595 38.487 0.013 0.000 1.554 790 N HN 0.248 nan 8.380 nan 0.000 0.481 791 L N 2.059 123.336 121.223 0.089 0.000 2.318 791 L HA 0.519 4.861 4.340 0.003 0.000 0.277 791 L C -1.239 175.512 176.870 -0.198 0.000 1.008 791 L CA -0.382 54.438 54.840 -0.033 0.000 0.846 791 L CB 0.320 42.280 42.059 -0.165 0.000 1.220 791 L HN 0.400 nan 8.230 nan 0.000 0.423 792 L N 4.845 125.967 121.223 -0.168 0.000 2.421 792 L HA 0.513 4.855 4.340 0.003 0.000 0.263 792 L C -0.312 176.406 176.870 -0.254 0.000 1.122 792 L CA -0.666 54.065 54.840 -0.182 0.000 0.804 792 L CB 1.117 43.114 42.059 -0.104 0.000 1.150 792 L HN 0.437 nan 8.230 nan 0.000 0.457 793 I N 3.280 123.707 120.570 -0.239 0.000 2.466 793 I HA 0.345 4.517 4.170 0.003 0.000 0.279 793 I C -0.369 175.636 176.117 -0.186 0.000 1.033 793 I CA -0.297 60.807 61.300 -0.326 0.000 1.123 793 I CB 1.413 39.105 38.000 -0.513 0.000 1.237 793 I HN 0.389 nan 8.210 nan 0.000 0.460 794 I N 4.541 125.059 120.570 -0.087 0.000 2.392 794 I HA 0.201 4.373 4.170 0.003 0.000 0.295 794 I C 0.472 176.558 176.117 -0.051 0.000 0.985 794 I CA -0.302 60.991 61.300 -0.012 0.000 1.221 794 I CB 1.322 39.379 38.000 0.095 0.000 1.366 794 I HN 0.453 nan 8.210 nan 0.000 0.467 795 D N 3.618 123.962 120.400 -0.092 0.000 2.390 795 D HA 0.005 4.647 4.640 0.003 0.000 0.249 795 D C 1.162 177.223 176.300 -0.398 0.000 1.144 795 D CA 0.086 53.994 54.000 -0.152 0.000 0.880 795 D CB 0.891 41.658 40.800 -0.055 0.000 1.182 795 D HN 0.607 nan 8.370 nan 0.000 0.451 796 Q N 3.153 122.722 119.800 -0.385 0.000 2.152 796 Q HA -0.283 4.059 4.340 0.003 0.000 0.206 796 Q C 0.658 176.278 176.000 -0.632 0.000 0.985 796 Q CA 1.515 57.003 55.803 -0.524 0.000 0.863 796 Q CB 0.066 28.517 28.738 -0.478 0.000 0.904 796 Q HN 0.688 nan 8.270 nan 0.000 0.422 797 H N -0.680 118.277 119.070 -0.188 0.000 2.388 797 H HA 0.043 4.601 4.556 0.003 0.000 0.304 797 H C 2.257 177.624 175.328 0.065 0.000 1.049 797 H CA 1.881 57.917 56.048 -0.020 0.000 1.371 797 H CB -0.175 29.599 29.762 0.019 0.000 1.436 797 H HN 0.538 nan 8.280 nan 0.000 0.544 798 T N -2.272 112.366 114.554 0.139 0.000 3.057 798 T HA 0.001 4.353 4.350 0.003 0.000 0.254 798 T C 0.684 175.544 174.700 0.266 0.000 1.094 798 T CA -0.020 62.195 62.100 0.191 0.000 1.088 798 T CB -0.375 68.572 68.868 0.132 0.000 0.934 798 T HN 0.201 nan 8.240 nan 0.000 0.497 799 F N 2.001 122.015 119.950 0.107 0.000 3.034 799 F HA -0.199 4.330 4.527 0.004 0.000 0.286 799 F C 0.446 176.282 175.800 0.060 0.000 0.804 799 F CA 0.694 58.743 58.000 0.082 0.000 1.161 799 F CB -2.158 36.870 39.000 0.046 0.000 1.317 799 F HN 0.548 nan 8.300 nan 0.000 0.453 800 E N -0.653 119.624 120.200 0.129 0.000 2.319 800 E HA 0.528 4.880 4.350 0.003 0.000 0.268 800 E C -0.116 176.523 176.600 0.064 0.000 1.050 800 E CA -0.907 55.556 56.400 0.104 0.000 0.878 800 E CB 1.772 31.525 29.700 0.088 0.000 1.066 800 E HN 0.059 nan 8.360 nan 0.000 0.406 801 V N 4.587 124.533 119.914 0.055 0.000 2.364 801 V HA -0.056 4.066 4.120 0.003 0.000 0.252 801 V C 1.412 177.519 176.094 0.021 0.000 1.075 801 V CA 0.154 62.466 62.300 0.020 0.000 1.033 801 V CB -0.861 30.968 31.823 0.010 0.000 1.116 801 V HN 0.741 nan 8.190 nan 0.000 0.488 802 L N 2.480 123.709 121.223 0.011 0.000 1.989 802 L HA -0.072 4.270 4.340 0.003 0.000 0.211 802 L C 1.068 178.024 176.870 0.143 0.000 1.071 802 L CA 1.660 56.541 54.840 0.067 0.000 0.749 802 L CB -0.265 41.814 42.059 0.033 0.000 0.890 802 L HN 0.740 nan 8.230 nan 0.000 0.431 803 H N -1.456 117.585 119.070 -0.048 0.000 2.894 803 H HA 0.667 5.225 4.556 0.003 0.000 0.367 803 H C -1.272 174.015 175.328 -0.069 0.000 1.144 803 H CA -0.581 55.462 56.048 -0.009 0.000 1.180 803 H CB 1.665 31.476 29.762 0.082 0.000 1.758 803 H HN 0.076 nan 8.280 nan 0.000 0.541 804 A N 3.341 125.773 122.820 -0.646 0.000 2.365 804 A HA 0.535 4.857 4.320 0.003 0.000 0.318 804 A C -1.603 175.588 177.584 -0.654 0.000 1.091 804 A CA -0.594 51.153 52.037 -0.482 0.000 0.763 804 A CB 0.863 19.710 19.000 -0.256 0.000 1.248 804 A HN 0.878 nan 8.150 nan 0.000 0.442 805 H N 0.868 119.628 119.070 -0.516 0.000 2.744 805 H HA 0.501 5.059 4.556 0.003 0.000 0.339 805 H C -0.449 174.626 175.328 -0.422 0.000 1.004 805 H CA -0.184 55.593 56.048 -0.452 0.000 1.257 805 H CB 1.192 30.662 29.762 -0.487 0.000 1.552 805 H HN 0.758 nan 8.280 nan 0.000 0.522 806 Q N 4.176 123.541 119.800 -0.725 0.000 2.259 806 Q HA 0.292 4.634 4.340 0.003 0.000 0.249 806 Q C -0.978 174.728 176.000 -0.491 0.000 0.914 806 Q CA -0.599 54.946 55.803 -0.429 0.000 0.904 806 Q CB 0.819 29.417 28.738 -0.234 0.000 1.213 806 Q HN 0.528 nan 8.270 nan 0.000 0.428 807 F N 1.571 121.544 119.950 0.038 0.000 2.408 807 F HA 0.332 4.861 4.527 0.003 0.000 0.325 807 F C 0.240 176.085 175.800 0.076 0.000 1.082 807 F CA -0.861 57.217 58.000 0.131 0.000 1.032 807 F CB 0.696 39.792 39.000 0.160 0.000 1.259 807 F HN 0.386 nan 8.300 nan 0.000 0.503 808 L N 1.269 122.681 121.223 0.315 0.000 2.554 808 L HA -0.079 4.263 4.340 0.003 0.000 0.293 808 L C 0.581 177.539 176.870 0.146 0.000 1.252 808 L CA 0.085 55.044 54.840 0.199 0.000 0.862 808 L CB -0.034 42.155 42.059 0.215 0.000 1.113 808 L HN 0.620 nan 8.230 nan 0.000 0.510 809 Q N 2.978 122.846 119.800 0.113 0.000 2.333 809 Q HA -0.106 4.236 4.340 0.003 0.000 0.299 809 Q C 0.500 176.542 176.000 0.070 0.000 1.067 809 Q CA 0.901 56.760 55.803 0.092 0.000 0.943 809 Q CB 0.148 28.943 28.738 0.095 0.000 1.233 809 Q HN 0.719 nan 8.270 nan 0.000 0.401 810 N N 0.880 119.612 118.700 0.053 0.000 2.936 810 N HA -0.249 4.493 4.740 0.003 0.000 0.236 810 N C -0.904 174.556 175.510 -0.083 0.000 0.930 810 N CA 0.954 54.001 53.050 -0.006 0.000 0.966 810 N CB -0.450 38.000 38.487 -0.062 0.000 1.090 810 N HN 0.741 nan 8.380 nan 0.000 0.592 811 E N 0.708 120.880 120.200 -0.046 0.000 2.130 811 E HA 0.169 4.521 4.350 0.003 0.000 0.284 811 E C -1.003 175.492 176.600 -0.175 0.000 1.018 811 E CA -0.383 55.953 56.400 -0.106 0.000 0.817 811 E CB 0.510 30.203 29.700 -0.013 0.000 1.078 811 E HN 0.148 nan 8.360 nan 0.000 0.396 812 Y N 2.122 122.070 120.300 -0.586 0.000 2.323 812 Y HA 0.461 5.013 4.550 0.003 0.000 0.331 812 Y C 0.396 176.019 175.900 -0.462 0.000 1.092 812 Y CA -1.376 56.188 58.100 -0.892 0.000 1.150 812 Y CB 1.726 39.839 38.460 -0.579 0.000 1.200 812 Y HN 0.568 nan 8.280 nan 0.000 0.472 813 A N 4.538 127.319 122.820 -0.065 0.000 2.274 813 A HA 0.502 4.824 4.320 0.003 0.000 0.309 813 A C -0.025 177.568 177.584 0.015 0.000 1.226 813 A CA -0.461 51.455 52.037 -0.201 0.000 0.853 813 A CB 0.314 19.055 19.000 -0.433 0.000 1.146 813 A HN 1.016 nan 8.150 nan 0.000 0.518 814 L N 1.880 123.085 121.223 -0.030 0.000 2.609 814 L HA 0.169 4.511 4.340 0.003 0.000 0.230 814 L C 0.728 177.626 176.870 0.047 0.000 1.064 814 L CA 0.497 55.353 54.840 0.027 0.000 0.873 814 L CB 0.212 42.259 42.059 -0.020 0.000 1.139 814 L HN 0.711 nan 8.230 nan 0.000 0.490 815 S N -0.031 115.688 115.700 0.032 0.000 2.542 815 S HA 0.761 5.232 4.470 0.003 0.000 0.293 815 S C -0.949 173.703 174.600 0.087 0.000 1.089 815 S CA -0.656 57.586 58.200 0.070 0.000 0.961 815 S CB 2.893 66.136 63.200 0.071 0.000 1.062 815 S HN 0.000 nan 8.310 nan 0.000 0.483 816 L N 1.552 122.845 121.223 0.116 0.000 2.303 816 L HA 0.974 5.316 4.340 0.003 0.000 0.256 816 L C -1.226 175.743 176.870 0.166 0.000 1.034 816 L CA -0.749 54.185 54.840 0.156 0.000 0.832 816 L CB 2.095 44.252 42.059 0.163 0.000 1.403 816 L HN 1.122 nan 8.230 nan 0.000 0.419 817 V N 0.782 120.819 119.914 0.205 0.000 2.872 817 V HA 0.479 4.601 4.120 0.003 0.000 0.257 817 V C -1.887 174.283 176.094 0.128 0.000 1.698 817 V CA 0.078 62.471 62.300 0.154 0.000 0.913 817 V CB 1.769 33.655 31.823 0.105 0.000 1.269 817 V HN 1.060 nan 8.190 nan 0.000 0.463 818 S N 6.273 121.989 115.700 0.027 0.000 2.449 818 S HA 0.969 5.441 4.470 0.003 0.000 0.310 818 S C -0.381 174.138 174.600 -0.135 0.000 1.096 818 S CA 0.351 58.437 58.200 -0.190 0.000 1.095 818 S CB 0.536 63.523 63.200 -0.355 0.000 1.007 818 S HN 2.489 nan 8.310 nan 0.000 0.474 819 C N 2.776 121.991 119.300 -0.142 0.000 3.165 819 C HA 0.590 5.052 4.460 0.003 0.000 0.345 819 C C -1.234 173.716 174.990 -0.067 0.000 1.367 819 C CA -1.200 57.763 59.018 -0.092 0.000 1.205 819 C CB 0.219 27.934 27.740 -0.041 0.000 1.447 819 C HN 0.850 nan 8.230 nan 0.000 0.451 820 K N 0.288 120.659 120.400 -0.048 0.000 2.210 820 K HA 0.950 5.272 4.320 0.003 0.000 0.236 820 K C -1.067 175.523 176.600 -0.017 0.000 1.016 820 K CA -0.560 55.720 56.287 -0.011 0.000 0.913 820 K CB 1.254 33.745 32.500 -0.015 0.000 1.141 820 K HN 0.640 nan 8.250 nan 0.000 0.462 821 L N -0.563 120.665 121.223 0.009 0.000 2.582 821 L HA 0.322 4.664 4.340 0.003 0.000 0.257 821 L C 0.507 177.487 176.870 0.184 0.000 0.974 821 L CA -0.725 54.119 54.840 0.008 0.000 0.851 821 L CB 1.916 43.830 42.059 -0.242 0.000 1.424 821 L HN 0.939 nan 8.230 nan 0.000 0.412 822 G N 1.338 110.258 108.800 0.200 0.000 2.632 822 G HA2 -0.373 3.589 3.960 0.003 0.000 0.322 822 G HA3 -0.373 3.589 3.960 0.003 0.000 0.322 822 G C 0.389 175.389 174.900 0.167 0.000 1.326 822 G CA 0.967 46.197 45.100 0.215 0.000 0.986 822 G HN 0.707 nan 8.290 nan 0.000 0.541 823 K N 0.785 121.284 120.400 0.165 0.000 2.374 823 K HA 0.212 4.534 4.320 0.003 0.000 0.196 823 K C 0.601 177.288 176.600 0.144 0.000 1.023 823 K CA 0.245 56.601 56.287 0.116 0.000 1.103 823 K CB 0.325 32.870 32.500 0.076 0.000 0.848 823 K HN 0.459 nan 8.250 nan 0.000 0.528 824 D N 1.292 121.839 120.400 0.246 0.000 2.472 824 D HA -0.022 4.620 4.640 0.003 0.000 0.248 824 D C -1.755 174.657 176.300 0.186 0.000 1.174 824 D CA -1.302 52.877 54.000 0.299 0.000 0.883 824 D CB 1.318 42.487 40.800 0.615 0.000 1.149 824 D HN -0.043 nan 8.370 nan 0.000 0.488 825 P HA -0.036 nan 4.420 nan 0.000 0.220 825 P C 0.015 177.298 177.300 -0.029 0.000 1.152 825 P CA 0.327 63.448 63.100 0.035 0.000 0.812 825 P CB 0.253 31.965 31.700 0.020 0.000 0.792 826 N N 0.056 118.716 118.700 -0.066 0.000 2.381 826 N HA 0.049 4.791 4.740 0.003 0.000 0.241 826 N C -0.021 175.228 175.510 -0.436 0.000 1.279 826 N CA 0.857 53.728 53.050 -0.299 0.000 0.896 826 N CB -0.160 38.035 38.487 -0.488 0.000 1.118 826 N HN -0.048 nan 8.380 nan 0.000 0.438 827 T N 1.896 116.156 114.554 -0.490 0.000 2.821 827 T HA 0.352 4.704 4.350 0.003 0.000 0.307 827 T C -0.292 174.114 174.700 -0.490 0.000 1.034 827 T CA -0.422 61.438 62.100 -0.400 0.000 0.953 827 T CB -0.160 68.529 68.868 -0.299 0.000 0.968 827 T HN 0.215 nan 8.240 nan 0.000 0.462 828 Y N 1.101 121.292 120.300 -0.181 0.000 2.408 828 Y HA 0.632 5.184 4.550 0.003 0.000 0.324 828 Y C 0.012 175.802 175.900 -0.185 0.000 1.302 828 Y CA -1.612 56.414 58.100 -0.125 0.000 1.384 828 Y CB 0.715 39.094 38.460 -0.134 0.000 1.367 828 Y HN 0.463 nan 8.280 nan 0.000 0.525 829 F N 1.554 121.648 119.950 0.241 0.000 2.427 829 F HA 0.501 5.030 4.527 0.003 0.000 0.348 829 F C -0.659 175.300 175.800 0.265 0.000 1.125 829 F CA -1.074 57.041 58.000 0.191 0.000 0.989 829 F CB 0.711 39.809 39.000 0.164 0.000 1.165 829 F HN 0.151 nan 8.300 nan 0.000 0.442 830 I N 4.844 125.626 120.570 0.354 0.000 2.404 830 I HA 0.512 4.684 4.170 0.003 0.000 0.293 830 I C -0.902 175.369 176.117 0.257 0.000 0.992 830 I CA -0.952 60.491 61.300 0.238 0.000 1.149 830 I CB 1.751 39.780 38.000 0.049 0.000 1.315 830 I HN 0.105 nan 8.210 nan 0.000 0.446 831 V N 4.411 124.498 119.914 0.289 0.000 2.555 831 V HA 0.700 4.822 4.120 0.003 0.000 0.302 831 V C 0.409 176.566 176.094 0.106 0.000 1.038 831 V CA -0.563 61.877 62.300 0.234 0.000 0.887 831 V CB 1.845 33.908 31.823 0.400 0.000 0.991 831 V HN 0.887 nan 8.190 nan 0.000 0.434 832 G N 1.909 110.730 108.800 0.035 0.000 2.388 832 G HA2 0.733 4.695 3.960 0.003 0.000 0.330 832 G HA3 0.733 4.695 3.960 0.003 0.000 0.330 832 G C -0.278 174.572 174.900 -0.084 0.000 1.142 832 G CA -0.040 45.051 45.100 -0.015 0.000 0.908 832 G HN 0.866 nan 8.290 nan 0.000 0.473 833 T N -2.000 112.489 114.554 -0.109 0.000 2.716 833 T HA 0.859 5.211 4.350 0.003 0.000 0.286 833 T C -0.519 174.059 174.700 -0.203 0.000 1.052 833 T CA -0.494 61.497 62.100 -0.181 0.000 1.024 833 T CB 1.977 70.725 68.868 -0.200 0.000 1.349 833 T HN 1.813 nan 8.240 nan 0.000 0.525 834 A N 0.561 123.229 122.820 -0.254 0.000 2.540 834 A HA 0.675 4.997 4.320 0.003 0.000 0.297 834 A C -1.140 176.199 177.584 -0.408 0.000 1.056 834 A CA -0.777 51.065 52.037 -0.325 0.000 0.700 834 A CB 1.561 20.329 19.000 -0.386 0.000 1.280 834 A HN 0.733 nan 8.150 nan 0.000 0.398 835 M N 2.517 121.826 119.600 -0.484 0.000 2.135 835 M HA 0.368 4.850 4.480 0.003 0.000 0.345 835 M C -0.685 175.122 176.300 -0.822 0.000 1.340 835 M CA -0.430 54.472 55.300 -0.664 0.000 1.162 835 M CB 0.620 32.787 32.600 -0.721 0.000 1.570 835 M HN 0.383 nan 8.290 nan 0.000 0.454 836 V N 6.664 126.050 119.914 -0.880 0.000 2.364 836 V HA 0.307 4.429 4.120 0.003 0.000 0.272 836 V C -0.921 174.735 176.094 -0.729 0.000 1.036 836 V CA -0.460 61.352 62.300 -0.813 0.000 0.880 836 V CB -0.014 31.144 31.823 -1.108 0.000 0.991 836 V HN 0.614 nan 8.190 nan 0.000 0.460 837 Y N 5.400 125.599 120.300 -0.168 0.000 2.331 837 Y HA 0.353 4.905 4.550 0.003 0.000 0.334 837 Y C -1.701 174.157 175.900 -0.070 0.000 0.960 837 Y CA -2.214 55.831 58.100 -0.092 0.000 1.130 837 Y CB 1.994 40.412 38.460 -0.071 0.000 1.164 837 Y HN 0.445 nan 8.280 nan 0.000 0.458 838 P HA -0.224 nan 4.420 nan 0.000 0.218 838 P C 1.009 178.343 177.300 0.056 0.000 1.146 838 P CA 1.553 64.687 63.100 0.055 0.000 0.813 838 P CB 0.376 32.113 31.700 0.061 0.000 0.778 839 E N -0.163 120.081 120.200 0.073 0.000 2.285 839 E HA -0.056 4.296 4.350 0.003 0.000 0.194 839 E C 0.360 176.987 176.600 0.045 0.000 0.997 839 E CA 0.767 57.195 56.400 0.047 0.000 0.845 839 E CB -0.539 29.177 29.700 0.027 0.000 0.782 839 E HN 0.418 nan 8.360 nan 0.000 0.491 840 E N 0.207 120.446 120.200 0.065 0.000 2.242 840 E HA 0.482 4.834 4.350 0.003 0.000 0.275 840 E C 0.245 176.865 176.600 0.032 0.000 1.002 840 E CA -0.027 56.404 56.400 0.052 0.000 0.841 840 E CB 1.644 31.390 29.700 0.076 0.000 1.109 840 E HN 0.088 nan 8.360 nan 0.000 0.394 841 A N 2.868 125.706 122.820 0.030 0.000 2.072 841 A HA -0.064 4.258 4.320 0.003 0.000 0.216 841 A C 0.484 178.086 177.584 0.030 0.000 1.156 841 A CA 0.881 52.937 52.037 0.031 0.000 0.701 841 A CB -0.138 18.883 19.000 0.035 0.000 0.816 841 A HN 0.690 nan 8.150 nan 0.000 0.458 842 E N -1.035 119.181 120.200 0.025 0.000 2.363 842 E HA 0.495 4.847 4.350 0.003 0.000 0.281 842 E C -3.216 173.381 176.600 -0.005 0.000 0.953 842 E CA -2.385 54.029 56.400 0.024 0.000 0.778 842 E CB 0.597 30.333 29.700 0.060 0.000 1.220 842 E HN -0.110 nan 8.360 nan 0.000 0.431 843 P HA -0.067 nan 4.420 nan 0.000 0.266 843 P C -0.336 176.942 177.300 -0.036 0.000 1.193 843 P CA 0.062 63.100 63.100 -0.102 0.000 0.770 843 P CB 0.486 32.063 31.700 -0.206 0.000 0.836 844 K N 0.939 121.331 120.400 -0.013 0.000 2.402 844 K HA 0.194 4.515 4.320 0.003 0.000 0.203 844 K C 0.014 176.641 176.600 0.043 0.000 1.077 844 K CA -0.183 56.122 56.287 0.031 0.000 1.051 844 K CB 0.579 33.113 32.500 0.056 0.000 0.907 844 K HN 0.403 nan 8.250 nan 0.000 0.554 845 Q N 0.123 119.911 119.800 -0.021 0.000 2.421 845 Q HA 0.705 5.047 4.340 0.003 0.000 0.280 845 Q C -0.734 175.172 176.000 -0.156 0.000 1.085 845 Q CA -1.313 54.479 55.803 -0.018 0.000 0.807 845 Q CB 2.562 31.229 28.738 -0.117 0.000 1.405 845 Q HN 0.236 nan 8.270 nan 0.000 0.419 846 G N 0.484 109.278 108.800 -0.010 0.000 2.349 846 G HA2 0.566 4.528 3.960 0.003 0.000 0.294 846 G HA3 0.566 4.528 3.960 0.003 0.000 0.294 846 G C -1.876 173.121 174.900 0.162 0.000 1.380 846 G CA -0.844 44.230 45.100 -0.043 0.000 0.811 846 G HN 0.668 nan 8.290 nan 0.000 0.519 847 R N -1.532 119.029 120.500 0.102 0.000 2.752 847 R HA 0.708 5.050 4.340 0.003 0.000 0.271 847 R C -1.710 174.610 176.300 0.033 0.000 1.026 847 R CA -0.954 55.215 56.100 0.114 0.000 0.901 847 R CB 1.313 31.732 30.300 0.198 0.000 1.243 847 R HN 0.420 nan 8.270 nan 0.000 0.463 848 I N 2.431 122.992 120.570 -0.014 0.000 2.405 848 I HA 0.270 4.442 4.170 0.003 0.000 0.280 848 I C -0.175 175.902 176.117 -0.066 0.000 1.027 848 I CA -0.926 60.338 61.300 -0.061 0.000 1.161 848 I CB 1.341 39.231 38.000 -0.183 0.000 1.300 848 I HN 0.377 nan 8.210 nan 0.000 0.463 849 V N 6.882 126.781 119.914 -0.025 0.000 2.509 849 V HA 0.376 4.498 4.120 0.003 0.000 0.284 849 V C 0.321 176.250 176.094 -0.274 0.000 1.047 849 V CA -0.657 61.533 62.300 -0.184 0.000 0.952 849 V CB 2.233 33.931 31.823 -0.209 0.000 0.988 849 V HN 0.360 nan 8.190 nan 0.000 0.469 850 V N 5.805 125.488 119.914 -0.384 0.000 2.334 850 V HA 0.491 4.613 4.120 0.003 0.000 0.281 850 V C -0.474 175.487 176.094 -0.222 0.000 1.016 850 V CA -0.281 61.862 62.300 -0.261 0.000 0.832 850 V CB 0.708 32.322 31.823 -0.348 0.000 0.999 850 V HN 0.652 nan 8.190 nan 0.000 0.439 851 F N 2.530 122.575 119.950 0.159 0.000 2.509 851 F HA 0.749 5.278 4.527 0.003 0.000 0.334 851 F C 0.276 176.283 175.800 0.345 0.000 1.060 851 F CA -0.817 57.308 58.000 0.209 0.000 0.997 851 F CB 1.301 40.388 39.000 0.146 0.000 1.271 851 F HN 0.394 nan 8.300 nan 0.000 0.488 852 Q N 0.177 120.281 119.800 0.506 0.000 2.345 852 Q HA 0.294 4.636 4.340 0.003 0.000 0.275 852 Q C -2.149 174.039 176.000 0.314 0.000 1.063 852 Q CA -0.710 55.288 55.803 0.325 0.000 0.819 852 Q CB 1.988 30.822 28.738 0.160 0.000 1.356 852 Q HN 0.759 nan 8.270 nan 0.000 0.418 853 Y N 2.785 123.163 120.300 0.131 0.000 2.631 853 Y HA 0.253 4.805 4.550 0.003 0.000 0.361 853 Y C 0.929 176.833 175.900 0.008 0.000 0.941 853 Y CA 0.009 58.160 58.100 0.086 0.000 1.327 853 Y CB 0.519 39.078 38.460 0.165 0.000 1.299 853 Y HN 0.813 nan 8.280 nan 0.000 0.578 854 S N 0.690 116.321 115.700 -0.115 0.000 2.420 854 S HA -0.148 4.324 4.470 0.003 0.000 0.237 854 S C 0.362 174.822 174.600 -0.233 0.000 1.023 854 S CA 2.128 60.240 58.200 -0.146 0.000 0.991 854 S CB -0.255 62.880 63.200 -0.108 0.000 0.792 854 S HN 0.868 nan 8.310 nan 0.000 0.488 855 D N -4.565 115.567 120.400 -0.447 0.000 2.972 855 D HA 0.385 5.027 4.640 0.003 0.000 0.294 855 D C 0.808 176.713 176.300 -0.659 0.000 1.211 855 D CA 0.422 54.133 54.000 -0.482 0.000 0.732 855 D CB -0.305 40.355 40.800 -0.234 0.000 1.257 855 D HN 0.147 nan 8.370 nan 0.000 0.435 856 G N 0.918 109.459 108.800 -0.432 0.000 3.410 856 G HA2 -0.376 3.586 3.960 0.003 0.000 0.391 856 G HA3 -0.376 3.586 3.960 0.003 0.000 0.391 856 G C 0.470 175.197 174.900 -0.287 0.000 2.137 856 G CA 2.253 47.195 45.100 -0.262 0.000 2.420 856 G HN 0.916 nan 8.290 nan 0.000 0.917 857 K N -0.885 119.291 120.400 -0.373 0.000 2.378 857 K HA 0.802 5.124 4.320 0.003 0.000 0.244 857 K C -0.479 175.930 176.600 -0.319 0.000 1.039 857 K CA -1.292 54.798 56.287 -0.328 0.000 0.863 857 K CB 1.628 33.969 32.500 -0.264 0.000 1.326 857 K HN 0.209 nan 8.250 nan 0.000 0.460 858 L N 1.154 122.167 121.223 -0.351 0.000 2.375 858 L HA 0.268 4.610 4.340 0.003 0.000 0.271 858 L C -0.461 176.446 176.870 0.062 0.000 1.107 858 L CA -0.462 54.387 54.840 0.015 0.000 0.806 858 L CB 1.566 43.705 42.059 0.133 0.000 1.146 858 L HN 0.755 nan 8.230 nan 0.000 0.447 859 Q N 0.953 120.857 119.800 0.173 0.000 2.310 859 Q HA 0.256 4.598 4.340 0.003 0.000 0.270 859 Q C -1.047 175.086 176.000 0.221 0.000 1.025 859 Q CA -0.569 55.330 55.803 0.160 0.000 0.772 859 Q CB 1.845 30.646 28.738 0.105 0.000 1.253 859 Q HN 0.536 nan 8.270 nan 0.000 0.450 860 T N 4.103 118.750 114.554 0.155 0.000 3.455 860 T HA 0.066 4.418 4.350 0.003 0.000 0.286 860 T C 1.335 176.033 174.700 -0.003 0.000 1.157 860 T CA -0.148 61.953 62.100 0.002 0.000 1.090 860 T CB 0.063 68.917 68.868 -0.025 0.000 1.112 860 T HN 0.477 nan 8.240 nan 0.000 0.779 861 V N 1.565 121.509 119.914 0.051 0.000 2.233 861 V HA -0.064 4.058 4.120 0.003 0.000 0.247 861 V C 1.443 177.569 176.094 0.054 0.000 1.050 861 V CA 1.945 64.308 62.300 0.105 0.000 1.010 861 V CB -0.575 31.388 31.823 0.233 0.000 0.637 861 V HN 0.876 nan 8.190 nan 0.000 0.444 862 A N -1.460 121.361 122.820 0.002 0.000 2.524 862 A HA 0.795 5.117 4.320 0.003 0.000 0.286 862 A C -0.746 176.799 177.584 -0.064 0.000 1.203 862 A CA -0.516 51.530 52.037 0.015 0.000 0.736 862 A CB 2.170 21.275 19.000 0.175 0.000 1.322 862 A HN 0.264 nan 8.150 nan 0.000 0.424 863 E N -0.664 119.517 120.200 -0.032 0.000 2.372 863 E HA 0.540 4.892 4.350 0.003 0.000 0.279 863 E C -1.933 174.649 176.600 -0.031 0.000 0.946 863 E CA -0.599 55.774 56.400 -0.046 0.000 0.769 863 E CB 1.990 31.669 29.700 -0.034 0.000 1.230 863 E HN 0.461 nan 8.360 nan 0.000 0.442 864 K N 2.583 122.959 120.400 -0.039 0.000 2.615 864 K HA 0.213 4.535 4.320 0.003 0.000 0.249 864 K C -1.304 175.296 176.600 -0.001 0.000 0.977 864 K CA -0.462 55.802 56.287 -0.040 0.000 0.833 864 K CB 1.525 33.946 32.500 -0.132 0.000 1.208 864 K HN 0.488 nan 8.250 nan 0.000 0.443 865 E N 2.310 122.523 120.200 0.022 0.000 2.404 865 E HA 0.361 4.713 4.350 0.003 0.000 0.261 865 E C -1.068 175.606 176.600 0.123 0.000 1.074 865 E CA -0.428 56.012 56.400 0.067 0.000 0.917 865 E CB 0.861 30.561 29.700 -0.001 0.000 0.965 865 E HN 0.345 nan 8.360 nan 0.000 0.433 866 V N 2.910 122.931 119.914 0.180 0.000 3.012 866 V HA 0.141 4.263 4.120 0.003 0.000 0.307 866 V C -1.224 174.975 176.094 0.175 0.000 1.166 866 V CA -0.936 61.465 62.300 0.168 0.000 0.974 866 V CB 2.162 34.065 31.823 0.134 0.000 1.040 866 V HN 0.724 nan 8.190 nan 0.000 0.428 867 K N 2.297 122.781 120.400 0.141 0.000 3.101 867 K HA 0.748 5.070 4.320 0.003 0.000 0.229 867 K C 0.116 176.761 176.600 0.076 0.000 1.232 867 K CA 0.063 56.422 56.287 0.119 0.000 1.210 867 K CB 0.612 33.176 32.500 0.106 0.000 1.284 867 K HN 1.008 nan 8.250 nan 0.000 0.448 868 G N -1.007 107.818 108.800 0.042 0.000 2.315 868 G HA2 0.471 4.433 3.960 0.003 0.000 0.294 868 G HA3 0.471 4.433 3.960 0.003 0.000 0.294 868 G C -1.617 173.230 174.900 -0.088 0.000 1.300 868 G CA -0.571 44.525 45.100 -0.008 0.000 0.843 868 G HN 0.302 nan 8.290 nan 0.000 0.527 869 A N -0.708 121.998 122.820 -0.191 0.000 2.401 869 A HA 0.582 4.904 4.320 0.003 0.000 0.259 869 A C 0.258 177.629 177.584 -0.355 0.000 1.103 869 A CA -0.189 51.585 52.037 -0.438 0.000 0.789 869 A CB 0.778 19.205 19.000 -0.955 0.000 1.035 869 A HN 1.460 nan 8.150 nan 0.000 0.491 870 V N 4.738 124.485 119.914 -0.278 0.000 2.218 870 V HA 0.078 4.200 4.120 0.003 0.000 0.261 870 V C 0.283 176.315 176.094 -0.102 0.000 1.142 870 V CA 0.036 62.276 62.300 -0.099 0.000 0.965 870 V CB -1.380 30.420 31.823 -0.037 0.000 1.190 870 V HN 0.958 nan 8.190 nan 0.000 0.478 871 Y N 1.472 121.757 120.300 -0.025 0.000 2.200 871 Y HA -0.047 4.505 4.550 0.003 0.000 0.290 871 Y C 1.679 177.558 175.900 -0.036 0.000 1.137 871 Y CA 1.572 59.643 58.100 -0.049 0.000 1.163 871 Y CB 0.300 38.696 38.460 -0.107 0.000 0.988 871 Y HN 0.557 nan 8.280 nan 0.000 0.518 872 S N 0.010 115.798 115.700 0.146 0.000 2.546 872 S HA 0.734 5.206 4.470 0.003 0.000 0.274 872 S C -1.045 173.604 174.600 0.082 0.000 1.121 872 S CA -0.898 57.360 58.200 0.096 0.000 0.887 872 S CB 0.952 64.191 63.200 0.065 0.000 1.094 872 S HN 0.209 nan 8.310 nan 0.000 0.474 873 M N 2.897 122.546 119.600 0.081 0.000 2.414 873 M HA 0.789 5.271 4.480 0.003 0.000 0.287 873 M C -1.871 174.477 176.300 0.079 0.000 1.181 873 M CA -0.917 54.428 55.300 0.075 0.000 0.933 873 M CB 1.634 34.277 32.600 0.073 0.000 1.732 873 M HN 0.558 nan 8.290 nan 0.000 0.486 874 V N 0.682 120.641 119.914 0.074 0.000 3.012 874 V HA 0.514 4.636 4.120 0.003 0.000 0.307 874 V C -1.020 175.142 176.094 0.113 0.000 1.166 874 V CA -0.296 62.060 62.300 0.092 0.000 0.974 874 V CB 2.211 34.092 31.823 0.097 0.000 1.040 874 V HN 1.065 nan 8.190 nan 0.000 0.428 875 E N 3.873 124.141 120.200 0.112 0.000 2.384 875 E HA 0.161 4.513 4.350 0.003 0.000 0.266 875 E C -1.888 174.839 176.600 0.212 0.000 1.012 875 E CA 0.064 56.534 56.400 0.116 0.000 0.901 875 E CB 0.911 30.649 29.700 0.064 0.000 0.967 875 E HN 0.641 nan 8.360 nan 0.000 0.435 876 F N 5.793 125.741 119.950 -0.004 0.000 2.828 876 F HA 0.240 4.769 4.527 0.003 0.000 0.355 876 F C -0.154 175.626 175.800 -0.034 0.000 1.200 876 F CA -0.861 57.128 58.000 -0.019 0.000 1.062 876 F CB 0.381 39.360 39.000 -0.036 0.000 1.351 876 F HN 0.524 nan 8.300 nan 0.000 0.504 877 N N 4.305 122.809 118.700 -0.328 0.000 2.707 877 N HA -0.236 4.506 4.740 0.003 0.000 0.253 877 N C 1.164 176.606 175.510 -0.113 0.000 0.998 877 N CA 1.571 54.450 53.050 -0.286 0.000 0.751 877 N CB -0.839 37.358 38.487 -0.483 0.000 0.920 877 N HN 1.296 nan 8.380 nan 0.000 0.539 878 G N -1.565 107.213 108.800 -0.036 0.000 2.284 878 G HA2 -0.351 3.611 3.960 0.003 0.000 0.247 878 G HA3 -0.351 3.611 3.960 0.003 0.000 0.247 878 G C 0.314 175.246 174.900 0.055 0.000 1.012 878 G CA 0.962 46.071 45.100 0.015 0.000 0.618 878 G HN 0.522 nan 8.290 nan 0.000 0.521 879 K N -0.483 119.959 120.400 0.069 0.000 2.399 879 K HA 0.753 5.075 4.320 0.003 0.000 0.247 879 K C -0.651 176.036 176.600 0.144 0.000 1.036 879 K CA -0.746 55.613 56.287 0.121 0.000 0.977 879 K CB 1.445 34.018 32.500 0.122 0.000 1.272 879 K HN 0.347 nan 8.250 nan 0.000 0.501 880 L N 1.785 123.104 121.223 0.160 0.000 2.343 880 L HA 0.350 4.692 4.340 0.003 0.000 0.278 880 L C -1.447 175.528 176.870 0.175 0.000 0.996 880 L CA -0.705 54.219 54.840 0.141 0.000 0.831 880 L CB 1.234 43.344 42.059 0.086 0.000 1.232 880 L HN 0.397 nan 8.230 nan 0.000 0.413 881 L N 5.318 126.611 121.223 0.116 0.000 2.334 881 L HA 0.939 5.281 4.340 0.003 0.000 0.277 881 L C -0.343 176.573 176.870 0.078 0.000 1.075 881 L CA 0.286 55.146 54.840 0.033 0.000 0.804 881 L CB 1.320 43.286 42.059 -0.154 0.000 1.174 881 L HN 0.882 nan 8.230 nan 0.000 0.438 882 A N 2.343 125.224 122.820 0.101 0.000 2.604 882 A HA 0.738 5.060 4.320 0.003 0.000 0.295 882 A C -1.175 176.474 177.584 0.107 0.000 1.067 882 A CA -0.256 51.854 52.037 0.122 0.000 0.683 882 A CB 1.401 20.519 19.000 0.197 0.000 1.281 882 A HN 0.744 nan 8.150 nan 0.000 0.407 883 S N 0.684 116.443 115.700 0.097 0.000 2.454 883 S HA 0.701 5.173 4.470 0.003 0.000 0.306 883 S C 0.099 174.789 174.600 0.150 0.000 1.100 883 S CA -0.500 57.762 58.200 0.103 0.000 1.087 883 S CB 1.190 64.431 63.200 0.068 0.000 1.019 883 S HN 0.494 nan 8.310 nan 0.000 0.480 884 I N 1.958 122.623 120.570 0.159 0.000 2.962 884 I HA 0.257 4.429 4.170 0.003 0.000 0.246 884 I C 1.582 177.819 176.117 0.200 0.000 1.091 884 I CA 0.746 62.136 61.300 0.150 0.000 1.469 884 I CB -0.053 38.034 38.000 0.145 0.000 1.324 884 I HN 0.632 nan 8.210 nan 0.000 0.461 885 N N -1.791 117.032 118.700 0.205 0.000 3.342 885 N HA 0.093 4.835 4.740 0.003 0.000 0.211 885 N C 1.111 176.718 175.510 0.162 0.000 1.380 885 N CA 0.686 53.883 53.050 0.245 0.000 1.192 885 N CB 0.028 38.612 38.487 0.163 0.000 1.060 885 N HN -0.045 nan 8.380 nan 0.000 0.743 886 S N -0.265 115.515 115.700 0.134 0.000 2.556 886 S HA 0.296 4.768 4.470 0.003 0.000 0.216 886 S C -0.404 174.293 174.600 0.162 0.000 0.970 886 S CA 0.024 58.291 58.200 0.111 0.000 0.912 886 S CB -0.268 62.986 63.200 0.089 0.000 0.790 886 S HN 0.360 nan 8.310 nan 0.000 0.504 887 T N 1.114 115.777 114.554 0.180 0.000 2.912 887 T HA 0.600 4.952 4.350 0.003 0.000 0.288 887 T C -0.992 173.776 174.700 0.113 0.000 1.030 887 T CA -0.503 61.706 62.100 0.182 0.000 1.020 887 T CB 1.893 70.910 68.868 0.250 0.000 1.056 887 T HN -0.079 nan 8.240 nan 0.000 0.480 888 V N 2.625 122.587 119.914 0.079 0.000 2.378 888 V HA 0.596 4.718 4.120 0.003 0.000 0.288 888 V C -0.030 176.133 176.094 0.114 0.000 1.016 888 V CA -0.761 61.558 62.300 0.031 0.000 0.840 888 V CB 1.381 33.136 31.823 -0.114 0.000 0.994 888 V HN 0.734 nan 8.190 nan 0.000 0.431 889 R N 4.082 124.638 120.500 0.093 0.000 2.740 889 R HA 0.769 5.111 4.340 0.003 0.000 0.282 889 R C -1.749 174.582 176.300 0.051 0.000 0.969 889 R CA -0.746 55.376 56.100 0.036 0.000 0.918 889 R CB 1.772 31.977 30.300 -0.159 0.000 1.175 889 R HN 0.554 nan 8.270 nan 0.000 0.464 890 L N 4.283 125.493 121.223 -0.021 0.000 2.319 890 L HA 0.448 4.790 4.340 0.003 0.000 0.281 890 L C -1.715 175.087 176.870 -0.112 0.000 1.005 890 L CA -0.304 54.546 54.840 0.016 0.000 0.828 890 L CB 1.005 43.100 42.059 0.060 0.000 1.227 890 L HN 0.619 nan 8.230 nan 0.000 0.415 891 Y N 2.727 123.059 120.300 0.054 0.000 2.387 891 Y HA 0.513 5.065 4.550 0.003 0.000 0.330 891 Y C 0.348 176.298 175.900 0.083 0.000 1.133 891 Y CA -0.463 57.675 58.100 0.064 0.000 1.152 891 Y CB 1.469 39.974 38.460 0.075 0.000 1.215 891 Y HN 0.522 nan 8.280 nan 0.000 0.466 892 E N 1.817 122.175 120.200 0.264 0.000 2.222 892 E HA 0.137 4.489 4.350 0.003 0.000 0.267 892 E C -1.398 175.389 176.600 0.311 0.000 0.963 892 E CA -0.863 55.669 56.400 0.221 0.000 0.837 892 E CB 2.024 31.807 29.700 0.138 0.000 1.183 892 E HN 0.635 nan 8.360 nan 0.000 0.403 893 W N 4.055 125.376 121.300 0.036 0.000 2.362 893 W HA 0.157 4.820 4.660 0.004 0.000 0.316 893 W C -0.188 176.334 176.519 0.004 0.000 1.024 893 W CA -0.711 56.634 57.345 0.001 0.000 1.270 893 W CB 1.324 30.773 29.460 -0.018 0.000 1.273 893 W HN 0.625 nan 8.180 nan 0.000 0.424 894 T N 0.624 115.026 114.554 -0.253 0.000 2.698 894 T HA 0.059 4.411 4.350 0.003 0.000 0.295 894 T C 1.423 175.873 174.700 -0.416 0.000 1.007 894 T CA 0.703 62.641 62.100 -0.270 0.000 0.980 894 T CB 1.141 69.868 68.868 -0.235 0.000 1.036 894 T HN 0.442 nan 8.240 nan 0.000 0.526 895 T N -2.769 111.640 114.554 -0.243 0.000 3.088 895 T HA 0.130 4.482 4.350 0.003 0.000 0.259 895 T C 1.359 175.916 174.700 -0.237 0.000 1.122 895 T CA 0.451 62.434 62.100 -0.194 0.000 1.095 895 T CB -0.226 68.585 68.868 -0.094 0.000 0.930 895 T HN 0.624 nan 8.240 nan 0.000 0.508 896 E N 1.466 121.496 120.200 -0.282 0.000 2.465 896 E HA 0.193 4.545 4.350 0.003 0.000 0.191 896 E C -0.161 176.205 176.600 -0.390 0.000 1.053 896 E CA -0.139 56.110 56.400 -0.252 0.000 0.869 896 E CB -0.428 29.160 29.700 -0.186 0.000 0.977 896 E HN 0.375 nan 8.360 nan 0.000 0.483 897 K N 1.573 121.550 120.400 -0.704 0.000 3.619 897 K HA -0.164 4.158 4.320 0.003 0.000 0.275 897 K C -1.195 174.720 176.600 -1.143 0.000 0.993 897 K CA 0.792 56.308 56.287 -1.284 0.000 0.787 897 K CB -1.212 30.922 32.500 -0.609 0.000 1.431 897 K HN 0.163 nan 8.250 nan 0.000 0.451 898 D N -0.240 119.575 120.400 -0.976 0.000 2.645 898 D HA 0.384 5.026 4.640 0.003 0.000 0.228 898 D C -0.464 175.822 176.300 -0.023 0.000 1.148 898 D CA -0.573 53.228 54.000 -0.332 0.000 0.860 898 D CB 1.962 42.653 40.800 -0.182 0.000 1.548 898 D HN 0.023 nan 8.370 nan 0.000 0.460 899 V N -0.430 119.608 119.914 0.206 0.000 2.394 899 V HA 0.790 4.912 4.120 0.003 0.000 0.282 899 V C -0.238 176.013 176.094 0.263 0.000 1.031 899 V CA -0.793 61.677 62.300 0.284 0.000 0.881 899 V CB 1.071 32.936 31.823 0.071 0.000 0.982 899 V HN 0.591 nan 8.190 nan 0.000 0.451 900 R N 1.830 122.519 120.500 0.316 0.000 2.561 900 R HA 0.610 4.952 4.340 0.003 0.000 0.297 900 R C -0.427 176.003 176.300 0.218 0.000 0.969 900 R CA -0.479 55.783 56.100 0.269 0.000 0.879 900 R CB 1.379 31.749 30.300 0.117 0.000 1.178 900 R HN 0.575 nan 8.270 nan 0.000 0.445 901 T N 2.890 117.490 114.554 0.077 0.000 2.905 901 T HA -0.064 4.288 4.350 0.003 0.000 0.299 901 T C 0.522 175.143 174.700 -0.132 0.000 1.024 901 T CA 0.584 62.546 62.100 -0.230 0.000 1.151 901 T CB 0.416 69.160 68.868 -0.207 0.000 0.987 901 T HN 0.767 nan 8.240 nan 0.000 0.535 902 E N 2.007 122.100 120.200 -0.178 0.000 3.515 902 E HA 0.286 4.638 4.350 0.003 0.000 0.347 902 E C 0.814 177.289 176.600 -0.208 0.000 0.651 902 E CA -0.537 55.786 56.400 -0.129 0.000 1.581 902 E CB -0.156 29.503 29.700 -0.067 0.000 2.413 902 E HN 0.721 nan 8.360 nan 0.000 0.520 903 C N 0.205 119.314 119.300 -0.319 0.000 2.345 903 C HA 0.705 5.167 4.460 0.003 0.000 0.369 903 C C -0.300 174.401 174.990 -0.482 0.000 1.273 903 C CA -0.804 57.945 59.018 -0.449 0.000 2.310 903 C CB -0.274 27.052 27.740 -0.689 0.000 2.219 903 C HN 0.577 nan 8.230 nan 0.000 0.587 904 N N -1.165 117.292 118.700 -0.405 0.000 2.647 904 N HA 0.555 5.297 4.740 0.003 0.000 0.266 904 N C -1.434 173.983 175.510 -0.156 0.000 1.373 904 N CA -0.620 52.267 53.050 -0.272 0.000 0.807 904 N CB 1.041 39.196 38.487 -0.553 0.000 1.513 904 N HN 0.974 nan 8.380 nan 0.000 0.505 905 H N 0.438 119.365 119.070 -0.239 0.000 2.759 905 H HA 0.269 4.827 4.556 0.003 0.000 0.354 905 H C -1.143 174.001 175.328 -0.306 0.000 1.074 905 H CA -0.390 55.563 56.048 -0.158 0.000 1.226 905 H CB 0.819 30.591 29.762 0.016 0.000 1.648 905 H HN 0.811 nan 8.280 nan 0.000 0.529 906 Y N 2.533 122.555 120.300 -0.463 0.000 2.500 906 Y HA 0.154 4.706 4.550 0.003 0.000 0.246 906 Y C 1.167 176.888 175.900 -0.299 0.000 1.146 906 Y CA -0.266 57.680 58.100 -0.256 0.000 1.230 906 Y CB 0.705 39.082 38.460 -0.138 0.000 1.214 906 Y HN 0.519 nan 8.280 nan 0.000 0.526 907 N N 2.597 121.004 118.700 -0.488 0.000 3.050 907 N HA 0.077 4.819 4.740 0.003 0.000 0.289 907 N C -1.164 174.386 175.510 0.065 0.000 1.209 907 N CA -0.002 52.961 53.050 -0.145 0.000 1.154 907 N CB -0.175 38.239 38.487 -0.121 0.000 1.444 907 N HN 0.272 nan 8.380 nan 0.000 0.529 908 N N 1.513 120.241 118.700 0.047 0.000 2.708 908 N HA 0.213 4.955 4.740 0.003 0.000 0.257 908 N C 0.437 175.948 175.510 0.002 0.000 1.373 908 N CA -0.589 52.481 53.050 0.035 0.000 0.843 908 N CB 1.211 39.737 38.487 0.066 0.000 1.503 908 N HN -0.010 nan 8.380 nan 0.000 0.504 909 I N -0.067 120.483 120.570 -0.034 0.000 2.385 909 I HA 0.214 4.386 4.170 0.003 0.000 0.244 909 I C 0.688 176.788 176.117 -0.028 0.000 1.089 909 I CA 1.250 62.527 61.300 -0.039 0.000 1.410 909 I CB -0.005 37.948 38.000 -0.078 0.000 1.117 909 I HN 0.557 nan 8.210 nan 0.000 0.429 910 M N 0.492 120.056 119.600 -0.061 0.000 2.272 910 M HA 0.460 4.942 4.480 0.003 0.000 0.240 910 M C -1.358 174.843 176.300 -0.165 0.000 0.991 910 M CA -0.337 54.903 55.300 -0.101 0.000 1.008 910 M CB 1.542 34.057 32.600 -0.141 0.000 2.221 910 M HN 0.024 nan 8.290 nan 0.000 0.469 911 A N 5.509 128.258 122.820 -0.119 0.000 2.666 911 A HA 0.418 4.740 4.320 0.003 0.000 0.301 911 A C 0.413 177.845 177.584 -0.254 0.000 1.470 911 A CA -0.331 51.630 52.037 -0.127 0.000 1.159 911 A CB -0.428 18.550 19.000 -0.037 0.000 1.116 911 A HN 1.030 nan 8.150 nan 0.000 0.548 912 L N 1.469 122.423 121.223 -0.448 0.000 2.168 912 L HA 0.099 4.441 4.340 0.003 0.000 0.203 912 L C 0.022 176.418 176.870 -0.790 0.000 1.078 912 L CA 0.658 55.002 54.840 -0.827 0.000 0.780 912 L CB -0.412 40.836 42.059 -1.352 0.000 0.939 912 L HN 0.681 nan 8.230 nan 0.000 0.451 913 Y N -0.314 119.974 120.300 -0.021 0.000 2.446 913 Y HA 0.657 5.209 4.550 0.004 0.000 0.338 913 Y C -0.522 175.374 175.900 -0.006 0.000 1.055 913 Y CA -1.076 57.030 58.100 0.009 0.000 1.101 913 Y CB 1.569 40.039 38.460 0.016 0.000 1.221 913 Y HN -0.227 nan 8.280 nan 0.000 0.460 914 L N 3.522 124.838 121.223 0.154 0.000 2.436 914 L HA 0.578 4.920 4.340 0.003 0.000 0.268 914 L C -1.096 175.828 176.870 0.091 0.000 0.974 914 L CA -0.983 53.896 54.840 0.066 0.000 0.826 914 L CB 1.903 43.972 42.059 0.017 0.000 1.291 914 L HN 0.552 nan 8.230 nan 0.000 0.406 915 K N 1.786 122.226 120.400 0.067 0.000 2.502 915 K HA 0.782 5.104 4.320 0.003 0.000 0.257 915 K C -1.178 175.483 176.600 0.103 0.000 0.938 915 K CA -0.699 55.653 56.287 0.108 0.000 0.819 915 K CB 2.539 35.122 32.500 0.138 0.000 1.333 915 K HN 0.514 nan 8.250 nan 0.000 0.434 916 T N 1.513 116.158 114.554 0.152 0.000 2.907 916 T HA 0.515 4.867 4.350 0.003 0.000 0.292 916 T C -1.175 173.650 174.700 0.209 0.000 1.043 916 T CA -0.719 61.512 62.100 0.219 0.000 1.003 916 T CB 1.864 70.932 68.868 0.333 0.000 1.084 916 T HN 0.473 nan 8.240 nan 0.000 0.483 917 K N 1.677 122.230 120.400 0.255 0.000 2.690 917 K HA 0.491 4.813 4.320 0.003 0.000 0.264 917 K C 0.357 177.112 176.600 0.257 0.000 1.040 917 K CA 0.114 56.514 56.287 0.189 0.000 0.946 917 K CB 0.565 33.157 32.500 0.154 0.000 1.268 917 K HN 0.949 nan 8.250 nan 0.000 0.473 918 G N 3.466 112.355 108.800 0.147 0.000 2.527 918 G HA2 -0.278 3.684 3.960 0.003 0.000 0.268 918 G HA3 -0.278 3.684 3.960 0.003 0.000 0.268 918 G C -0.017 174.929 174.900 0.077 0.000 1.175 918 G CA 0.318 45.489 45.100 0.118 0.000 0.962 918 G HN 0.683 nan 8.290 nan 0.000 0.560 919 D N 0.699 121.150 120.400 0.085 0.000 2.342 919 D HA 0.320 4.962 4.640 0.003 0.000 0.221 919 D C 0.399 176.751 176.300 0.087 0.000 1.101 919 D CA 0.277 54.343 54.000 0.109 0.000 0.837 919 D CB -0.016 40.779 40.800 -0.008 0.000 0.938 919 D HN 0.165 nan 8.370 nan 0.000 0.508 920 F N 0.438 120.553 119.950 0.274 0.000 2.397 920 F HA 0.468 4.997 4.527 0.004 0.000 0.331 920 F C 0.646 176.523 175.800 0.128 0.000 1.090 920 F CA -0.633 57.467 58.000 0.166 0.000 1.065 920 F CB 1.532 40.612 39.000 0.133 0.000 1.184 920 F HN -0.338 nan 8.300 nan 0.000 0.499 921 I N 3.285 123.933 120.570 0.129 0.000 2.569 921 I HA 0.288 4.460 4.170 0.003 0.000 0.290 921 I C -1.526 174.510 176.117 -0.136 0.000 1.088 921 I CA -0.906 60.353 61.300 -0.068 0.000 1.047 921 I CB 2.269 40.068 38.000 -0.336 0.000 1.237 921 I HN 0.296 nan 8.210 nan 0.000 0.421 922 L N 7.904 129.061 121.223 -0.111 0.000 2.280 922 L HA 0.570 4.912 4.340 0.003 0.000 0.287 922 L C -0.797 175.998 176.870 -0.125 0.000 1.023 922 L CA -0.347 54.396 54.840 -0.162 0.000 0.819 922 L CB 1.472 43.481 42.059 -0.084 0.000 1.212 922 L HN 0.286 nan 8.230 nan 0.000 0.420 923 V N 4.299 124.115 119.914 -0.163 0.000 2.398 923 V HA 0.715 4.837 4.120 0.003 0.000 0.286 923 V C 0.626 176.702 176.094 -0.030 0.000 1.026 923 V CA -0.454 61.778 62.300 -0.112 0.000 0.868 923 V CB 1.297 33.007 31.823 -0.189 0.000 0.982 923 V HN 0.880 nan 8.190 nan 0.000 0.443 924 G N 2.881 111.729 108.800 0.079 0.000 2.437 924 G HA2 0.523 4.485 3.960 0.003 0.000 0.315 924 G HA3 0.523 4.485 3.960 0.003 0.000 0.315 924 G C -1.008 173.991 174.900 0.165 0.000 1.210 924 G CA -0.234 44.998 45.100 0.219 0.000 0.943 924 G HN 0.659 nan 8.290 nan 0.000 0.471 925 D N 2.515 122.961 120.400 0.076 0.000 2.228 925 D HA 0.153 4.795 4.640 0.003 0.000 0.247 925 D C 1.421 177.724 176.300 0.005 0.000 0.995 925 D CA -0.833 53.156 54.000 -0.018 0.000 0.903 925 D CB 2.283 43.045 40.800 -0.063 0.000 1.205 925 D HN 0.130 nan 8.370 nan 0.000 0.459 926 L N 2.848 124.040 121.223 -0.051 0.000 2.021 926 L HA -0.192 4.150 4.340 0.003 0.000 0.215 926 L C 1.799 178.584 176.870 -0.142 0.000 1.074 926 L CA 2.464 57.309 54.840 0.007 0.000 0.760 926 L CB -0.334 41.720 42.059 -0.009 0.000 0.889 926 L HN 0.735 nan 8.230 nan 0.000 0.433 927 M N -4.060 115.309 119.600 -0.385 0.000 2.314 927 M HA 0.319 4.801 4.480 0.003 0.000 0.383 927 M C 0.641 176.654 176.300 -0.477 0.000 0.984 927 M CA 0.100 54.943 55.300 -0.763 0.000 0.982 927 M CB 0.537 32.351 32.600 -1.309 0.000 1.745 927 M HN -0.064 nan 8.290 nan 0.000 0.600 928 R N 2.280 122.612 120.500 -0.279 0.000 2.696 928 R HA 0.348 4.690 4.340 0.003 0.000 0.355 928 R C 0.445 176.646 176.300 -0.166 0.000 1.138 928 R CA 0.474 56.440 56.100 -0.223 0.000 1.059 928 R CB 0.503 30.690 30.300 -0.188 0.000 1.380 928 R HN 0.668 nan 8.270 nan 0.000 0.578 929 S N -0.356 115.272 115.700 -0.119 0.000 2.687 929 S HA -0.233 4.238 4.470 0.003 0.000 0.632 929 S C 0.614 175.218 174.600 0.006 0.000 3.257 929 S CA 0.373 58.572 58.200 -0.001 0.000 3.509 929 S CB -1.150 62.038 63.200 -0.020 0.000 0.332 929 S HN 0.367 nan 8.310 nan 0.000 1.770 930 V N 0.001 119.956 119.914 0.068 0.000 3.003 930 V HA 0.785 4.907 4.120 0.003 0.000 0.305 930 V C 0.289 176.313 176.094 -0.116 0.000 1.078 930 V CA -0.174 62.118 62.300 -0.014 0.000 1.083 930 V CB 0.977 32.808 31.823 0.013 0.000 1.039 930 V HN 1.244 nan 8.190 nan 0.000 0.481 931 L N 3.779 124.895 121.223 -0.178 0.000 2.472 931 L HA 0.674 5.016 4.340 0.003 0.000 0.260 931 L C -1.630 175.068 176.870 -0.287 0.000 0.963 931 L CA -0.944 53.762 54.840 -0.223 0.000 0.829 931 L CB 2.053 43.985 42.059 -0.211 0.000 1.348 931 L HN 0.848 nan 8.230 nan 0.000 0.408 932 L N 4.785 125.840 121.223 -0.279 0.000 2.305 932 L HA 0.619 4.961 4.340 0.003 0.000 0.284 932 L C -1.326 175.447 176.870 -0.162 0.000 1.013 932 L CA -0.053 54.618 54.840 -0.282 0.000 0.819 932 L CB 1.404 43.262 42.059 -0.334 0.000 1.227 932 L HN 0.565 nan 8.230 nan 0.000 0.417 933 L N 4.420 125.534 121.223 -0.181 0.000 2.322 933 L HA 0.952 5.294 4.340 0.003 0.000 0.269 933 L C -0.332 176.495 176.870 -0.071 0.000 1.012 933 L CA -0.890 53.840 54.840 -0.184 0.000 0.815 933 L CB 1.894 43.698 42.059 -0.425 0.000 1.295 933 L HN 0.751 nan 8.230 nan 0.000 0.438 934 A N 0.902 123.690 122.820 -0.053 0.000 2.422 934 A HA 0.493 4.815 4.320 0.003 0.000 0.302 934 A C -1.698 175.935 177.584 0.082 0.000 1.041 934 A CA -0.405 51.566 52.037 -0.111 0.000 0.708 934 A CB 1.135 19.982 19.000 -0.255 0.000 1.257 934 A HN 0.555 nan 8.150 nan 0.000 0.414 935 Y N 2.241 122.572 120.300 0.053 0.000 2.436 935 Y HA 0.406 4.958 4.550 0.003 0.000 0.343 935 Y C 0.163 176.111 175.900 0.079 0.000 1.008 935 Y CA 0.019 58.254 58.100 0.224 0.000 1.241 935 Y CB 0.650 39.359 38.460 0.414 0.000 1.153 935 Y HN 0.557 nan 8.280 nan 0.000 0.521 936 K N 9.371 129.532 120.400 -0.398 0.000 2.250 936 K HA 0.189 4.511 4.320 0.003 0.000 0.280 936 K C -2.036 174.095 176.600 -0.783 0.000 1.098 936 K CA -1.720 54.309 56.287 -0.430 0.000 0.916 936 K CB 1.143 33.510 32.500 -0.221 0.000 1.209 936 K HN 0.506 nan 8.250 nan 0.000 0.461 937 P HA -0.230 nan 4.420 nan 0.000 0.208 937 P C 1.136 178.263 177.300 -0.288 0.000 1.180 937 P CA 1.596 64.376 63.100 -0.533 0.000 0.935 937 P CB 0.140 31.737 31.700 -0.173 0.000 0.785 938 M N -1.142 118.352 119.600 -0.176 0.000 2.116 938 M HA -0.240 4.242 4.480 0.003 0.000 0.255 938 M C 2.085 178.317 176.300 -0.113 0.000 1.075 938 M CA 1.778 57.013 55.300 -0.108 0.000 1.087 938 M CB -0.971 31.580 32.600 -0.081 0.000 1.340 938 M HN -0.016 nan 8.290 nan 0.000 0.402 939 E N -0.240 119.868 120.200 -0.154 0.000 2.150 939 E HA -0.075 4.277 4.350 0.003 0.000 0.193 939 E C 1.518 178.042 176.600 -0.126 0.000 0.985 939 E CA 1.227 57.551 56.400 -0.128 0.000 0.814 939 E CB -0.082 29.540 29.700 -0.129 0.000 0.752 939 E HN 0.680 nan 8.360 nan 0.000 0.466 940 G N 2.113 110.808 108.800 -0.175 0.000 2.132 940 G HA2 -0.256 3.706 3.960 0.003 0.000 0.234 940 G HA3 -0.256 3.706 3.960 0.003 0.000 0.234 940 G C 0.214 175.052 174.900 -0.103 0.000 0.989 940 G CA 0.676 45.723 45.100 -0.087 0.000 0.676 940 G HN 0.438 nan 8.290 nan 0.000 0.522 941 N N -0.898 117.698 118.700 -0.174 0.000 3.522 941 N HA 0.663 5.405 4.740 0.003 0.000 0.328 941 N C -0.738 174.683 175.510 -0.147 0.000 1.623 941 N CA -1.114 51.775 53.050 -0.269 0.000 0.812 941 N CB 0.655 39.015 38.487 -0.212 0.000 2.008 941 N HN 0.082 nan 8.380 nan 0.000 0.601 942 F N -0.443 119.531 119.950 0.040 0.000 2.440 942 F HA 0.490 5.019 4.527 0.003 0.000 0.328 942 F C 0.645 176.452 175.800 0.011 0.000 1.070 942 F CA -0.763 57.257 58.000 0.033 0.000 1.011 942 F CB 1.872 40.885 39.000 0.022 0.000 1.226 942 F HN 0.407 nan 8.300 nan 0.000 0.491 943 E N 1.310 121.637 120.200 0.213 0.000 2.275 943 E HA 0.186 4.538 4.350 0.003 0.000 0.270 943 E C -1.488 175.158 176.600 0.076 0.000 0.882 943 E CA -0.658 55.811 56.400 0.114 0.000 0.758 943 E CB 1.650 31.385 29.700 0.058 0.000 1.195 943 E HN 0.636 nan 8.360 nan 0.000 0.419 944 E N 4.734 124.983 120.200 0.082 0.000 2.217 944 E HA 0.075 4.427 4.350 0.003 0.000 0.279 944 E C 0.841 177.476 176.600 0.058 0.000 1.068 944 E CA -0.272 56.155 56.400 0.045 0.000 0.882 944 E CB 0.769 30.516 29.700 0.079 0.000 1.039 944 E HN 0.486 nan 8.360 nan 0.000 0.418 945 I N 2.059 122.660 120.570 0.053 0.000 2.339 945 I HA 0.101 4.273 4.170 0.003 0.000 0.245 945 I C 0.901 177.075 176.117 0.096 0.000 1.096 945 I CA 0.861 62.221 61.300 0.100 0.000 1.408 945 I CB -0.785 37.318 38.000 0.172 0.000 1.092 945 I HN 0.443 nan 8.210 nan 0.000 0.423 946 A N 0.710 123.562 122.820 0.053 0.000 2.569 946 A HA 0.687 5.009 4.320 0.003 0.000 0.292 946 A C -0.660 176.912 177.584 -0.021 0.000 1.032 946 A CA -0.762 51.323 52.037 0.079 0.000 0.669 946 A CB 1.338 20.410 19.000 0.121 0.000 1.290 946 A HN 0.287 nan 8.150 nan 0.000 0.422 947 R N 0.543 121.024 120.500 -0.033 0.000 2.799 947 R HA 0.712 5.054 4.340 0.003 0.000 0.270 947 R C -1.561 174.621 176.300 -0.197 0.000 1.010 947 R CA -0.748 55.234 56.100 -0.196 0.000 0.916 947 R CB 1.425 31.506 30.300 -0.365 0.000 1.228 947 R HN 0.549 nan 8.270 nan 0.000 0.469 948 D N 1.144 121.430 120.400 -0.190 0.000 2.317 948 D HA 0.108 4.750 4.640 0.003 0.000 0.252 948 D C -0.246 175.891 176.300 -0.272 0.000 1.174 948 D CA -0.381 53.558 54.000 -0.102 0.000 0.866 948 D CB 0.551 41.334 40.800 -0.028 0.000 1.127 948 D HN 0.521 nan 8.370 nan 0.000 0.467 949 F N 1.952 121.784 119.950 -0.195 0.000 2.797 949 F HA 0.119 4.648 4.527 0.003 0.000 0.302 949 F C 0.940 176.642 175.800 -0.163 0.000 1.130 949 F CA -0.207 57.669 58.000 -0.207 0.000 1.387 949 F CB 0.006 38.828 39.000 -0.297 0.000 1.107 949 F HN 0.148 nan 8.300 nan 0.000 0.577 950 N N 1.638 120.298 118.700 -0.066 0.000 2.438 950 N HA 0.219 4.961 4.740 0.003 0.000 0.282 950 N C -2.670 172.738 175.510 -0.169 0.000 1.037 950 N CA -1.442 51.538 53.050 -0.118 0.000 0.942 950 N CB 1.001 39.378 38.487 -0.185 0.000 1.136 950 N HN -0.158 nan 8.380 nan 0.000 0.481 951 P HA 0.191 nan 4.420 nan 0.000 0.271 951 P C -0.742 176.444 177.300 -0.190 0.000 1.216 951 P CA 0.030 63.014 63.100 -0.193 0.000 0.771 951 P CB 0.622 32.218 31.700 -0.174 0.000 0.864 952 N N 2.074 120.644 118.700 -0.218 0.000 2.455 952 N HA 0.105 4.847 4.740 0.003 0.000 0.285 952 N C -1.461 174.008 175.510 -0.067 0.000 1.080 952 N CA -0.378 52.612 53.050 -0.099 0.000 0.932 952 N CB 0.960 39.391 38.487 -0.095 0.000 1.610 952 N HN 0.331 nan 8.380 nan 0.000 0.493 953 W N 3.455 124.764 121.300 0.016 0.000 2.581 953 W HA 0.266 4.928 4.660 0.003 0.000 0.359 953 W C 0.710 177.252 176.519 0.037 0.000 1.167 953 W CA -0.523 56.839 57.345 0.027 0.000 1.517 953 W CB 0.168 29.632 29.460 0.008 0.000 1.519 953 W HN 0.216 nan 8.180 nan 0.000 0.431 954 M N 1.977 121.722 119.600 0.242 0.000 2.157 954 M HA 0.114 4.596 4.480 0.003 0.000 0.304 954 M C 1.307 177.631 176.300 0.041 0.000 1.171 954 M CA 0.298 55.676 55.300 0.129 0.000 1.157 954 M CB 0.617 33.298 32.600 0.136 0.000 1.403 954 M HN 0.504 nan 8.290 nan 0.000 0.473 955 S N -1.716 113.778 115.700 -0.343 0.000 2.546 955 S HA 0.601 5.073 4.470 0.003 0.000 0.282 955 S C 0.032 174.091 174.600 -0.900 0.000 1.074 955 S CA 0.175 58.111 58.200 -0.441 0.000 1.254 955 S CB 0.429 63.273 63.200 -0.593 0.000 1.103 955 S HN 1.005 nan 8.310 nan 0.000 0.589 956 A N 0.151 122.439 122.820 -0.888 0.000 2.601 956 A HA 0.819 5.141 4.320 0.003 0.000 0.291 956 A C -1.628 175.796 177.584 -0.266 0.000 1.075 956 A CA -0.530 51.097 52.037 -0.683 0.000 0.671 956 A CB 1.471 20.073 19.000 -0.663 0.000 1.277 956 A HN 0.908 nan 8.150 nan 0.000 0.417 957 V N 0.053 119.989 119.914 0.037 0.000 3.147 957 V HA 0.844 4.966 4.120 0.003 0.000 0.299 957 V C -1.469 174.708 176.094 0.139 0.000 1.302 957 V CA -0.206 62.137 62.300 0.072 0.000 1.015 957 V CB 2.372 34.198 31.823 0.006 0.000 1.086 957 V HN 1.324 nan 8.190 nan 0.000 0.437 958 E N 2.248 122.419 120.200 -0.048 0.000 2.401 958 E HA 0.549 4.901 4.350 0.003 0.000 0.280 958 E C -1.924 174.676 176.600 -0.001 0.000 1.039 958 E CA -0.444 55.924 56.400 -0.054 0.000 0.814 958 E CB 1.812 31.315 29.700 -0.328 0.000 1.275 958 E HN 0.554 nan 8.360 nan 0.000 0.448 959 I N 4.895 125.540 120.570 0.125 0.000 2.330 959 I HA 0.230 4.402 4.170 0.003 0.000 0.289 959 I C 0.910 177.069 176.117 0.070 0.000 1.001 959 I CA -0.366 61.026 61.300 0.153 0.000 1.193 959 I CB 0.949 39.093 38.000 0.239 0.000 1.345 959 I HN 0.562 nan 8.210 nan 0.000 0.461 960 L N 4.885 126.034 121.223 -0.123 0.000 2.240 960 L HA 0.016 4.358 4.340 0.003 0.000 0.211 960 L C -0.011 176.810 176.870 -0.081 0.000 1.106 960 L CA 0.752 55.528 54.840 -0.106 0.000 0.793 960 L CB -0.391 41.541 42.059 -0.212 0.000 0.927 960 L HN 0.770 nan 8.230 nan 0.000 0.446 961 D N -4.972 115.312 120.400 -0.194 0.000 2.890 961 D HA -0.034 4.608 4.640 0.003 0.000 0.306 961 D C -0.109 176.023 176.300 -0.280 0.000 1.280 961 D CA -0.580 53.312 54.000 -0.179 0.000 0.742 961 D CB 0.024 40.727 40.800 -0.161 0.000 1.266 961 D HN -0.302 nan 8.370 nan 0.000 0.433 962 D N -0.505 119.768 120.400 -0.213 0.000 2.191 962 D HA -0.157 4.485 4.640 0.003 0.000 0.195 962 D C 0.436 176.519 176.300 -0.361 0.000 1.003 962 D CA 1.679 55.528 54.000 -0.251 0.000 0.867 962 D CB -0.034 40.646 40.800 -0.200 0.000 0.926 962 D HN 0.415 nan 8.370 nan 0.000 0.450 963 D N -0.537 119.613 120.400 -0.416 0.000 2.392 963 D HA 0.070 4.712 4.640 0.003 0.000 0.206 963 D C 0.149 175.982 176.300 -0.779 0.000 1.046 963 D CA 0.108 53.840 54.000 -0.447 0.000 0.865 963 D CB 0.324 40.968 40.800 -0.260 0.000 0.969 963 D HN 0.137 nan 8.370 nan 0.000 0.509 964 N N 0.610 118.734 118.700 -0.959 0.000 2.342 964 N HA 0.315 5.057 4.740 0.003 0.000 0.293 964 N C -1.113 173.713 175.510 -1.139 0.000 1.026 964 N CA -0.353 52.156 53.050 -0.902 0.000 0.857 964 N CB 1.785 39.979 38.487 -0.488 0.000 1.256 964 N HN -0.146 nan 8.380 nan 0.000 0.484 965 F N 1.130 121.000 119.950 -0.134 0.000 2.493 965 F HA 0.432 4.961 4.527 0.004 0.000 0.329 965 F C 0.298 175.957 175.800 -0.234 0.000 1.126 965 F CA -0.846 57.061 58.000 -0.155 0.000 0.937 965 F CB 1.805 40.739 39.000 -0.109 0.000 1.146 965 F HN 0.095 nan 8.300 nan 0.000 0.442 966 L N 2.802 123.901 121.223 -0.207 0.000 2.307 966 L HA 0.846 5.188 4.340 0.003 0.000 0.282 966 L C -0.059 176.500 176.870 -0.520 0.000 1.051 966 L CA -0.172 54.423 54.840 -0.409 0.000 0.804 966 L CB 1.291 43.000 42.059 -0.583 0.000 1.197 966 L HN 0.850 nan 8.230 nan 0.000 0.431 967 G N 2.857 111.191 108.800 -0.777 0.000 2.571 967 G HA2 0.707 4.669 3.960 0.003 0.000 0.304 967 G HA3 0.707 4.669 3.960 0.003 0.000 0.304 967 G C -1.657 172.952 174.900 -0.485 0.000 1.314 967 G CA -0.426 44.194 45.100 -0.800 0.000 0.975 967 G HN 0.819 nan 8.290 nan 0.000 0.485 968 A N 1.206 123.937 122.820 -0.149 0.000 2.331 968 A HA 0.788 5.110 4.320 0.003 0.000 0.320 968 A C -0.102 177.396 177.584 -0.145 0.000 1.138 968 A CA -0.626 51.319 52.037 -0.155 0.000 0.790 968 A CB 1.639 20.440 19.000 -0.333 0.000 1.206 968 A HN 0.705 nan 8.150 nan 0.000 0.470 969 E N 2.054 122.204 120.200 -0.084 0.000 2.281 969 E HA 0.143 4.494 4.350 0.003 0.000 0.262 969 E C -0.254 176.179 176.600 -0.279 0.000 0.933 969 E CA -0.633 55.740 56.400 -0.046 0.000 0.809 969 E CB 1.044 30.846 29.700 0.170 0.000 1.242 969 E HN 0.631 nan 8.360 nan 0.000 0.418 970 N N 1.329 119.925 118.700 -0.173 0.000 2.627 970 N HA -0.038 4.704 4.740 0.003 0.000 0.196 970 N C 0.225 175.417 175.510 -0.531 0.000 1.268 970 N CA 0.804 53.726 53.050 -0.214 0.000 0.904 970 N CB -0.072 38.432 38.487 0.029 0.000 1.016 970 N HN 0.386 nan 8.380 nan 0.000 0.448 971 A N -0.692 121.759 122.820 -0.614 0.000 2.594 971 A HA 0.439 4.761 4.320 0.003 0.000 0.287 971 A C -0.285 176.843 177.584 -0.761 0.000 1.227 971 A CA -0.719 50.852 52.037 -0.775 0.000 0.952 971 A CB -0.670 18.110 19.000 -0.366 0.000 1.161 971 A HN 0.214 nan 8.150 nan 0.000 0.524 972 F N -1.151 118.715 119.950 -0.139 0.000 2.999 972 F HA -0.199 4.330 4.527 0.004 0.000 0.291 972 F C 0.039 175.552 175.800 -0.479 0.000 0.824 972 F CA 0.250 58.083 58.000 -0.279 0.000 1.255 972 F CB -2.262 36.595 39.000 -0.238 0.000 1.333 972 F HN 0.365 nan 8.300 nan 0.000 0.502 973 N N 1.207 119.713 118.700 -0.324 0.000 2.335 973 N HA 0.813 5.555 4.740 0.003 0.000 0.304 973 N C -0.479 174.988 175.510 -0.072 0.000 1.135 973 N CA -0.621 52.246 53.050 -0.305 0.000 0.817 973 N CB 2.374 40.476 38.487 -0.643 0.000 1.294 973 N HN 0.105 nan 8.380 nan 0.000 0.497 974 L N 1.265 122.490 121.223 0.003 0.000 2.330 974 L HA 0.665 5.007 4.340 0.003 0.000 0.271 974 L C -0.798 176.267 176.870 0.325 0.000 1.013 974 L CA -0.967 53.880 54.840 0.011 0.000 0.816 974 L CB 1.138 43.033 42.059 -0.273 0.000 1.287 974 L HN 0.589 nan 8.230 nan 0.000 0.435 975 F N 0.116 120.173 119.950 0.178 0.000 2.693 975 F HA 0.799 5.328 4.527 0.003 0.000 0.309 975 F C -1.656 174.268 175.800 0.206 0.000 1.129 975 F CA -1.034 57.131 58.000 0.274 0.000 0.948 975 F CB 1.326 40.443 39.000 0.195 0.000 1.315 975 F HN 0.007 nan 8.300 nan 0.000 0.447 976 V N 1.405 121.518 119.914 0.332 0.000 2.588 976 V HA 0.554 4.676 4.120 0.003 0.000 0.304 976 V C -0.814 175.369 176.094 0.149 0.000 1.042 976 V CA -0.697 61.654 62.300 0.084 0.000 0.877 976 V CB 1.602 33.364 31.823 -0.101 0.000 0.996 976 V HN 1.116 nan 8.190 nan 0.000 0.425 977 C N 3.882 123.270 119.300 0.147 0.000 2.456 977 C HA 0.745 5.207 4.460 0.003 0.000 0.325 977 C C -0.071 174.987 174.990 0.114 0.000 1.217 977 C CA -0.561 58.569 59.018 0.186 0.000 1.687 977 C CB 1.329 29.245 27.740 0.295 0.000 2.270 977 C HN 0.941 nan 8.230 nan 0.000 0.499 978 Q N 1.199 121.042 119.800 0.072 0.000 2.423 978 Q HA 0.382 4.724 4.340 0.003 0.000 0.278 978 Q C -1.145 174.902 176.000 0.078 0.000 1.097 978 Q CA -0.610 55.187 55.803 -0.011 0.000 0.809 978 Q CB 1.443 30.116 28.738 -0.108 0.000 1.391 978 Q HN 0.635 nan 8.270 nan 0.000 0.428 979 K N 2.379 122.824 120.400 0.074 0.000 2.316 979 K HA 0.077 4.399 4.320 0.003 0.000 0.289 979 K C -0.511 176.108 176.600 0.031 0.000 1.070 979 K CA -0.354 55.990 56.287 0.095 0.000 0.928 979 K CB 0.533 33.087 32.500 0.092 0.000 1.039 979 K HN 0.535 nan 8.250 nan 0.000 0.480 980 D N 1.284 121.710 120.400 0.043 0.000 2.515 980 D HA -0.109 4.533 4.640 0.003 0.000 0.232 980 D C 0.713 177.012 176.300 -0.003 0.000 1.157 980 D CA 0.665 54.672 54.000 0.012 0.000 0.871 980 D CB 1.103 41.913 40.800 0.017 0.000 1.200 980 D HN 0.436 nan 8.370 nan 0.000 0.466 981 S N 1.827 117.515 115.700 -0.019 0.000 2.501 981 S HA 0.080 4.552 4.470 0.003 0.000 0.220 981 S C 0.990 175.581 174.600 -0.014 0.000 0.997 981 S CA 0.348 58.536 58.200 -0.021 0.000 0.919 981 S CB 0.037 63.218 63.200 -0.030 0.000 0.778 981 S HN 0.538 nan 8.310 nan 0.000 0.523 982 A N 1.347 124.157 122.820 -0.016 0.000 3.004 982 A HA 0.585 4.907 4.320 0.003 0.000 0.252 982 A C 1.176 178.752 177.584 -0.013 0.000 1.802 982 A CA 0.400 52.426 52.037 -0.017 0.000 1.424 982 A CB -1.037 17.948 19.000 -0.026 0.000 1.005 982 A HN 0.549 nan 8.150 nan 0.000 0.631 983 A N 0.668 123.485 122.820 -0.005 0.000 2.207 983 A HA 0.111 4.433 4.320 0.003 0.000 0.205 983 A C 1.763 179.346 177.584 -0.000 0.000 1.310 983 A CA 1.248 53.287 52.037 0.003 0.000 0.926 983 A CB -1.014 17.992 19.000 0.009 0.000 0.778 983 A HN 0.899 nan 8.150 nan 0.000 0.497 984 T N -4.187 110.362 114.554 -0.009 0.000 3.144 984 T HA 0.280 4.632 4.350 0.003 0.000 0.249 984 T C 0.348 175.039 174.700 -0.015 0.000 1.089 984 T CA 0.553 62.646 62.100 -0.011 0.000 0.989 984 T CB -0.105 68.754 68.868 -0.014 0.000 0.992 984 T HN 0.177 nan 8.240 nan 0.000 0.540 985 T N 1.587 116.131 114.554 -0.017 0.000 3.097 985 T HA 0.226 4.578 4.350 0.003 0.000 0.332 985 T C -1.612 173.077 174.700 -0.019 0.000 1.269 985 T CA -0.836 61.250 62.100 -0.023 0.000 1.076 985 T CB 1.863 70.705 68.868 -0.043 0.000 1.209 985 T HN 0.027 nan 8.240 nan 0.000 0.474 986 D N 2.620 123.014 120.400 -0.009 0.000 2.608 986 D HA 0.238 4.880 4.640 0.003 0.000 0.224 986 D C 0.910 177.207 176.300 -0.005 0.000 1.123 986 D CA 0.469 54.473 54.000 0.006 0.000 1.030 986 D CB 0.700 41.510 40.800 0.017 0.000 1.093 986 D HN 0.799 nan 8.370 nan 0.000 0.497 987 E N 0.159 120.338 120.200 -0.034 0.000 1.637 987 E HA -0.073 4.279 4.350 0.003 0.000 0.219 987 E C 0.830 177.308 176.600 -0.204 0.000 1.053 987 E CA -0.122 56.220 56.400 -0.097 0.000 1.275 987 E CB -0.009 29.609 29.700 -0.137 0.000 4.322 987 E HN 0.031 nan 8.360 nan 0.000 0.847 988 E N 0.821 120.931 120.200 -0.151 0.000 2.152 988 E HA -0.046 4.306 4.350 0.003 0.000 0.192 988 E C 1.815 178.396 176.600 -0.033 0.000 0.983 988 E CA 0.870 57.184 56.400 -0.144 0.000 0.818 988 E CB 0.139 29.782 29.700 -0.093 0.000 0.758 988 E HN 0.156 nan 8.360 nan 0.000 0.467 989 R N 0.396 120.903 120.500 0.010 0.000 2.153 989 R HA -0.062 4.280 4.340 0.003 0.000 0.218 989 R C 2.143 178.516 176.300 0.121 0.000 1.072 989 R CA 0.657 56.794 56.100 0.062 0.000 0.990 989 R CB -0.074 30.261 30.300 0.058 0.000 0.889 989 R HN 0.014 nan 8.270 nan 0.000 0.452 990 Q N 0.016 119.902 119.800 0.143 0.000 2.226 990 Q HA -0.027 4.315 4.340 0.003 0.000 0.204 990 Q C -0.034 176.239 176.000 0.456 0.000 0.975 990 Q CA 1.285 57.248 55.803 0.267 0.000 0.866 990 Q CB 0.118 29.030 28.738 0.289 0.000 0.915 990 Q HN 0.487 nan 8.270 nan 0.000 0.440 991 H N -1.099 118.062 119.070 0.152 0.000 2.525 991 H HA 0.454 5.011 4.556 0.003 0.000 0.340 991 H C -0.985 174.429 175.328 0.144 0.000 1.168 991 H CA -1.169 55.003 56.048 0.208 0.000 1.247 991 H CB 1.156 30.959 29.762 0.068 0.000 1.568 991 H HN -0.051 nan 8.280 nan 0.000 0.536 992 L N 0.029 121.417 121.223 0.275 0.000 2.415 992 L HA 0.324 4.666 4.340 0.003 0.000 0.268 992 L C -0.403 176.561 176.870 0.157 0.000 0.984 992 L CA -0.882 54.070 54.840 0.186 0.000 0.853 992 L CB 1.317 43.484 42.059 0.180 0.000 1.215 992 L HN 0.507 nan 8.230 nan 0.000 0.419 993 Q N 1.799 121.669 119.800 0.117 0.000 2.330 993 Q HA 0.139 4.481 4.340 0.003 0.000 0.279 993 Q C -0.448 175.585 176.000 0.055 0.000 1.024 993 Q CA 0.427 56.273 55.803 0.072 0.000 0.900 993 Q CB 1.022 29.779 28.738 0.033 0.000 1.221 993 Q HN 0.572 nan 8.270 nan 0.000 0.396 994 E N 1.898 122.117 120.200 0.031 0.000 2.104 994 E HA 0.009 4.361 4.350 0.003 0.000 0.278 994 E C 0.560 177.164 176.600 0.006 0.000 1.127 994 E CA -0.123 56.296 56.400 0.031 0.000 0.897 994 E CB 0.579 30.241 29.700 -0.063 0.000 1.043 994 E HN 0.518 nan 8.360 nan 0.000 0.410 995 V N 0.741 120.655 119.914 -0.000 0.000 3.644 995 V HA 0.334 4.456 4.120 0.003 0.000 0.267 995 V C 0.692 176.746 176.094 -0.067 0.000 1.277 995 V CA 0.226 62.487 62.300 -0.065 0.000 1.096 995 V CB 0.652 32.388 31.823 -0.144 0.000 0.828 995 V HN 0.423 nan 8.190 nan 0.000 0.446 996 G N 0.728 109.544 108.800 0.027 0.000 2.643 996 G HA2 0.717 4.679 3.960 0.003 0.000 0.305 996 G HA3 0.717 4.679 3.960 0.003 0.000 0.305 996 G C -1.506 173.649 174.900 0.424 0.000 1.387 996 G CA -0.636 44.534 45.100 0.116 0.000 0.982 996 G HN 0.219 nan 8.290 nan 0.000 0.501 997 L N 1.781 123.320 121.223 0.527 0.000 2.436 997 L HA 0.695 5.037 4.340 0.003 0.000 0.268 997 L C -1.442 175.784 176.870 0.593 0.000 0.974 997 L CA -0.803 54.341 54.840 0.507 0.000 0.826 997 L CB 2.506 44.707 42.059 0.236 0.000 1.291 997 L HN 0.558 nan 8.230 nan 0.000 0.406 998 F N 1.744 121.812 119.950 0.196 0.000 2.622 998 F HA 0.355 4.884 4.527 0.003 0.000 0.318 998 F C -0.881 174.803 175.800 -0.193 0.000 1.135 998 F CA -0.598 57.333 58.000 -0.115 0.000 1.015 998 F CB 1.450 40.062 39.000 -0.646 0.000 1.275 998 F HN 0.497 nan 8.300 nan 0.000 0.457 999 H N 6.465 124.934 119.070 -1.002 0.000 2.652 999 H HA 0.373 4.931 4.556 0.003 0.000 0.298 999 H C 0.210 174.870 175.328 -1.114 0.000 1.076 999 H CA 0.034 55.550 56.048 -0.888 0.000 1.360 999 H CB 1.199 30.457 29.762 -0.841 0.000 1.421 999 H HN 0.839 nan 8.280 nan 0.000 0.464 1000 L N 3.919 124.620 121.223 -0.870 0.000 2.127 1000 L HA 0.122 4.464 4.340 0.003 0.000 0.203 1000 L C 1.419 177.966 176.870 -0.539 0.000 1.080 1000 L CA 1.145 55.695 54.840 -0.483 0.000 0.768 1000 L CB -0.166 41.757 42.059 -0.226 0.000 0.924 1000 L HN 1.083 nan 8.230 nan 0.000 0.444 1001 G N 0.286 108.624 108.800 -0.769 0.000 2.143 1001 G HA2 -0.215 3.747 3.960 0.003 0.000 0.248 1001 G HA3 -0.215 3.747 3.960 0.003 0.000 0.248 1001 G C -0.065 174.774 174.900 -0.101 0.000 0.991 1001 G CA 0.166 45.097 45.100 -0.281 0.000 0.689 1001 G HN 0.364 nan 8.290 nan 0.000 0.522 1002 E N -1.146 119.036 120.200 -0.030 0.000 2.292 1002 E HA 0.535 4.887 4.350 0.003 0.000 0.272 1002 E C -1.083 175.666 176.600 0.247 0.000 0.881 1002 E CA -1.025 55.428 56.400 0.088 0.000 0.754 1002 E CB 1.539 31.308 29.700 0.114 0.000 1.201 1002 E HN 0.152 nan 8.360 nan 0.000 0.425 1003 F N 2.904 122.989 119.950 0.226 0.000 2.404 1003 F HA 0.281 4.810 4.527 0.003 0.000 0.358 1003 F C -0.451 175.362 175.800 0.023 0.000 1.120 1003 F CA -0.515 57.618 58.000 0.222 0.000 1.144 1003 F CB 0.608 39.783 39.000 0.291 0.000 1.133 1003 F HN 0.081 nan 8.300 nan 0.000 0.495 1004 V N 7.457 127.071 119.914 -0.499 0.000 2.407 1004 V HA 0.198 4.320 4.120 0.003 0.000 0.278 1004 V C 0.381 176.211 176.094 -0.440 0.000 1.037 1004 V CA -0.571 61.472 62.300 -0.429 0.000 0.900 1004 V CB 1.273 32.683 31.823 -0.688 0.000 0.983 1004 V HN 0.788 nan 8.190 nan 0.000 0.459 1005 N N 2.418 121.016 118.700 -0.171 0.000 2.432 1005 N HA 0.123 4.865 4.740 0.003 0.000 0.174 1005 N C -0.015 175.399 175.510 -0.159 0.000 1.037 1005 N CA 0.688 53.696 53.050 -0.069 0.000 0.892 1005 N CB 1.603 40.140 38.487 0.083 0.000 1.049 1005 N HN 0.496 nan 8.380 nan 0.000 0.442 1006 V N 0.356 120.131 119.914 -0.231 0.000 2.888 1006 V HA 0.530 4.652 4.120 0.003 0.000 0.309 1006 V C -1.877 174.067 176.094 -0.249 0.000 1.114 1006 V CA -0.788 61.407 62.300 -0.174 0.000 0.940 1006 V CB 1.945 33.760 31.823 -0.012 0.000 1.021 1006 V HN -0.070 nan 8.190 nan 0.000 0.426 1007 F N 5.122 125.093 119.950 0.035 0.000 2.532 1007 F HA 0.803 5.331 4.527 0.003 0.000 0.321 1007 F C -0.140 175.686 175.800 0.043 0.000 1.089 1007 F CA -0.518 57.503 58.000 0.036 0.000 0.926 1007 F CB 2.065 41.041 39.000 -0.041 0.000 1.168 1007 F HN 0.897 nan 8.300 nan 0.000 0.459 1008 C N 1.397 120.845 119.300 0.246 0.000 3.018 1008 C HA 0.318 4.780 4.460 0.003 0.000 0.413 1008 C C -0.806 174.254 174.990 0.117 0.000 1.015 1008 C CA -0.971 58.153 59.018 0.176 0.000 1.233 1008 C CB -0.151 27.691 27.740 0.169 0.000 1.630 1008 C HN 0.884 nan 8.230 nan 0.000 0.532 1009 H N 2.060 121.193 119.070 0.104 0.000 3.167 1009 H HA 0.422 4.980 4.556 0.003 0.000 0.306 1009 H C 0.892 176.259 175.328 0.066 0.000 0.965 1009 H CA 2.621 58.711 56.048 0.071 0.000 1.408 1009 H CB 0.700 30.492 29.762 0.051 0.000 1.406 1009 H HN 1.350 nan 8.280 nan 0.000 0.576 1010 G N 0.965 109.844 108.800 0.132 0.000 2.328 1010 G HA2 0.273 4.235 3.960 0.003 0.000 0.299 1010 G HA3 0.273 4.235 3.960 0.003 0.000 0.299 1010 G C -1.508 173.428 174.900 0.060 0.000 1.435 1010 G CA -0.310 44.846 45.100 0.094 0.000 0.865 1010 G HN 0.598 nan 8.290 nan 0.000 0.601 1011 S N -0.890 114.838 115.700 0.047 0.000 2.572 1011 S HA 0.510 4.982 4.470 0.003 0.000 0.274 1011 S C 0.495 175.114 174.600 0.031 0.000 1.150 1011 S CA -0.683 57.539 58.200 0.037 0.000 0.944 1011 S CB 1.277 64.496 63.200 0.030 0.000 1.071 1011 S HN 0.761 nan 8.310 nan 0.000 0.479 1012 L N 3.706 124.949 121.223 0.033 0.000 2.612 1012 L HA 0.322 4.664 4.340 0.003 0.000 0.230 1012 L C -0.091 176.795 176.870 0.028 0.000 1.140 1012 L CA 0.104 54.962 54.840 0.031 0.000 0.896 1012 L CB 0.244 42.324 42.059 0.034 0.000 1.065 1012 L HN 0.381 nan 8.230 nan 0.000 0.447 1013 V N 0.477 120.404 119.914 0.023 0.000 2.547 1013 V HA 0.280 4.402 4.120 0.003 0.000 0.299 1013 V C 0.845 176.936 176.094 -0.005 0.000 1.040 1013 V CA -0.781 61.524 62.300 0.008 0.000 0.913 1013 V CB 2.127 33.953 31.823 0.004 0.000 0.992 1013 V HN 0.074 nan 8.190 nan 0.000 0.449 1014 M N 2.586 122.178 119.600 -0.014 0.000 2.150 1014 M HA 0.097 4.579 4.480 0.003 0.000 0.278 1014 M C 0.604 176.881 176.300 -0.038 0.000 1.213 1014 M CA 0.782 56.066 55.300 -0.027 0.000 1.147 1014 M CB -0.102 32.477 32.600 -0.035 0.000 1.371 1014 M HN 0.821 nan 8.290 nan 0.000 0.444 1015 Q N -0.562 119.208 119.800 -0.051 0.000 1.656 1015 Q HA 0.165 4.507 4.340 0.003 0.000 0.159 1015 Q C 0.054 176.009 176.000 -0.076 0.000 0.744 1015 Q CA 0.227 55.993 55.803 -0.060 0.000 0.767 1015 Q CB 0.036 28.747 28.738 -0.044 0.000 1.205 1015 Q HN 0.691 nan 8.270 nan 0.000 0.368 1016 N N 0.298 118.950 118.700 -0.079 0.000 2.467 1016 N HA 0.100 4.842 4.740 0.003 0.000 0.184 1016 N C -0.065 175.366 175.510 -0.132 0.000 1.106 1016 N CA 0.245 53.241 53.050 -0.091 0.000 0.892 1016 N CB 0.329 38.770 38.487 -0.076 0.000 0.969 1016 N HN 0.323 nan 8.380 nan 0.000 0.454 1017 L N 2.094 123.222 121.223 -0.158 0.000 2.652 1017 L HA 0.087 4.429 4.340 0.003 0.000 0.284 1017 L C 1.373 178.096 176.870 -0.245 0.000 1.204 1017 L CA -0.162 54.528 54.840 -0.249 0.000 1.105 1017 L CB -1.295 40.591 42.059 -0.289 0.000 1.393 1017 L HN 0.124 nan 8.230 nan 0.000 0.452 1022 T N 2.932 117.407 114.554 -0.131 0.000 3.041 1022 T HA 0.561 4.913 4.350 0.003 0.000 0.321 1022 T C -2.664 171.860 174.700 -0.292 0.000 1.184 1022 T CA -1.188 60.803 62.100 -0.182 0.000 1.050 1022 T CB 2.072 70.847 68.868 -0.155 0.000 1.159 1022 T HN 0.123 nan 8.240 nan 0.000 0.469 1023 P HA 0.108 nan 4.420 nan 0.000 0.241 1023 P C 0.519 177.394 177.300 -0.708 0.000 1.191 1023 P CA 0.417 63.000 63.100 -0.862 0.000 0.771 1023 P CB 0.137 30.986 31.700 -1.417 0.000 0.929 1024 T N -3.304 110.990 114.554 -0.434 0.000 2.924 1024 T HA 0.669 5.021 4.350 0.003 0.000 0.291 1024 T C -0.804 173.780 174.700 -0.193 0.000 1.045 1024 T CA -0.760 61.160 62.100 -0.301 0.000 1.015 1024 T CB 1.910 70.617 68.868 -0.268 0.000 1.103 1024 T HN -0.292 nan 8.240 nan 0.000 0.496 1025 Q N 0.276 119.996 119.800 -0.134 0.000 2.321 1025 Q HA 0.719 5.061 4.340 0.003 0.000 0.270 1025 Q C 0.202 176.169 176.000 -0.056 0.000 1.032 1025 Q CA 0.225 55.973 55.803 -0.091 0.000 0.784 1025 Q CB 1.772 30.458 28.738 -0.086 0.000 1.264 1025 Q HN 1.477 nan 8.270 nan 0.000 0.448 1026 G N 0.809 109.591 108.800 -0.031 0.000 2.566 1026 G HA2 0.197 4.159 3.960 0.003 0.000 0.599 1026 G HA3 0.197 4.159 3.960 0.003 0.000 0.599 1026 G C -0.860 174.048 174.900 0.013 0.000 1.292 1026 G CA -0.408 44.697 45.100 0.007 0.000 0.922 1026 G HN 0.970 nan 8.290 nan 0.000 0.514 1027 S N -1.382 114.334 115.700 0.027 0.000 2.194 1027 S HA 0.441 4.913 4.470 0.003 0.000 0.249 1027 S C -0.903 173.686 174.600 -0.017 0.000 0.777 1027 S CA 0.190 58.402 58.200 0.019 0.000 0.947 1027 S CB 0.415 63.636 63.200 0.035 0.000 1.282 1027 S HN 1.756 nan 8.310 nan 0.000 0.383 1028 V N 6.190 126.075 119.914 -0.048 0.000 2.378 1028 V HA 0.532 4.654 4.120 0.003 0.000 0.288 1028 V C 0.199 176.350 176.094 0.095 0.000 1.016 1028 V CA -0.597 61.653 62.300 -0.083 0.000 0.840 1028 V CB 1.348 33.039 31.823 -0.220 0.000 0.994 1028 V HN 0.760 nan 8.190 nan 0.000 0.431 1029 L N 5.291 126.573 121.223 0.098 0.000 2.421 1029 L HA 0.704 5.046 4.340 0.003 0.000 0.263 1029 L C -0.485 176.532 176.870 0.245 0.000 1.122 1029 L CA -0.438 54.441 54.840 0.065 0.000 0.804 1029 L CB 1.252 43.315 42.059 0.008 0.000 1.150 1029 L HN 0.746 nan 8.230 nan 0.000 0.457 1030 F N -1.050 118.944 119.950 0.073 0.000 2.615 1030 F HA 0.735 5.265 4.527 0.004 0.000 0.312 1030 F C -0.178 175.580 175.800 -0.071 0.000 1.119 1030 F CA -0.979 57.020 58.000 -0.002 0.000 0.979 1030 F CB 0.728 39.740 39.000 0.020 0.000 1.266 1030 F HN 0.372 nan 8.300 nan 0.000 0.444 1031 G N 0.992 109.859 108.800 0.111 0.000 2.425 1031 G HA2 0.543 4.505 3.960 0.003 0.000 0.302 1031 G HA3 0.543 4.505 3.960 0.003 0.000 0.302 1031 G C -1.226 173.731 174.900 0.095 0.000 1.159 1031 G CA -0.599 44.535 45.100 0.056 0.000 0.865 1031 G HN 0.838 nan 8.290 nan 0.000 0.515 1032 T N 0.315 114.924 114.554 0.091 0.000 2.916 1032 T HA 0.258 4.610 4.350 0.003 0.000 0.292 1032 T C 1.330 176.096 174.700 0.110 0.000 1.055 1032 T CA -0.452 61.723 62.100 0.126 0.000 1.009 1032 T CB 1.950 70.907 68.868 0.148 0.000 1.118 1032 T HN 0.129 nan 8.240 nan 0.000 0.497 1033 V N 2.825 122.836 119.914 0.162 0.000 2.594 1033 V HA -0.096 4.026 4.120 0.003 0.000 0.253 1033 V C 1.758 177.879 176.094 0.045 0.000 1.069 1033 V CA 1.844 64.202 62.300 0.096 0.000 1.082 1033 V CB -0.557 31.317 31.823 0.085 0.000 0.680 1033 V HN 0.756 nan 8.190 nan 0.000 0.469 1034 N N -0.525 118.207 118.700 0.053 0.000 2.336 1034 N HA 0.220 4.962 4.740 0.003 0.000 0.189 1034 N C 1.302 176.826 175.510 0.023 0.000 1.113 1034 N CA 0.580 53.646 53.050 0.027 0.000 0.858 1034 N CB 0.614 39.115 38.487 0.024 0.000 0.970 1034 N HN 0.519 nan 8.380 nan 0.000 0.471 1035 G N 0.753 109.568 108.800 0.025 0.000 2.176 1035 G HA2 -0.288 3.674 3.960 0.003 0.000 0.253 1035 G HA3 -0.288 3.674 3.960 0.003 0.000 0.253 1035 G C 0.139 175.042 174.900 0.005 0.000 0.979 1035 G CA -0.197 44.908 45.100 0.009 0.000 0.641 1035 G HN 0.257 nan 8.290 nan 0.000 0.530 1036 M N 1.135 120.747 119.600 0.020 0.000 2.217 1036 M HA 0.577 5.059 4.480 0.003 0.000 0.354 1036 M C -0.250 176.022 176.300 -0.045 0.000 1.225 1036 M CA 0.123 55.426 55.300 0.004 0.000 1.137 1036 M CB 0.333 32.961 32.600 0.047 0.000 1.576 1036 M HN 0.176 nan 8.290 nan 0.000 0.461 1037 I N 4.201 124.694 120.570 -0.128 0.000 2.382 1037 I HA 0.439 4.611 4.170 0.003 0.000 0.286 1037 I C 0.415 176.242 176.117 -0.483 0.000 1.002 1037 I CA -0.625 60.517 61.300 -0.263 0.000 1.135 1037 I CB 1.819 39.715 38.000 -0.173 0.000 1.288 1037 I HN 0.790 nan 8.210 nan 0.000 0.448 1038 G N 5.652 113.774 108.800 -1.131 0.000 2.667 1038 G HA2 0.749 4.711 3.960 0.003 0.000 0.310 1038 G HA3 0.749 4.711 3.960 0.003 0.000 0.310 1038 G C -1.601 172.686 174.900 -1.021 0.000 1.259 1038 G CA -0.419 43.839 45.100 -1.403 0.000 1.019 1038 G HN 0.357 nan 8.290 nan 0.000 0.496 1039 L N -0.622 120.353 121.223 -0.414 0.000 2.393 1039 L HA 0.832 5.174 4.340 0.003 0.000 0.260 1039 L C -1.085 175.888 176.870 0.171 0.000 1.002 1039 L CA -0.919 53.883 54.840 -0.063 0.000 0.818 1039 L CB 2.338 44.364 42.059 -0.055 0.000 1.369 1039 L HN 0.418 nan 8.230 nan 0.000 0.412 1040 V N 2.372 122.397 119.914 0.184 0.000 2.808 1040 V HA 0.846 4.968 4.120 0.003 0.000 0.308 1040 V C -0.367 175.790 176.094 0.104 0.000 1.099 1040 V CA -0.114 62.294 62.300 0.181 0.000 0.920 1040 V CB 2.105 34.025 31.823 0.161 0.000 1.014 1040 V HN 1.014 nan 8.190 nan 0.000 0.425 1041 T N 0.690 115.322 114.554 0.129 0.000 2.626 1041 T HA 0.684 5.036 4.350 0.003 0.000 0.279 1041 T C -0.564 174.152 174.700 0.028 0.000 0.983 1041 T CA -0.912 61.219 62.100 0.050 0.000 1.059 1041 T CB 1.891 70.770 68.868 0.017 0.000 1.396 1041 T HN 0.496 nan 8.240 nan 0.000 0.519 1042 S N 0.102 115.791 115.700 -0.018 0.000 2.526 1042 S HA 0.754 5.226 4.470 0.003 0.000 0.293 1042 S C -0.941 173.648 174.600 -0.018 0.000 1.092 1042 S CA -0.793 57.392 58.200 -0.023 0.000 0.980 1042 S CB 0.790 63.953 63.200 -0.061 0.000 1.048 1042 S HN 0.523 nan 8.310 nan 0.000 0.483 1043 L N 1.672 122.931 121.223 0.061 0.000 2.303 1043 L HA 0.637 4.979 4.340 0.003 0.000 0.266 1043 L C 0.335 177.262 176.870 0.097 0.000 1.011 1043 L CA -0.945 53.931 54.840 0.060 0.000 0.818 1043 L CB 1.962 44.138 42.059 0.196 0.000 1.326 1043 L HN 0.727 nan 8.230 nan 0.000 0.435 1044 S N -1.502 114.220 115.700 0.038 0.000 2.601 1044 S HA 0.112 4.583 4.470 0.003 0.000 0.271 1044 S C 0.735 175.250 174.600 -0.140 0.000 1.305 1044 S CA -0.566 57.646 58.200 0.021 0.000 1.022 1044 S CB 1.557 64.776 63.200 0.032 0.000 0.940 1044 S HN 0.782 nan 8.310 nan 0.000 0.525 1045 E N 1.341 121.301 120.200 -0.401 0.000 2.171 1045 E HA -0.210 4.142 4.350 0.003 0.000 0.197 1045 E C 1.895 178.342 176.600 -0.254 0.000 0.997 1045 E CA 1.414 57.325 56.400 -0.815 0.000 0.810 1045 E CB -0.264 29.131 29.700 -0.508 0.000 0.738 1045 E HN 0.706 nan 8.360 nan 0.000 0.467 1046 S N -0.343 115.320 115.700 -0.063 0.000 2.363 1046 S HA -0.196 4.276 4.470 0.003 0.000 0.218 1046 S C 1.518 176.161 174.600 0.072 0.000 1.035 1046 S CA 1.612 59.829 58.200 0.028 0.000 1.043 1046 S CB -0.619 62.646 63.200 0.109 0.000 0.986 1046 S HN 0.568 nan 8.310 nan 0.000 0.423 1047 W N 0.873 122.140 121.300 -0.056 0.000 2.321 1047 W HA -0.089 4.572 4.660 0.002 0.000 0.306 1047 W C 2.332 178.844 176.519 -0.013 0.000 1.217 1047 W CA 1.277 58.607 57.345 -0.026 0.000 1.257 1047 W CB -1.329 28.119 29.460 -0.021 0.000 1.145 1047 W HN 0.549 nan 8.180 nan 0.000 0.509 1048 Y N 1.837 122.186 120.300 0.081 0.000 2.014 1048 Y HA -0.394 4.158 4.550 0.004 0.000 0.272 1048 Y C 2.360 178.254 175.900 -0.009 0.000 1.164 1048 Y CA 2.494 60.603 58.100 0.016 0.000 1.114 1048 Y CB -1.088 37.269 38.460 -0.171 0.000 0.961 1048 Y HN -0.130 nan 8.280 nan 0.000 0.489 1049 N N 0.444 119.130 118.700 -0.023 0.000 2.060 1049 N HA -0.227 4.515 4.740 0.003 0.000 0.195 1049 N C 1.875 177.302 175.510 -0.138 0.000 1.028 1049 N CA 1.749 54.747 53.050 -0.087 0.000 0.861 1049 N CB -0.857 37.620 38.487 -0.016 0.000 1.029 1049 N HN 0.445 nan 8.380 nan 0.000 0.428 1050 L N 1.513 122.657 121.223 -0.132 0.000 1.994 1050 L HA -0.066 4.276 4.340 0.003 0.000 0.208 1050 L C 2.137 178.903 176.870 -0.173 0.000 1.071 1050 L CA 1.409 56.151 54.840 -0.162 0.000 0.745 1050 L CB -0.958 40.958 42.059 -0.239 0.000 0.892 1050 L HN 0.118 nan 8.230 nan 0.000 0.431 1051 L N -1.041 120.087 121.223 -0.157 0.000 2.127 1051 L HA -0.213 4.129 4.340 0.003 0.000 0.211 1051 L C 2.473 179.242 176.870 -0.168 0.000 1.089 1051 L CA 0.858 55.627 54.840 -0.119 0.000 0.757 1051 L CB -0.676 41.392 42.059 0.015 0.000 0.899 1051 L HN 0.378 nan 8.230 nan 0.000 0.434 1052 L N -0.169 120.885 121.223 -0.283 0.000 2.093 1052 L HA -0.209 4.133 4.340 0.003 0.000 0.208 1052 L C 2.155 178.941 176.870 -0.141 0.000 1.085 1052 L CA 1.786 56.465 54.840 -0.268 0.000 0.755 1052 L CB -0.721 41.097 42.059 -0.402 0.000 0.904 1052 L HN 0.287 nan 8.230 nan 0.000 0.435 1053 D N -0.977 119.346 120.400 -0.129 0.000 2.097 1053 D HA -0.203 4.439 4.640 0.003 0.000 0.197 1053 D C 2.039 178.285 176.300 -0.090 0.000 0.984 1053 D CA 1.170 55.117 54.000 -0.087 0.000 0.826 1053 D CB 0.206 40.957 40.800 -0.082 0.000 0.973 1053 D HN 0.231 nan 8.370 nan 0.000 0.460 1054 M N 0.915 120.442 119.600 -0.121 0.000 2.089 1054 M HA -0.212 4.270 4.480 0.003 0.000 0.257 1054 M C 2.287 178.532 176.300 -0.092 0.000 1.071 1054 M CA 1.520 56.741 55.300 -0.133 0.000 1.096 1054 M CB -1.184 31.310 32.600 -0.176 0.000 1.330 1054 M HN 0.189 nan 8.290 nan 0.000 0.403 1055 Q N -0.279 119.466 119.800 -0.092 0.000 2.030 1055 Q HA -0.206 4.136 4.340 0.003 0.000 0.204 1055 Q C 1.810 177.760 176.000 -0.082 0.000 0.986 1055 Q CA 1.928 57.670 55.803 -0.102 0.000 0.843 1055 Q CB -0.472 28.199 28.738 -0.113 0.000 0.904 1055 Q HN 0.658 nan 8.270 nan 0.000 0.420 1056 N N 0.020 118.689 118.700 -0.052 0.000 2.205 1056 N HA -0.162 4.580 4.740 0.003 0.000 0.186 1056 N C 1.766 177.271 175.510 -0.007 0.000 1.015 1056 N CA 0.900 53.940 53.050 -0.018 0.000 0.862 1056 N CB 0.013 38.498 38.487 -0.004 0.000 0.986 1056 N HN 0.169 nan 8.380 nan 0.000 0.429 1057 R N 0.615 121.105 120.500 -0.017 0.000 2.057 1057 R HA 0.017 4.359 4.340 0.003 0.000 0.229 1057 R C 2.206 178.518 176.300 0.020 0.000 1.136 1057 R CA 0.737 56.838 56.100 0.000 0.000 0.952 1057 R CB -0.671 29.622 30.300 -0.012 0.000 0.848 1057 R HN 0.207 nan 8.270 nan 0.000 0.430 1058 L N 1.486 122.721 121.223 0.021 0.000 2.043 1058 L HA -0.241 4.101 4.340 0.003 0.000 0.212 1058 L C 1.951 178.850 176.870 0.047 0.000 1.075 1058 L CA 1.178 56.051 54.840 0.055 0.000 0.752 1058 L CB -0.522 41.570 42.059 0.056 0.000 0.891 1058 L HN 0.232 nan 8.230 nan 0.000 0.432 1059 N N -0.002 118.708 118.700 0.018 0.000 2.364 1059 N HA -0.165 4.577 4.740 0.003 0.000 0.183 1059 N C 1.666 177.216 175.510 0.067 0.000 1.022 1059 N CA 1.081 54.160 53.050 0.048 0.000 0.883 1059 N CB -0.067 38.437 38.487 0.028 0.000 0.965 1059 N HN 0.407 nan 8.380 nan 0.000 0.438 1060 K N -0.065 120.364 120.400 0.048 0.000 2.155 1060 K HA 0.056 4.378 4.320 0.003 0.000 0.203 1060 K C 1.668 178.292 176.600 0.039 0.000 1.052 1060 K CA 0.556 56.869 56.287 0.043 0.000 0.948 1060 K CB 0.364 32.884 32.500 0.033 0.000 0.728 1060 K HN -0.017 nan 8.250 nan 0.000 0.448 1061 V N 0.849 120.789 119.914 0.043 0.000 2.795 1061 V HA 0.025 4.147 4.120 0.003 0.000 0.243 1061 V C 0.843 176.957 176.094 0.033 0.000 1.069 1061 V CA 0.179 62.501 62.300 0.035 0.000 1.089 1061 V CB 0.058 31.905 31.823 0.041 0.000 0.756 1061 V HN 0.118 nan 8.190 nan 0.000 0.471 1062 I N 1.292 121.894 120.570 0.054 0.000 2.618 1062 I HA 0.032 4.204 4.170 0.003 0.000 0.284 1062 I C 0.701 176.836 176.117 0.031 0.000 1.146 1062 I CA 0.675 62.006 61.300 0.053 0.000 1.425 1062 I CB 0.350 38.413 38.000 0.106 0.000 1.383 1062 I HN 0.095 nan 8.210 nan 0.000 0.562 1063 K N 4.801 125.195 120.400 -0.010 0.000 2.338 1063 K HA 0.159 4.481 4.320 0.003 0.000 0.290 1063 K C 0.051 176.597 176.600 -0.090 0.000 1.069 1063 K CA -0.126 56.135 56.287 -0.044 0.000 0.941 1063 K CB 0.599 33.064 32.500 -0.058 0.000 1.023 1063 K HN 0.547 nan 8.250 nan 0.000 0.477 1064 S N 2.775 118.412 115.700 -0.104 0.000 2.499 1064 S HA 0.040 4.512 4.470 0.003 0.000 0.275 1064 S C 1.649 176.095 174.600 -0.257 0.000 1.257 1064 S CA -0.758 57.296 58.200 -0.245 0.000 1.050 1064 S CB 0.692 63.810 63.200 -0.136 0.000 0.937 1064 S HN 0.425 nan 8.310 nan 0.000 0.490 1065 V N 5.369 125.093 119.914 -0.317 0.000 2.233 1065 V HA -0.188 3.933 4.120 0.003 0.000 0.252 1065 V C 2.212 178.187 176.094 -0.199 0.000 1.063 1065 V CA 2.517 64.679 62.300 -0.230 0.000 1.032 1065 V CB -1.006 30.680 31.823 -0.227 0.000 0.645 1065 V HN 0.983 nan 8.190 nan 0.000 0.446 1066 G N -1.545 107.118 108.800 -0.228 0.000 3.523 1066 G HA2 0.182 4.144 3.960 0.003 0.000 0.270 1066 G HA3 0.182 4.144 3.960 0.003 0.000 0.270 1066 G C 0.497 175.235 174.900 -0.269 0.000 1.134 1066 G CA -0.122 44.858 45.100 -0.199 0.000 0.825 1066 G HN 0.329 nan 8.290 nan 0.000 0.534 1067 K N -0.488 119.738 120.400 -0.289 0.000 3.230 1067 K HA -0.168 4.154 4.320 0.003 0.000 0.285 1067 K C 0.283 176.747 176.600 -0.227 0.000 1.196 1067 K CA 0.473 56.542 56.287 -0.364 0.000 0.838 1067 K CB -2.291 29.672 32.500 -0.895 0.000 1.262 1067 K HN 0.493 nan 8.250 nan 0.000 0.492 1068 I N 1.201 121.701 120.570 -0.118 0.000 2.428 1068 I HA 0.080 4.252 4.170 0.003 0.000 0.289 1068 I C 0.862 177.094 176.117 0.192 0.000 1.019 1068 I CA -0.501 60.803 61.300 0.007 0.000 1.351 1068 I CB 0.925 38.941 38.000 0.026 0.000 1.412 1068 I HN -0.016 nan 8.210 nan 0.000 0.513 1069 E N 3.425 123.753 120.200 0.214 0.000 2.223 1069 E HA 0.036 4.388 4.350 0.003 0.000 0.282 1069 E C 0.787 177.618 176.600 0.384 0.000 1.046 1069 E CA 0.038 56.613 56.400 0.292 0.000 0.857 1069 E CB 0.665 30.497 29.700 0.221 0.000 1.055 1069 E HN 0.470 nan 8.360 nan 0.000 0.409 1070 H N 2.330 121.541 119.070 0.235 0.000 2.357 1070 H HA -0.200 4.358 4.556 0.004 0.000 0.296 1070 H C 1.560 176.923 175.328 0.060 0.000 1.108 1070 H CA 2.434 58.446 56.048 -0.061 0.000 1.273 1070 H CB 0.329 29.980 29.762 -0.185 0.000 1.367 1070 H HN 0.446 nan 8.280 nan 0.000 0.498 1071 S N -0.732 115.111 115.700 0.238 0.000 2.423 1071 S HA -0.103 4.369 4.470 0.003 0.000 0.231 1071 S C 1.662 176.320 174.600 0.097 0.000 1.014 1071 S CA 0.885 59.176 58.200 0.152 0.000 0.965 1071 S CB -0.410 62.902 63.200 0.186 0.000 0.785 1071 S HN 0.488 nan 8.310 nan 0.000 0.495 1072 F N 1.296 121.277 119.950 0.051 0.000 2.098 1072 F HA -0.040 4.488 4.527 0.003 0.000 0.294 1072 F C 2.039 177.845 175.800 0.010 0.000 1.107 1072 F CA 1.350 59.371 58.000 0.034 0.000 1.234 1072 F CB -0.627 38.413 39.000 0.066 0.000 1.002 1072 F HN 0.378 nan 8.300 nan 0.000 0.472 1073 W N 1.799 123.031 121.300 -0.113 0.000 2.317 1073 W HA -0.256 4.406 4.660 0.003 0.000 0.318 1073 W C 1.353 177.617 176.519 -0.425 0.000 1.227 1073 W CA 1.185 58.379 57.345 -0.252 0.000 1.269 1073 W CB -0.190 29.173 29.460 -0.161 0.000 1.155 1073 W HN -0.113 nan 8.180 nan 0.000 0.484 1074 R N 1.066 121.170 120.500 -0.660 0.000 2.335 1074 R HA 0.108 4.450 4.340 0.003 0.000 0.223 1074 R C 0.286 176.254 176.300 -0.553 0.000 0.940 1074 R CA 0.170 55.715 56.100 -0.925 0.000 1.086 1074 R CB -0.578 29.177 30.300 -0.908 0.000 1.073 1074 R HN -0.076 nan 8.270 nan 0.000 0.504 1075 S N 1.503 116.950 115.700 -0.421 0.000 2.528 1075 S HA 0.118 4.590 4.470 0.003 0.000 0.277 1075 S C -0.084 174.409 174.600 -0.178 0.000 1.297 1075 S CA -0.568 57.492 58.200 -0.233 0.000 1.052 1075 S CB 0.356 63.407 63.200 -0.248 0.000 0.917 1075 S HN 0.236 nan 8.310 nan 0.000 0.492 1076 F N 3.938 123.821 119.950 -0.112 0.000 2.629 1076 F HA 0.139 4.668 4.527 0.003 0.000 0.377 1076 F C 0.347 176.151 175.800 0.007 0.000 1.101 1076 F CA 0.888 58.873 58.000 -0.024 0.000 1.301 1076 F CB 0.290 39.297 39.000 0.012 0.000 1.062 1076 F HN 0.698 nan 8.300 nan 0.000 0.583 1077 H N 3.068 121.859 119.070 -0.466 0.000 3.087 1077 H HA 0.466 5.024 4.556 0.003 0.000 0.348 1077 H C -1.072 174.128 175.328 -0.213 0.000 1.092 1077 H CA 0.004 55.911 56.048 -0.236 0.000 1.285 1077 H CB 1.434 30.994 29.762 -0.338 0.000 1.875 1077 H HN 0.738 nan 8.280 nan 0.000 0.512 1078 T N 0.698 114.855 114.554 -0.663 0.000 2.754 1078 T HA 0.207 4.559 4.350 0.003 0.000 0.296 1078 T C 0.559 174.998 174.700 -0.435 0.000 1.205 1078 T CA -0.725 61.081 62.100 -0.490 0.000 1.009 1078 T CB 1.622 70.415 68.868 -0.125 0.000 1.368 1078 T HN 0.528 nan 8.240 nan 0.000 0.509 1079 E N -0.453 119.636 120.200 -0.185 0.000 2.478 1079 E HA 0.061 4.413 4.350 0.003 0.000 0.198 1079 E C 1.746 178.352 176.600 0.011 0.000 1.046 1079 E CA 0.703 57.077 56.400 -0.043 0.000 0.870 1079 E CB 0.057 29.765 29.700 0.012 0.000 0.818 1079 E HN 0.541 nan 8.360 nan 0.000 0.527 1080 R N 0.217 120.722 120.500 0.008 0.000 1.906 1080 R HA 0.115 4.457 4.340 0.003 0.000 0.186 1080 R C 0.282 176.620 176.300 0.062 0.000 1.615 1080 R CA 0.369 56.499 56.100 0.051 0.000 1.265 1080 R CB -0.033 30.310 30.300 0.071 0.000 0.976 1080 R HN 0.029 nan 8.270 nan 0.000 0.487 1081 K N 0.068 120.519 120.400 0.086 0.000 2.210 1081 K HA 0.398 4.720 4.320 0.003 0.000 0.236 1081 K C -1.348 175.358 176.600 0.177 0.000 1.016 1081 K CA -0.700 55.654 56.287 0.113 0.000 0.913 1081 K CB 1.994 34.545 32.500 0.085 0.000 1.141 1081 K HN 0.039 nan 8.250 nan 0.000 0.462 1082 T N 1.287 115.952 114.554 0.184 0.000 3.170 1082 T HA 0.264 4.616 4.350 0.003 0.000 0.315 1082 T C -1.503 173.288 174.700 0.151 0.000 0.967 1082 T CA -0.867 61.365 62.100 0.219 0.000 1.024 1082 T CB 1.120 70.116 68.868 0.213 0.000 1.018 1082 T HN 0.548 nan 8.240 nan 0.000 0.449 1083 E N 2.610 122.916 120.200 0.177 0.000 2.336 1083 E HA 0.491 4.843 4.350 0.003 0.000 0.267 1083 E C -2.877 173.787 176.600 0.108 0.000 0.906 1083 E CA -2.587 53.880 56.400 0.112 0.000 0.781 1083 E CB 1.893 31.629 29.700 0.059 0.000 1.261 1083 E HN 0.216 nan 8.360 nan 0.000 0.436 1084 P HA 0.132 nan 4.420 nan 0.000 0.275 1084 P C -0.619 176.757 177.300 0.128 0.000 1.227 1084 P CA 0.040 63.192 63.100 0.087 0.000 0.781 1084 P CB 0.631 32.386 31.700 0.091 0.000 0.906 1085 A N 2.962 125.862 122.820 0.134 0.000 2.455 1085 A HA 0.542 4.864 4.320 0.003 0.000 0.244 1085 A C 0.206 177.953 177.584 0.272 0.000 1.099 1085 A CA 0.797 52.976 52.037 0.236 0.000 0.786 1085 A CB -0.528 18.628 19.000 0.260 0.000 1.051 1085 A HN 0.661 nan 8.150 nan 0.000 0.508 1086 T N -3.747 111.022 114.554 0.357 0.000 2.907 1086 T HA 0.537 4.889 4.350 0.003 0.000 0.344 1086 T C 0.548 175.421 174.700 0.288 0.000 1.675 1086 T CA 0.108 62.391 62.100 0.304 0.000 1.076 1086 T CB 0.671 69.650 68.868 0.186 0.000 1.483 1086 T HN 2.496 nan 8.240 nan 0.000 0.487 1087 G N 0.386 109.308 108.800 0.203 0.000 2.220 1087 G HA2 -0.235 3.727 3.960 0.003 0.000 0.269 1087 G HA3 -0.235 3.727 3.960 0.003 0.000 0.269 1087 G C -0.139 174.664 174.900 -0.162 0.000 0.977 1087 G CA 0.509 45.521 45.100 -0.148 0.000 0.634 1087 G HN 0.895 nan 8.290 nan 0.000 0.539 1088 F N -0.185 119.945 119.950 0.300 0.000 2.532 1088 F HA 0.764 5.292 4.527 0.003 0.000 0.321 1088 F C 0.365 176.280 175.800 0.191 0.000 1.089 1088 F CA -1.077 57.022 58.000 0.165 0.000 0.926 1088 F CB 1.891 40.875 39.000 -0.026 0.000 1.168 1088 F HN -0.069 nan 8.300 nan 0.000 0.459 1089 I N 2.930 123.661 120.570 0.268 0.000 2.499 1089 I HA 0.209 4.381 4.170 0.003 0.000 0.288 1089 I C -1.426 174.606 176.117 -0.141 0.000 1.048 1089 I CA -0.906 60.462 61.300 0.114 0.000 1.062 1089 I CB 1.947 40.037 38.000 0.150 0.000 1.238 1089 I HN 0.493 nan 8.210 nan 0.000 0.426 1090 D N 5.252 125.616 120.400 -0.060 0.000 2.274 1090 D HA 0.168 4.810 4.640 0.003 0.000 0.239 1090 D C 1.041 177.201 176.300 -0.233 0.000 1.104 1090 D CA -0.684 53.212 54.000 -0.174 0.000 0.840 1090 D CB 1.853 42.746 40.800 0.154 0.000 1.100 1090 D HN 0.648 nan 8.370 nan 0.000 0.477 1091 G N 2.303 110.754 108.800 -0.581 0.000 2.559 1091 G HA2 -0.236 3.726 3.960 0.003 0.000 0.216 1091 G HA3 -0.236 3.726 3.960 0.003 0.000 0.216 1091 G C 0.935 175.841 174.900 0.011 0.000 1.126 1091 G CA 0.157 45.063 45.100 -0.324 0.000 0.778 1091 G HN 0.411 nan 8.290 nan 0.000 0.543 1092 D N 0.278 120.693 120.400 0.024 0.000 2.097 1092 D HA -0.068 4.574 4.640 0.003 0.000 0.197 1092 D C 2.428 178.823 176.300 0.157 0.000 0.984 1092 D CA 0.227 54.300 54.000 0.121 0.000 0.826 1092 D CB -0.224 40.673 40.800 0.162 0.000 0.973 1092 D HN 0.255 nan 8.370 nan 0.000 0.460 1093 L N 0.170 121.485 121.223 0.153 0.000 1.961 1093 L HA -0.207 4.135 4.340 0.003 0.000 0.210 1093 L C 2.254 179.196 176.870 0.120 0.000 1.072 1093 L CA 0.993 55.909 54.840 0.126 0.000 0.749 1093 L CB -0.225 41.842 42.059 0.013 0.000 0.889 1093 L HN -0.018 nan 8.230 nan 0.000 0.432 1094 I N 0.338 120.968 120.570 0.100 0.000 2.236 1094 I HA -0.347 3.825 4.170 0.003 0.000 0.249 1094 I C 2.426 178.665 176.117 0.205 0.000 1.102 1094 I CA 1.576 62.957 61.300 0.135 0.000 1.365 1094 I CB -0.468 37.639 38.000 0.179 0.000 1.051 1094 I HN 0.319 nan 8.210 nan 0.000 0.420 1095 E N -0.508 119.819 120.200 0.212 0.000 2.358 1095 E HA -0.102 4.250 4.350 0.003 0.000 0.195 1095 E C 2.117 178.840 176.600 0.205 0.000 1.010 1095 E CA 1.025 57.561 56.400 0.227 0.000 0.856 1095 E CB -0.099 29.735 29.700 0.224 0.000 0.795 1095 E HN 0.583 nan 8.360 nan 0.000 0.504 1096 S N 0.342 116.156 115.700 0.190 0.000 2.515 1096 S HA -0.108 4.364 4.470 0.003 0.000 0.231 1096 S C 1.677 176.366 174.600 0.149 0.000 0.987 1096 S CA 0.015 58.305 58.200 0.150 0.000 0.936 1096 S CB -0.388 62.900 63.200 0.146 0.000 0.766 1096 S HN 0.322 nan 8.310 nan 0.000 0.528 1097 F N 2.579 122.560 119.950 0.052 0.000 2.171 1097 F HA 0.122 4.654 4.527 0.008 0.000 0.300 1097 F C 1.554 177.371 175.800 0.027 0.000 1.090 1097 F CA 1.114 59.133 58.000 0.032 0.000 1.293 1097 F CB -0.337 38.678 39.000 0.024 0.000 1.013 1097 F HN 0.151 nan 8.300 nan 0.000 0.486 1098 L N 0.068 121.319 121.223 0.048 0.000 2.622 1098 L HA -0.095 4.247 4.340 0.003 0.000 0.233 1098 L C 0.579 177.376 176.870 -0.122 0.000 1.156 1098 L CA 0.620 55.418 54.840 -0.070 0.000 0.866 1098 L CB -0.531 41.584 42.059 0.094 0.000 0.980 1098 L HN 0.090 nan 8.230 nan 0.000 0.448 1099 D N 0.257 120.593 120.400 -0.106 0.000 2.501 1099 D HA 0.257 4.899 4.640 0.003 0.000 0.226 1099 D C 0.430 176.665 176.300 -0.109 0.000 1.198 1099 D CA 0.150 54.102 54.000 -0.080 0.000 0.830 1099 D CB 0.586 41.373 40.800 -0.022 0.000 1.014 1099 D HN 0.335 nan 8.370 nan 0.000 0.496 1100 I N -2.131 118.325 120.570 -0.190 0.000 2.910 1100 I HA 0.493 4.665 4.170 0.003 0.000 0.310 1100 I C 0.495 176.506 176.117 -0.176 0.000 1.043 1100 I CA -1.068 60.135 61.300 -0.163 0.000 1.053 1100 I CB 1.868 39.772 38.000 -0.158 0.000 1.242 1100 I HN -0.232 nan 8.210 nan 0.000 0.452 1101 S N 2.520 118.147 115.700 -0.121 0.000 2.579 1101 S HA 0.255 4.727 4.470 0.003 0.000 0.275 1101 S C 0.945 175.478 174.600 -0.110 0.000 1.345 1101 S CA -0.412 57.728 58.200 -0.099 0.000 1.031 1101 S CB 1.085 64.245 63.200 -0.066 0.000 0.892 1101 S HN 0.808 nan 8.310 nan 0.000 0.529 1102 R N 1.606 122.056 120.500 -0.084 0.000 2.105 1102 R HA -0.065 4.277 4.340 0.003 0.000 0.239 1102 R C -0.821 175.453 176.300 -0.043 0.000 1.135 1102 R CA 1.733 57.794 56.100 -0.066 0.000 0.967 1102 R CB -1.840 28.439 30.300 -0.035 0.000 0.861 1102 R HN 0.572 nan 8.270 nan 0.000 0.442 1103 P HA -0.191 nan 4.420 nan 0.000 0.212 1103 P C 0.805 178.094 177.300 -0.018 0.000 1.178 1103 P CA 1.493 64.580 63.100 -0.022 0.000 0.915 1103 P CB -0.028 31.658 31.700 -0.023 0.000 0.788 1104 K N -1.261 119.121 120.400 -0.031 0.000 2.103 1104 K HA -0.157 4.165 4.320 0.003 0.000 0.207 1104 K C 2.253 178.850 176.600 -0.005 0.000 1.048 1104 K CA 1.491 57.765 56.287 -0.021 0.000 0.930 1104 K CB -0.514 31.963 32.500 -0.037 0.000 0.716 1104 K HN 0.114 nan 8.250 nan 0.000 0.444 1105 M N 0.883 120.452 119.600 -0.052 0.000 2.080 1105 M HA -0.271 4.211 4.480 0.003 0.000 0.260 1105 M C 2.072 178.430 176.300 0.097 0.000 1.068 1105 M CA 1.746 57.032 55.300 -0.023 0.000 1.109 1105 M CB 0.043 32.540 32.600 -0.172 0.000 1.342 1105 M HN 0.136 nan 8.290 nan 0.000 0.405 1106 Q N -0.662 119.162 119.800 0.040 0.000 2.224 1106 Q HA -0.218 4.124 4.340 0.003 0.000 0.203 1106 Q C 1.873 177.895 176.000 0.038 0.000 0.970 1106 Q CA 1.489 57.315 55.803 0.039 0.000 0.865 1106 Q CB -0.108 28.640 28.738 0.017 0.000 0.922 1106 Q HN 0.575 nan 8.270 nan 0.000 0.445 1107 E N 0.052 120.273 120.200 0.035 0.000 2.072 1107 E HA -0.145 4.207 4.350 0.003 0.000 0.190 1107 E C 1.895 178.520 176.600 0.042 0.000 0.982 1107 E CA 0.861 57.279 56.400 0.030 0.000 0.803 1107 E CB 0.236 29.949 29.700 0.022 0.000 0.755 1107 E HN 0.146 nan 8.360 nan 0.000 0.453 1108 V N 0.806 120.765 119.914 0.075 0.000 2.469 1108 V HA -0.217 3.905 4.120 0.003 0.000 0.251 1108 V C 2.256 178.372 176.094 0.037 0.000 1.064 1108 V CA 1.328 63.677 62.300 0.083 0.000 1.066 1108 V CB -0.045 31.892 31.823 0.191 0.000 0.667 1108 V HN 0.209 nan 8.190 nan 0.000 0.461 1109 V N -0.131 119.807 119.914 0.040 0.000 3.235 1109 V HA 0.219 4.341 4.120 0.003 0.000 0.259 1109 V C 1.442 177.529 176.094 -0.011 0.000 1.133 1109 V CA 0.373 62.666 62.300 -0.012 0.000 1.128 1109 V CB -0.801 31.015 31.823 -0.012 0.000 0.757 1109 V HN 0.468 nan 8.190 nan 0.000 0.469 1110 A N 1.856 124.679 122.820 0.005 0.000 2.592 1110 A HA -0.029 4.293 4.320 0.003 0.000 0.250 1110 A C 1.027 178.611 177.584 -0.000 0.000 1.017 1110 A CA 0.612 52.651 52.037 0.004 0.000 0.794 1110 A CB -0.632 18.373 19.000 0.009 0.000 0.917 1110 A HN 0.724 nan 8.150 nan 0.000 0.515 1111 N N -1.009 117.692 118.700 0.001 0.000 2.740 1111 N HA -0.176 4.566 4.740 0.003 0.000 0.248 1111 N C -0.736 174.773 175.510 -0.001 0.000 1.062 1111 N CA 1.325 54.376 53.050 0.002 0.000 0.704 1111 N CB -1.231 37.257 38.487 0.002 0.000 0.968 1111 N HN 0.741 nan 8.380 nan 0.000 0.547 1112 L N 0.869 122.090 121.223 -0.003 0.000 2.305 1112 L HA 0.318 4.660 4.340 0.003 0.000 0.284 1112 L C -0.089 176.794 176.870 0.021 0.000 1.013 1112 L CA -0.413 54.423 54.840 -0.005 0.000 0.819 1112 L CB 1.413 43.452 42.059 -0.033 0.000 1.227 1112 L HN -0.034 nan 8.230 nan 0.000 0.417 1113 Q N 4.306 124.119 119.800 0.022 0.000 2.296 1113 Q HA 0.161 4.503 4.340 0.003 0.000 0.263 1113 Q C -1.427 174.619 176.000 0.077 0.000 1.026 1113 Q CA 0.215 56.038 55.803 0.033 0.000 0.912 1113 Q CB 0.954 29.695 28.738 0.005 0.000 1.198 1113 Q HN 0.606 nan 8.270 nan 0.000 0.407 1114 Y N 2.123 122.382 120.300 -0.069 0.000 2.409 1114 Y HA 0.243 4.796 4.550 0.005 0.000 0.343 1114 Y C -0.801 175.051 175.900 -0.079 0.000 0.973 1114 Y CA -1.342 56.703 58.100 -0.091 0.000 1.064 1114 Y CB 1.479 39.881 38.460 -0.097 0.000 1.207 1114 Y HN 0.428 nan 8.280 nan 0.000 0.452 1115 D N 5.267 125.227 120.400 -0.732 0.000 2.443 1115 D HA 0.080 4.722 4.640 0.003 0.000 0.221 1115 D C 0.048 175.745 176.300 -1.006 0.000 1.097 1115 D CA -0.133 53.485 54.000 -0.637 0.000 0.865 1115 D CB 0.713 41.304 40.800 -0.348 0.000 1.034 1115 D HN 0.808 nan 8.370 nan 0.000 0.511 1116 D N 2.611 122.528 120.400 -0.804 0.000 2.338 1116 D HA 0.016 4.658 4.640 0.003 0.000 0.239 1116 D C 1.295 177.457 176.300 -0.230 0.000 1.095 1116 D CA 0.511 54.208 54.000 -0.504 0.000 0.888 1116 D CB 0.142 40.851 40.800 -0.152 0.000 0.899 1116 D HN 0.655 nan 8.370 nan 0.000 0.525 1117 G N 0.138 108.800 108.800 -0.231 0.000 2.254 1117 G HA2 -0.335 3.627 3.960 0.003 0.000 0.225 1117 G HA3 -0.335 3.627 3.960 0.003 0.000 0.225 1117 G C 1.020 175.868 174.900 -0.086 0.000 1.003 1117 G CA 0.417 45.450 45.100 -0.112 0.000 0.622 1117 G HN 0.425 nan 8.290 nan 0.000 0.507 1118 S N 0.827 116.469 115.700 -0.097 0.000 2.595 1118 S HA 0.301 4.773 4.470 0.003 0.000 0.235 1118 S C 2.424 176.984 174.600 -0.066 0.000 0.974 1118 S CA 1.880 60.041 58.200 -0.066 0.000 0.942 1118 S CB -0.751 62.413 63.200 -0.059 0.000 0.766 1118 S HN 2.321 nan 8.310 nan 0.000 0.536 1119 G N 0.635 109.383 108.800 -0.086 0.000 2.238 1119 G HA2 -0.317 3.645 3.960 0.003 0.000 0.270 1119 G HA3 -0.317 3.645 3.960 0.003 0.000 0.270 1119 G C 0.158 175.019 174.900 -0.066 0.000 0.977 1119 G CA 0.933 45.990 45.100 -0.072 0.000 0.639 1119 G HN 0.575 nan 8.290 nan 0.000 0.544 1120 M N 0.801 120.361 119.600 -0.066 0.000 2.152 1120 M HA 0.398 4.880 4.480 0.003 0.000 0.354 1120 M C 0.468 176.732 176.300 -0.061 0.000 1.173 1120 M CA -0.754 54.515 55.300 -0.052 0.000 1.110 1120 M CB 1.370 33.947 32.600 -0.038 0.000 1.366 1120 M HN 0.074 nan 8.290 nan 0.000 0.415 1121 K N 3.163 123.529 120.400 -0.057 0.000 2.580 1121 K HA 0.147 4.469 4.320 0.003 0.000 0.278 1121 K C -0.438 176.144 176.600 -0.030 0.000 0.960 1121 K CA 0.980 57.235 56.287 -0.053 0.000 0.988 1121 K CB 0.531 33.010 32.500 -0.037 0.000 0.887 1121 K HN 0.708 nan 8.250 nan 0.000 0.509 1122 R N 1.181 121.674 120.500 -0.012 0.000 2.716 1122 R HA 0.197 4.539 4.340 0.003 0.000 0.271 1122 R C -1.155 175.170 176.300 0.042 0.000 1.028 1122 R CA -0.742 55.367 56.100 0.015 0.000 0.883 1122 R CB 0.912 31.226 30.300 0.023 0.000 1.250 1122 R HN 0.608 nan 8.270 nan 0.000 0.465 1123 E N 0.996 121.218 120.200 0.037 0.000 2.290 1123 E HA 0.300 4.652 4.350 0.003 0.000 0.277 1123 E C -0.603 176.031 176.600 0.056 0.000 1.035 1123 E CA 0.088 56.511 56.400 0.037 0.000 0.873 1123 E CB 1.442 31.154 29.700 0.021 0.000 1.029 1123 E HN 0.563 nan 8.360 nan 0.000 0.419 1124 A N 3.370 126.224 122.820 0.056 0.000 2.440 1124 A HA 0.419 4.741 4.320 0.003 0.000 0.251 1124 A C 0.371 177.937 177.584 -0.030 0.000 1.089 1124 A CA -0.362 51.688 52.037 0.021 0.000 0.779 1124 A CB 0.014 18.983 19.000 -0.051 0.000 1.022 1124 A HN 0.645 nan 8.150 nan 0.000 0.492 1125 T N -0.915 113.608 114.554 -0.051 0.000 2.952 1125 T HA 0.612 4.964 4.350 0.003 0.000 0.286 1125 T C 1.196 175.867 174.700 -0.048 0.000 1.024 1125 T CA -0.133 61.948 62.100 -0.031 0.000 1.029 1125 T CB 1.560 70.424 68.868 -0.007 0.000 1.094 1125 T HN 1.114 nan 8.240 nan 0.000 0.515 1126 A N 0.605 123.434 122.820 0.015 0.000 1.933 1126 A HA -0.076 4.246 4.320 0.003 0.000 0.218 1126 A C 1.921 179.556 177.584 0.085 0.000 1.175 1126 A CA 1.517 53.611 52.037 0.094 0.000 0.628 1126 A CB -0.955 18.108 19.000 0.106 0.000 0.814 1126 A HN 0.898 nan 8.150 nan 0.000 0.444 1127 D N 0.143 120.564 120.400 0.035 0.000 2.264 1127 D HA -0.108 4.534 4.640 0.003 0.000 0.208 1127 D C 1.089 177.381 176.300 -0.013 0.000 0.966 1127 D CA 1.003 55.025 54.000 0.037 0.000 0.864 1127 D CB -0.262 40.548 40.800 0.017 0.000 0.933 1127 D HN 0.413 nan 8.370 nan 0.000 0.499 1128 D N 0.466 120.801 120.400 -0.109 0.000 2.084 1128 D HA -0.104 4.538 4.640 0.003 0.000 0.194 1128 D C 2.223 178.325 176.300 -0.331 0.000 0.990 1128 D CA 0.317 54.161 54.000 -0.259 0.000 0.826 1128 D CB -0.048 40.374 40.800 -0.630 0.000 0.971 1128 D HN 0.150 nan 8.370 nan 0.000 0.453 1129 L N 0.942 121.954 121.223 -0.352 0.000 2.141 1129 L HA -0.070 4.272 4.340 0.003 0.000 0.209 1129 L C 2.496 179.281 176.870 -0.142 0.000 1.094 1129 L CA 0.799 55.403 54.840 -0.393 0.000 0.763 1129 L CB -0.808 40.873 42.059 -0.630 0.000 0.908 1129 L HN 0.093 nan 8.230 nan 0.000 0.437 1130 I N -0.009 120.622 120.570 0.101 0.000 2.179 1130 I HA -0.343 3.829 4.170 0.003 0.000 0.242 1130 I C 2.609 178.803 176.117 0.129 0.000 1.088 1130 I CA 1.182 62.618 61.300 0.228 0.000 1.357 1130 I CB -0.235 37.897 38.000 0.219 0.000 1.051 1130 I HN 0.185 nan 8.210 nan 0.000 0.409 1131 K N 1.214 121.664 120.400 0.082 0.000 2.063 1131 K HA -0.156 4.166 4.320 0.003 0.000 0.208 1131 K C 1.796 178.457 176.600 0.102 0.000 1.048 1131 K CA 1.773 58.118 56.287 0.097 0.000 0.928 1131 K CB -0.604 31.949 32.500 0.088 0.000 0.713 1131 K HN 0.157 nan 8.250 nan 0.000 0.442 1132 V N 0.069 120.003 119.914 0.033 0.000 2.233 1132 V HA -0.248 3.874 4.120 0.003 0.000 0.247 1132 V C 2.365 178.543 176.094 0.140 0.000 1.050 1132 V CA 1.982 64.308 62.300 0.043 0.000 1.010 1132 V CB -0.619 31.072 31.823 -0.221 0.000 0.637 1132 V HN 0.184 nan 8.190 nan 0.000 0.444 1133 V N 0.055 120.012 119.914 0.072 0.000 2.343 1133 V HA -0.254 3.868 4.120 0.003 0.000 0.247 1133 V C 2.591 178.779 176.094 0.157 0.000 1.051 1133 V CA 2.187 64.569 62.300 0.136 0.000 1.036 1133 V CB -0.710 31.203 31.823 0.149 0.000 0.654 1133 V HN 0.632 nan 8.190 nan 0.000 0.451 1134 E N 0.466 120.750 120.200 0.140 0.000 2.097 1134 E HA -0.253 4.099 4.350 0.003 0.000 0.196 1134 E C 2.214 178.869 176.600 0.093 0.000 1.000 1134 E CA 1.563 58.030 56.400 0.111 0.000 0.804 1134 E CB -0.281 29.481 29.700 0.103 0.000 0.740 1134 E HN 0.497 nan 8.360 nan 0.000 0.454 1135 E N 0.052 120.324 120.200 0.120 0.000 2.077 1135 E HA -0.147 4.205 4.350 0.003 0.000 0.193 1135 E C 2.200 178.830 176.600 0.049 0.000 0.989 1135 E CA 0.954 57.408 56.400 0.091 0.000 0.800 1135 E CB -0.237 29.552 29.700 0.149 0.000 0.746 1135 E HN 0.387 nan 8.360 nan 0.000 0.452 1136 L N 0.648 121.927 121.223 0.095 0.000 2.131 1136 L HA -0.164 4.178 4.340 0.003 0.000 0.210 1136 L C 2.644 179.571 176.870 0.094 0.000 1.092 1136 L CA 1.668 56.535 54.840 0.044 0.000 0.759 1136 L CB -0.762 41.363 42.059 0.110 0.000 0.903 1136 L HN 0.215 nan 8.230 nan 0.000 0.435 1137 T N -3.157 111.460 114.554 0.106 0.000 2.962 1137 T HA -0.113 4.239 4.350 0.003 0.000 0.270 1137 T C 1.820 176.465 174.700 -0.091 0.000 1.088 1137 T CA 0.396 62.537 62.100 0.068 0.000 1.127 1137 T CB -0.193 68.704 68.868 0.048 0.000 0.883 1137 T HN 0.170 nan 8.240 nan 0.000 0.493 1138 R N 1.513 121.983 120.500 -0.051 0.000 2.323 1138 R HA 0.247 4.589 4.340 0.003 0.000 0.198 1138 R C 2.167 178.431 176.300 -0.059 0.000 0.988 1138 R CA 0.386 56.437 56.100 -0.081 0.000 1.041 1138 R CB -1.032 29.237 30.300 -0.052 0.000 0.926 1138 R HN 0.774 nan 8.270 nan 0.000 0.476 1139 I N -1.010 119.562 120.570 0.003 0.000 3.564 1139 I HA 0.040 4.212 4.170 0.003 0.000 0.294 1139 I C 0.652 176.853 176.117 0.140 0.000 1.289 1139 I CA 0.301 61.633 61.300 0.052 0.000 1.325 1139 I CB -0.270 37.766 38.000 0.060 0.000 1.039 1139 I HN 0.012 nan 8.210 nan 0.000 0.474 1140 H N 0.000 119.082 119.070 0.019 0.000 2.539 1140 H HA 0.000 4.558 4.556 0.004 0.000 0.296 1140 H CA 0.000 56.059 56.048 0.018 0.000 1.023 1140 H CB 0.000 29.777 29.762 0.025 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496