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_B 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 SLVMQNLGET STPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NLQYDDGSGM KREATADDLI KVVEELTRIH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.832 176.300 -0.781 0.000 1.140 1 M CA 0.000 55.013 55.300 -0.478 0.000 0.988 1 M CB 0.000 32.454 32.600 -0.244 0.000 1.302 2 S N -0.196 114.969 115.700 -0.891 0.000 2.568 2 S HA 0.763 5.232 4.470 -0.002 0.000 0.302 2 S C -2.041 171.909 174.600 -1.084 0.000 1.082 2 S CA -0.363 57.367 58.200 -0.784 0.000 1.009 2 S CB 1.127 64.050 63.200 -0.462 0.000 1.069 2 S HN 0.295 nan 8.310 nan 0.000 0.500 3 Y N 2.670 122.799 120.300 -0.285 0.000 2.475 3 Y HA 0.464 5.013 4.550 -0.002 0.000 0.343 3 Y C 0.232 176.067 175.900 -0.108 0.000 1.068 3 Y CA -1.096 56.859 58.100 -0.242 0.000 1.307 3 Y CB 0.650 39.034 38.460 -0.126 0.000 1.097 3 Y HN 0.575 nan 8.280 nan 0.000 0.530 4 N N 1.307 119.931 118.700 -0.126 0.000 2.502 4 N HA 0.417 5.156 4.740 -0.002 0.000 0.280 4 N C -1.580 173.932 175.510 0.003 0.000 1.223 4 N CA -0.699 52.201 53.050 -0.251 0.000 0.966 4 N CB 2.207 40.176 38.487 -0.863 0.000 1.203 4 N HN 0.576 nan 8.380 nan 0.000 0.565 5 Y N 0.043 120.265 120.300 -0.130 0.000 2.362 5 Y HA 0.345 4.894 4.550 -0.002 0.000 0.326 5 Y C -1.392 174.506 175.900 -0.003 0.000 1.083 5 Y CA -0.742 57.342 58.100 -0.028 0.000 1.073 5 Y CB 0.856 39.308 38.460 -0.013 0.000 1.211 5 Y HN 0.208 nan 8.280 nan 0.000 0.433 6 V N 4.756 124.504 119.914 -0.277 0.000 2.581 6 V HA 0.882 5.001 4.120 -0.002 0.000 0.303 6 V C -0.819 175.083 176.094 -0.320 0.000 1.041 6 V CA -1.016 61.183 62.300 -0.170 0.000 0.907 6 V CB 1.286 32.996 31.823 -0.188 0.000 0.994 6 V HN 0.566 nan 8.190 nan 0.000 0.442 7 V N 1.819 121.629 119.914 -0.173 0.000 2.808 7 V HA 0.392 4.511 4.120 -0.002 0.000 0.308 7 V C 0.088 176.033 176.094 -0.249 0.000 1.099 7 V CA -0.420 61.736 62.300 -0.241 0.000 0.920 7 V CB 2.370 34.026 31.823 -0.277 0.000 1.014 7 V HN 0.986 nan 8.190 nan 0.000 0.425 8 T N 3.482 117.926 114.554 -0.184 0.000 2.834 8 T HA 0.383 4.732 4.350 -0.002 0.000 0.298 8 T C 0.979 175.521 174.700 -0.262 0.000 0.966 8 T CA 0.610 62.616 62.100 -0.156 0.000 1.141 8 T CB 1.468 70.315 68.868 -0.034 0.000 0.905 8 T HN 0.944 nan 8.240 nan 0.000 0.535 9 A N 3.170 125.850 122.820 -0.234 0.000 2.035 9 A HA 0.289 4.608 4.320 -0.002 0.000 0.208 9 A C 0.925 178.508 177.584 -0.001 0.000 1.206 9 A CA 0.287 52.251 52.037 -0.121 0.000 0.773 9 A CB 0.223 19.151 19.000 -0.120 0.000 0.878 9 A HN 0.598 nan 8.150 nan 0.000 0.469 10 Q N 0.625 120.396 119.800 -0.049 0.000 2.263 10 Q HA 0.421 4.760 4.340 -0.002 0.000 0.266 10 Q C -1.262 174.726 176.000 -0.019 0.000 1.002 10 Q CA -0.347 55.444 55.803 -0.021 0.000 0.790 10 Q CB 1.032 29.751 28.738 -0.030 0.000 1.272 10 Q HN 0.292 nan 8.270 nan 0.000 0.435 11 K N 4.264 124.664 120.400 0.001 0.000 2.276 11 K HA 0.306 4.625 4.320 -0.002 0.000 0.259 11 K C -2.246 174.359 176.600 0.008 0.000 1.001 11 K CA -1.548 54.745 56.287 0.010 0.000 0.927 11 K CB 0.094 32.602 32.500 0.014 0.000 0.969 11 K HN 0.510 nan 8.250 nan 0.000 0.490 12 P HA -0.098 nan 4.420 nan 0.000 0.265 12 P C 0.235 177.540 177.300 0.007 0.000 1.187 12 P CA 0.475 63.583 63.100 0.012 0.000 0.766 12 P CB 0.580 32.288 31.700 0.014 0.000 0.820 13 T N -0.954 113.603 114.554 0.006 0.000 2.987 13 T HA 0.339 4.688 4.350 -0.002 0.000 0.248 13 T C 0.881 175.591 174.700 0.017 0.000 0.997 13 T CA 0.073 62.180 62.100 0.012 0.000 1.013 13 T CB -0.335 68.540 68.868 0.011 0.000 1.077 13 T HN 0.405 nan 8.240 nan 0.000 0.483 14 A N 1.618 124.440 122.820 0.002 0.000 2.507 14 A HA 0.537 4.856 4.320 -0.002 0.000 0.235 14 A C 0.062 177.650 177.584 0.007 0.000 1.070 14 A CA -0.198 51.837 52.037 -0.003 0.000 0.768 14 A CB 0.042 19.028 19.000 -0.023 0.000 1.011 14 A HN 0.402 nan 8.150 nan 0.000 0.502 15 V N 3.317 123.238 119.914 0.012 0.000 2.384 15 V HA 0.193 4.312 4.120 -0.002 0.000 0.287 15 V C 0.591 176.685 176.094 0.000 0.000 1.020 15 V CA -0.649 61.669 62.300 0.031 0.000 0.850 15 V CB 1.237 33.114 31.823 0.089 0.000 0.987 15 V HN 0.991 nan 8.190 nan 0.000 0.436 16 N N 3.234 121.928 118.700 -0.009 0.000 2.368 16 N HA 0.135 4.874 4.740 -0.002 0.000 0.176 16 N C 0.647 176.143 175.510 -0.024 0.000 1.021 16 N CA 0.860 53.892 53.050 -0.030 0.000 0.888 16 N CB 1.049 39.505 38.487 -0.051 0.000 0.995 16 N HN 0.783 nan 8.380 nan 0.000 0.437 17 G N -0.044 108.754 108.800 -0.004 0.000 2.720 17 G HA2 0.488 4.447 3.960 -0.002 0.000 0.295 17 G HA3 0.488 4.447 3.960 -0.002 0.000 0.295 17 G C -1.438 173.488 174.900 0.044 0.000 1.437 17 G CA -0.511 44.590 45.100 0.002 0.000 0.886 17 G HN 0.240 nan 8.290 nan 0.000 0.509 18 C N 0.116 119.454 119.300 0.063 0.000 2.752 18 C HA 0.856 5.315 4.460 -0.002 0.000 0.360 18 C C -0.460 174.569 174.990 0.063 0.000 1.081 18 C CA -0.800 58.281 59.018 0.104 0.000 1.272 18 C CB 0.660 28.589 27.740 0.316 0.000 1.754 18 C HN 0.946 nan 8.230 nan 0.000 0.483 19 V N 2.115 122.041 119.914 0.020 0.000 3.229 19 V HA 0.936 5.055 4.120 -0.002 0.000 0.310 19 V C -0.153 175.937 176.094 -0.007 0.000 1.206 19 V CA 0.110 62.418 62.300 0.013 0.000 1.051 19 V CB 2.456 34.279 31.823 0.001 0.000 1.183 19 V HN 1.199 nan 8.190 nan 0.000 0.466 20 T N 0.189 114.738 114.554 -0.008 0.000 2.923 20 T HA 0.812 5.161 4.350 -0.002 0.000 0.311 20 T C -0.399 174.254 174.700 -0.079 0.000 1.183 20 T CA 0.418 62.489 62.100 -0.048 0.000 1.020 20 T CB 1.138 69.991 68.868 -0.026 0.000 1.165 20 T HN 1.524 nan 8.240 nan 0.000 0.482 21 G N 2.141 110.828 108.800 -0.188 0.000 2.441 21 G HA2 0.367 4.326 3.960 -0.002 0.000 0.225 21 G HA3 0.367 4.326 3.960 -0.002 0.000 0.225 21 G C -1.898 172.646 174.900 -0.594 0.000 1.200 21 G CA -0.617 44.289 45.100 -0.324 0.000 0.947 21 G HN 0.769 nan 8.290 nan 0.000 0.484 22 H N -0.078 119.044 119.070 0.086 0.000 2.569 22 H HA 0.494 5.049 4.556 -0.002 0.000 0.247 22 H C -0.060 175.330 175.328 0.102 0.000 1.346 22 H CA -0.516 55.569 56.048 0.062 0.000 1.502 22 H CB 1.109 30.890 29.762 0.032 0.000 1.512 22 H HN 0.298 nan 8.280 nan 0.000 0.502 23 F N 0.791 120.714 119.950 -0.045 0.000 2.343 23 F HA 0.010 4.536 4.527 -0.002 0.000 0.286 23 F C 2.007 177.691 175.800 -0.193 0.000 1.057 23 F CA 0.853 58.806 58.000 -0.077 0.000 1.365 23 F CB 0.287 39.239 39.000 -0.080 0.000 1.114 23 F HN 0.311 nan 8.300 nan 0.000 0.545 24 T N -0.998 113.348 114.554 -0.345 0.000 2.821 24 T HA -0.099 4.250 4.350 -0.002 0.000 0.267 24 T C 1.669 176.154 174.700 -0.358 0.000 1.046 24 T CA 1.680 63.342 62.100 -0.730 0.000 1.139 24 T CB -0.199 68.330 68.868 -0.566 0.000 0.871 24 T HN 0.326 nan 8.240 nan 0.000 0.454 25 S N -2.122 113.480 115.700 -0.163 0.000 4.569 25 S HA 0.642 5.111 4.470 -0.002 0.000 0.161 25 S C 0.560 175.146 174.600 -0.024 0.000 1.104 25 S CA 0.694 58.849 58.200 -0.075 0.000 1.153 25 S CB 0.067 63.237 63.200 -0.049 0.000 2.018 25 S HN 0.347 nan 8.310 nan 0.000 0.800 26 A N 0.580 123.406 122.820 0.010 0.000 1.902 26 A HA 0.213 4.532 4.320 -0.002 0.000 0.171 26 A C 0.738 178.312 177.584 -0.017 0.000 2.094 26 A CA 0.797 52.830 52.037 -0.008 0.000 1.626 26 A CB -0.883 18.087 19.000 -0.050 0.000 1.568 26 A HN 0.622 nan 8.150 nan 0.000 0.280 27 E N 0.593 120.793 120.200 0.001 0.000 2.476 27 E HA 0.169 4.518 4.350 -0.002 0.000 0.191 27 E C -0.733 175.899 176.600 0.052 0.000 1.064 27 E CA 0.028 56.435 56.400 0.012 0.000 0.866 27 E CB 0.077 29.775 29.700 -0.003 0.000 0.952 27 E HN 0.411 nan 8.360 nan 0.000 0.492 28 D N 1.433 121.883 120.400 0.083 0.000 2.185 28 D HA 0.252 4.891 4.640 -0.002 0.000 0.247 28 D C -1.063 175.308 176.300 0.118 0.000 1.027 28 D CA -0.712 53.327 54.000 0.064 0.000 0.861 28 D CB 2.265 43.060 40.800 -0.008 0.000 1.202 28 D HN 0.036 nan 8.370 nan 0.000 0.453 29 L N 3.227 124.473 121.223 0.038 0.000 2.265 29 L HA 0.331 4.670 4.340 -0.002 0.000 0.289 29 L C -0.677 176.147 176.870 -0.076 0.000 1.033 29 L CA -0.342 54.471 54.840 -0.046 0.000 0.814 29 L CB 0.442 42.482 42.059 -0.032 0.000 1.203 29 L HN 0.162 nan 8.230 nan 0.000 0.423 30 N N 4.516 123.143 118.700 -0.123 0.000 2.384 30 N HA 0.544 5.283 4.740 -0.002 0.000 0.301 30 N C -1.474 173.985 175.510 -0.086 0.000 1.133 30 N CA -0.495 52.510 53.050 -0.075 0.000 0.853 30 N CB 2.421 40.887 38.487 -0.034 0.000 1.241 30 N HN 0.480 nan 8.380 nan 0.000 0.502 31 L N 1.918 123.107 121.223 -0.057 0.000 2.372 31 L HA 0.513 4.852 4.340 -0.002 0.000 0.274 31 L C -1.790 175.053 176.870 -0.044 0.000 0.988 31 L CA -0.567 54.214 54.840 -0.097 0.000 0.833 31 L CB 1.043 42.972 42.059 -0.216 0.000 1.236 31 L HN 0.305 nan 8.230 nan 0.000 0.410 32 L N 6.615 127.795 121.223 -0.072 0.000 2.298 32 L HA 0.564 4.903 4.340 -0.002 0.000 0.284 32 L C -0.310 176.526 176.870 -0.057 0.000 1.013 32 L CA 0.066 54.865 54.840 -0.070 0.000 0.824 32 L CB 1.388 43.359 42.059 -0.146 0.000 1.221 32 L HN 0.487 nan 8.230 nan 0.000 0.418 33 I N 2.310 122.862 120.570 -0.029 0.000 2.525 33 I HA 0.755 4.924 4.170 -0.002 0.000 0.301 33 I C 0.118 176.228 176.117 -0.011 0.000 0.992 33 I CA -0.813 60.483 61.300 -0.007 0.000 1.162 33 I CB 1.942 39.934 38.000 -0.015 0.000 1.332 33 I HN 0.647 nan 8.210 nan 0.000 0.458 34 A N 5.205 128.022 122.820 -0.004 0.000 2.304 34 A HA 0.562 4.881 4.320 -0.002 0.000 0.314 34 A C -0.023 177.550 177.584 -0.017 0.000 1.187 34 A CA -0.619 51.399 52.037 -0.032 0.000 0.810 34 A CB 1.178 20.144 19.000 -0.056 0.000 1.183 34 A HN 0.779 nan 8.150 nan 0.000 0.487 35 K N 0.944 121.329 120.400 -0.025 0.000 2.260 35 K HA 0.063 4.382 4.320 -0.002 0.000 0.191 35 K C 1.481 178.059 176.600 -0.038 0.000 1.076 35 K CA 1.640 57.916 56.287 -0.017 0.000 1.077 35 K CB -0.110 32.387 32.500 -0.005 0.000 1.423 35 K HN 0.759 nan 8.250 nan 0.000 0.462 36 N N -1.599 117.074 118.700 -0.045 0.000 3.326 36 N HA -0.052 4.687 4.740 -0.002 0.000 0.234 36 N C 0.910 176.371 175.510 -0.082 0.000 1.050 36 N CA 1.456 54.468 53.050 -0.065 0.000 1.141 36 N CB -0.168 38.295 38.487 -0.041 0.000 1.551 36 N HN 0.283 nan 8.380 nan 0.000 0.630 37 T N -1.293 113.223 114.554 -0.063 0.000 3.122 37 T HA 0.428 4.777 4.350 -0.002 0.000 0.250 37 T C 0.287 174.927 174.700 -0.101 0.000 1.067 37 T CA -0.295 61.734 62.100 -0.118 0.000 0.966 37 T CB 0.127 68.936 68.868 -0.099 0.000 1.002 37 T HN -0.047 nan 8.240 nan 0.000 0.542 38 R N 0.996 121.455 120.500 -0.069 0.000 2.604 38 R HA 0.669 5.008 4.340 -0.002 0.000 0.287 38 R C -1.257 175.000 176.300 -0.073 0.000 0.970 38 R CA -1.142 54.921 56.100 -0.062 0.000 0.946 38 R CB 1.740 32.020 30.300 -0.034 0.000 1.127 38 R HN 0.265 nan 8.270 nan 0.000 0.473 39 L N 1.708 122.883 121.223 -0.080 0.000 2.372 39 L HA 0.376 4.715 4.340 -0.002 0.000 0.273 39 L C -0.676 176.145 176.870 -0.082 0.000 0.989 39 L CA -0.043 54.746 54.840 -0.084 0.000 0.841 39 L CB 1.488 43.485 42.059 -0.105 0.000 1.225 39 L HN 0.529 nan 8.230 nan 0.000 0.414 40 E N 6.055 126.215 120.200 -0.066 0.000 2.156 40 E HA 0.481 4.830 4.350 -0.002 0.000 0.279 40 E C -0.942 175.581 176.600 -0.128 0.000 0.965 40 E CA -0.430 55.898 56.400 -0.119 0.000 0.789 40 E CB 2.128 31.825 29.700 -0.004 0.000 1.098 40 E HN 0.524 nan 8.360 nan 0.000 0.397 41 I N 3.988 124.399 120.570 -0.265 0.000 2.355 41 I HA 0.301 4.470 4.170 -0.002 0.000 0.288 41 I C -0.909 175.026 176.117 -0.303 0.000 0.999 41 I CA -0.671 60.533 61.300 -0.160 0.000 1.163 41 I CB 0.351 38.337 38.000 -0.024 0.000 1.316 41 I HN 0.445 nan 8.210 nan 0.000 0.454 42 Y N 4.723 124.948 120.300 -0.124 0.000 2.621 42 Y HA 0.626 5.175 4.550 -0.002 0.000 0.334 42 Y C -0.013 175.818 175.900 -0.114 0.000 1.074 42 Y CA -1.148 56.876 58.100 -0.127 0.000 1.149 42 Y CB 1.575 39.927 38.460 -0.180 0.000 1.302 42 Y HN 0.102 nan 8.280 nan 0.000 0.501 43 V N 2.239 122.199 119.914 0.077 0.000 2.448 43 V HA 0.316 4.435 4.120 -0.002 0.000 0.295 43 V C -0.656 175.442 176.094 0.007 0.000 1.025 43 V CA -1.084 61.222 62.300 0.009 0.000 0.859 43 V CB 1.515 33.331 31.823 -0.012 0.000 0.988 43 V HN 0.531 nan 8.190 nan 0.000 0.431 44 V N 5.006 124.905 119.914 -0.024 0.000 2.479 44 V HA 0.339 4.458 4.120 -0.002 0.000 0.281 44 V C 0.428 176.508 176.094 -0.023 0.000 1.031 44 V CA 0.378 62.654 62.300 -0.040 0.000 1.038 44 V CB 0.662 32.446 31.823 -0.066 0.000 0.981 44 V HN 1.016 nan 8.190 nan 0.000 0.478 45 T N 3.507 118.051 114.554 -0.017 0.000 2.991 45 T HA 0.583 4.932 4.350 -0.002 0.000 0.303 45 T C 1.014 175.709 174.700 -0.008 0.000 1.015 45 T CA 0.208 62.303 62.100 -0.008 0.000 1.007 45 T CB 1.791 70.660 68.868 0.002 0.000 1.034 45 T HN 0.932 nan 8.240 nan 0.000 0.446 46 A N 3.372 126.187 122.820 -0.008 0.000 1.745 46 A HA -0.373 3.946 4.320 -0.002 0.000 0.339 46 A C 2.180 179.761 177.584 -0.005 0.000 4.536 46 A CA 2.907 54.941 52.037 -0.006 0.000 1.018 46 A CB -1.334 17.666 19.000 0.000 0.000 0.591 46 A HN 0.947 nan 8.150 nan 0.000 0.481 47 E N 0.451 120.652 120.200 0.001 0.000 2.004 47 E HA 0.309 4.658 4.350 -0.002 0.000 0.194 47 E C 1.307 177.912 176.600 0.008 0.000 0.981 47 E CA 1.161 57.564 56.400 0.005 0.000 0.842 47 E CB -1.112 28.595 29.700 0.011 0.000 0.796 47 E HN 1.081 nan 8.360 nan 0.000 0.477 48 G N 0.368 109.179 108.800 0.018 0.000 3.140 48 G HA2 0.483 4.442 3.960 -0.002 0.000 0.271 48 G HA3 0.483 4.442 3.960 -0.002 0.000 0.271 48 G C -0.525 174.385 174.900 0.017 0.000 1.370 48 G CA -0.828 44.289 45.100 0.028 0.000 1.014 48 G HN 0.086 nan 8.290 nan 0.000 0.541 49 L N 0.228 121.451 121.223 0.000 0.000 2.483 49 L HA 0.313 4.652 4.340 -0.002 0.000 0.275 49 L C 0.806 177.738 176.870 0.103 0.000 1.220 49 L CA 0.379 55.212 54.840 -0.012 0.000 0.833 49 L CB 0.810 42.712 42.059 -0.262 0.000 1.102 49 L HN 0.635 nan 8.230 nan 0.000 0.490 50 R N 3.731 124.318 120.500 0.144 0.000 2.358 50 R HA 0.379 4.718 4.340 -0.002 0.000 0.309 50 R C -2.496 173.850 176.300 0.078 0.000 1.026 50 R CA -1.609 54.549 56.100 0.097 0.000 0.909 50 R CB 1.242 31.567 30.300 0.042 0.000 1.153 50 R HN 0.292 nan 8.270 nan 0.000 0.515 51 P HA -0.094 nan 4.420 nan 0.000 0.260 51 P C 0.556 177.759 177.300 -0.161 0.000 1.207 51 P CA 0.041 63.009 63.100 -0.219 0.000 0.780 51 P CB 1.086 32.693 31.700 -0.156 0.000 0.789 52 V N 1.412 121.210 119.914 -0.194 0.000 2.806 52 V HA 0.387 4.506 4.120 -0.002 0.000 0.239 52 V C 0.364 176.432 176.094 -0.044 0.000 1.113 52 V CA 0.994 63.252 62.300 -0.070 0.000 1.137 52 V CB -0.247 31.565 31.823 -0.018 0.000 0.865 52 V HN 0.304 nan 8.190 nan 0.000 0.482 53 K N 0.376 120.724 120.400 -0.087 0.000 2.572 53 K HA 0.443 4.762 4.320 -0.002 0.000 0.263 53 K C -1.453 175.077 176.600 -0.116 0.000 0.932 53 K CA -0.301 55.954 56.287 -0.053 0.000 0.838 53 K CB 1.969 34.510 32.500 0.068 0.000 1.366 53 K HN 0.470 nan 8.250 nan 0.000 0.425 54 E N 3.516 123.650 120.200 -0.111 0.000 2.165 54 E HA 0.506 4.855 4.350 -0.002 0.000 0.266 54 E C -1.279 175.276 176.600 -0.074 0.000 0.889 54 E CA -0.892 55.440 56.400 -0.114 0.000 0.756 54 E CB 1.570 31.201 29.700 -0.116 0.000 1.131 54 E HN 0.359 nan 8.360 nan 0.000 0.411 55 V N 3.405 123.276 119.914 -0.071 0.000 2.555 55 V HA 0.571 4.690 4.120 -0.002 0.000 0.302 55 V C 0.450 176.491 176.094 -0.088 0.000 1.038 55 V CA -0.510 61.746 62.300 -0.073 0.000 0.887 55 V CB 1.833 33.618 31.823 -0.063 0.000 0.991 55 V HN 0.768 nan 8.190 nan 0.000 0.434 56 G N 4.458 113.201 108.800 -0.096 0.000 2.389 56 G HA2 0.709 4.668 3.960 -0.002 0.000 0.317 56 G HA3 0.709 4.668 3.960 -0.002 0.000 0.317 56 G C -0.808 173.979 174.900 -0.188 0.000 1.137 56 G CA -0.579 44.461 45.100 -0.099 0.000 0.870 56 G HN 0.524 nan 8.290 nan 0.000 0.496 57 M N 0.965 120.434 119.600 -0.218 0.000 2.393 57 M HA 0.214 4.693 4.480 -0.002 0.000 0.299 57 M C -1.241 174.802 176.300 -0.427 0.000 1.103 57 M CA -0.794 54.306 55.300 -0.332 0.000 0.910 57 M CB 2.809 35.238 32.600 -0.284 0.000 1.659 57 M HN 0.474 nan 8.290 nan 0.000 0.445 58 Y N 1.676 121.643 120.300 -0.555 0.000 2.604 58 Y HA 0.479 5.028 4.550 -0.002 0.000 0.341 58 Y C 0.966 176.048 175.900 -1.362 0.000 1.249 58 Y CA -0.281 57.138 58.100 -1.136 0.000 1.926 58 Y CB -1.065 37.150 38.460 -0.409 0.000 1.941 58 Y HN 0.768 nan 8.280 nan 0.000 0.426 59 G N 0.698 108.541 108.800 -1.595 0.000 2.340 59 G HA2 0.195 4.154 3.960 -0.002 0.000 0.300 59 G HA3 0.195 4.154 3.960 -0.002 0.000 0.300 59 G C -1.468 173.097 174.900 -0.560 0.000 1.488 59 G CA -1.367 43.137 45.100 -0.993 0.000 0.878 59 G HN 0.103 nan 8.290 nan 0.000 0.618 60 K N 0.408 120.684 120.400 -0.207 0.000 2.234 60 K HA 0.453 4.772 4.320 -0.002 0.000 0.282 60 K C 0.187 176.690 176.600 -0.161 0.000 1.039 60 K CA -0.412 55.799 56.287 -0.127 0.000 0.928 60 K CB 1.748 34.220 32.500 -0.047 0.000 1.039 60 K HN 0.365 nan 8.250 nan 0.000 0.470 61 I N 2.794 123.267 120.570 -0.161 0.000 2.452 61 I HA -0.019 4.150 4.170 -0.002 0.000 0.287 61 I C 0.947 176.974 176.117 -0.151 0.000 1.079 61 I CA 0.214 61.413 61.300 -0.167 0.000 1.387 61 I CB 1.181 39.089 38.000 -0.153 0.000 1.404 61 I HN 0.819 nan 8.210 nan 0.000 0.522 62 A N 6.174 128.892 122.820 -0.169 0.000 2.026 62 A HA 0.364 4.683 4.320 -0.002 0.000 0.201 62 A C 0.520 178.026 177.584 -0.129 0.000 1.318 62 A CA 0.316 52.264 52.037 -0.148 0.000 0.857 62 A CB 0.593 19.488 19.000 -0.175 0.000 0.939 62 A HN 0.433 nan 8.150 nan 0.000 0.476 63 V N 0.627 120.442 119.914 -0.165 0.000 2.531 63 V HA 0.577 4.696 4.120 -0.002 0.000 0.301 63 V C -0.671 175.316 176.094 -0.178 0.000 1.034 63 V CA -0.137 62.084 62.300 -0.130 0.000 0.865 63 V CB 1.418 33.188 31.823 -0.088 0.000 0.995 63 V HN 0.517 nan 8.190 nan 0.000 0.424 64 M N 4.784 124.331 119.600 -0.088 0.000 2.122 64 M HA 0.561 5.040 4.480 -0.002 0.000 0.269 64 M C -1.756 174.545 176.300 0.001 0.000 0.954 64 M CA -0.122 55.129 55.300 -0.081 0.000 0.998 64 M CB 1.348 33.889 32.600 -0.097 0.000 1.755 64 M HN 0.627 nan 8.290 nan 0.000 0.459 65 E N 4.638 124.881 120.200 0.072 0.000 2.308 65 E HA 0.491 4.840 4.350 -0.002 0.000 0.275 65 E C -1.487 175.235 176.600 0.204 0.000 0.890 65 E CA -0.619 55.850 56.400 0.115 0.000 0.754 65 E CB 2.990 32.760 29.700 0.115 0.000 1.207 65 E HN 0.732 nan 8.360 nan 0.000 0.426 66 L N 2.669 124.017 121.223 0.208 0.000 2.399 66 L HA 0.609 4.948 4.340 -0.002 0.000 0.265 66 L C -0.083 177.076 176.870 0.483 0.000 1.089 66 L CA -0.753 54.277 54.840 0.317 0.000 0.802 66 L CB 0.414 42.574 42.059 0.167 0.000 1.180 66 L HN 0.522 nan 8.230 nan 0.000 0.454 67 F N -0.502 119.524 119.950 0.127 0.000 2.672 67 F HA 0.524 5.050 4.527 -0.002 0.000 0.311 67 F C -0.875 174.997 175.800 0.120 0.000 1.113 67 F CA -1.138 56.929 58.000 0.112 0.000 0.996 67 F CB 1.448 40.496 39.000 0.081 0.000 1.286 67 F HN 0.263 nan 8.300 nan 0.000 0.441 68 R N 3.651 124.153 120.500 0.003 0.000 2.335 68 R HA 0.517 4.856 4.340 -0.002 0.000 0.302 68 R C -2.722 173.546 176.300 -0.053 0.000 1.147 68 R CA -1.622 54.426 56.100 -0.087 0.000 1.111 68 R CB 0.930 31.237 30.300 0.013 0.000 1.122 68 R HN 0.474 nan 8.270 nan 0.000 0.557 69 P HA -0.009 nan 4.420 nan 0.000 0.272 69 P C -0.985 176.309 177.300 -0.010 0.000 1.254 69 P CA -0.214 62.874 63.100 -0.020 0.000 0.795 69 P CB 0.592 32.269 31.700 -0.037 0.000 1.022 70 K N 0.860 121.268 120.400 0.014 0.000 2.378 70 K HA 0.379 4.698 4.320 -0.002 0.000 0.288 70 K C 0.903 177.504 176.600 0.002 0.000 1.057 70 K CA 0.488 56.782 56.287 0.011 0.000 0.971 70 K CB -0.478 32.035 32.500 0.020 0.000 0.975 70 K HN 0.805 nan 8.250 nan 0.000 0.475 71 G N 2.048 110.846 108.800 -0.004 0.000 2.131 71 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.223 71 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.223 71 G C -0.355 174.534 174.900 -0.018 0.000 0.990 71 G CA -0.438 44.657 45.100 -0.008 0.000 0.671 71 G HN 0.553 nan 8.290 nan 0.000 0.521 72 E N 0.253 120.436 120.200 -0.029 0.000 2.187 72 E HA 0.483 4.832 4.350 -0.002 0.000 0.268 72 E C 1.451 178.027 176.600 -0.040 0.000 0.896 72 E CA 0.136 56.511 56.400 -0.042 0.000 0.766 72 E CB 1.483 31.140 29.700 -0.072 0.000 1.142 72 E HN 0.281 nan 8.360 nan 0.000 0.408 73 S N 2.999 118.675 115.700 -0.039 0.000 2.382 73 S HA -0.147 4.322 4.470 -0.002 0.000 0.228 73 S C 0.724 175.300 174.600 -0.040 0.000 1.027 73 S CA 0.960 59.137 58.200 -0.037 0.000 0.991 73 S CB -0.180 62.999 63.200 -0.035 0.000 0.823 73 S HN 0.496 nan 8.310 nan 0.000 0.469 74 K N 0.077 120.449 120.400 -0.048 0.000 2.495 74 K HA 0.544 4.863 4.320 -0.002 0.000 0.268 74 K C -1.960 174.621 176.600 -0.032 0.000 1.008 74 K CA -1.122 55.145 56.287 -0.034 0.000 0.882 74 K CB 0.501 32.968 32.500 -0.054 0.000 1.443 74 K HN -0.247 nan 8.250 nan 0.000 0.447 75 D N 0.834 121.259 120.400 0.042 0.000 2.419 75 D HA 0.146 4.785 4.640 -0.002 0.000 0.236 75 D C -0.237 176.118 176.300 0.092 0.000 1.165 75 D CA 0.258 54.297 54.000 0.065 0.000 0.882 75 D CB 0.428 41.351 40.800 0.206 0.000 1.201 75 D HN 0.313 nan 8.370 nan 0.000 0.443 76 L N 1.050 122.211 121.223 -0.104 0.000 2.319 76 L HA 0.470 4.809 4.340 -0.002 0.000 0.267 76 L C -0.568 176.485 176.870 0.305 0.000 1.011 76 L CA -1.229 53.610 54.840 -0.001 0.000 0.818 76 L CB 1.481 43.260 42.059 -0.467 0.000 1.316 76 L HN 0.125 nan 8.230 nan 0.000 0.432 77 L N 1.668 123.172 121.223 0.468 0.000 2.313 77 L HA 0.500 4.839 4.340 -0.002 0.000 0.283 77 L C -1.082 176.035 176.870 0.412 0.000 1.013 77 L CA -0.063 54.962 54.840 0.308 0.000 0.816 77 L CB 1.325 43.280 42.059 -0.173 0.000 1.236 77 L HN 0.317 nan 8.230 nan 0.000 0.419 78 F N 6.544 126.601 119.950 0.179 0.000 2.415 78 F HA 0.662 5.188 4.527 -0.002 0.000 0.348 78 F C -0.862 174.915 175.800 -0.039 0.000 1.119 78 F CA -0.803 57.208 58.000 0.018 0.000 1.069 78 F CB 0.738 39.616 39.000 -0.204 0.000 1.124 78 F HN 0.238 nan 8.300 nan 0.000 0.472 79 I N 7.139 127.258 120.570 -0.751 0.000 2.569 79 I HA 0.413 4.582 4.170 -0.002 0.000 0.296 79 I C -1.445 174.161 176.117 -0.851 0.000 1.028 79 I CA -1.008 59.909 61.300 -0.639 0.000 1.082 79 I CB 1.731 39.534 38.000 -0.329 0.000 1.264 79 I HN 0.492 nan 8.210 nan 0.000 0.429 80 L N 5.014 125.878 121.223 -0.597 0.000 2.404 80 L HA 0.501 4.840 4.340 -0.002 0.000 0.272 80 L C -0.017 176.691 176.870 -0.270 0.000 0.980 80 L CA 0.066 54.650 54.840 -0.425 0.000 0.836 80 L CB 1.738 43.587 42.059 -0.350 0.000 1.238 80 L HN 0.602 nan 8.230 nan 0.000 0.408 81 T N 3.346 117.774 114.554 -0.210 0.000 2.860 81 T HA 0.327 4.676 4.350 -0.002 0.000 0.299 81 T C 1.387 175.943 174.700 -0.241 0.000 1.045 81 T CA 0.319 62.313 62.100 -0.176 0.000 1.071 81 T CB 1.361 70.181 68.868 -0.080 0.000 0.985 81 T HN 0.762 nan 8.240 nan 0.000 0.537 82 A N 1.697 124.395 122.820 -0.202 0.000 2.067 82 A HA -0.017 4.302 4.320 -0.002 0.000 0.219 82 A C 1.892 179.253 177.584 -0.372 0.000 1.158 82 A CA 1.068 52.948 52.037 -0.262 0.000 0.661 82 A CB -0.289 18.648 19.000 -0.104 0.000 0.801 82 A HN 0.744 nan 8.150 nan 0.000 0.452 83 K N -1.610 118.689 120.400 -0.169 0.000 2.476 83 K HA 0.174 4.493 4.320 -0.002 0.000 0.196 83 K C -0.902 175.779 176.600 0.136 0.000 1.025 83 K CA -0.073 56.202 56.287 -0.020 0.000 1.138 83 K CB -0.153 32.400 32.500 0.087 0.000 0.860 83 K HN 0.544 nan 8.250 nan 0.000 0.515 84 Y N -1.339 119.005 120.300 0.075 0.000 4.366 84 Y HA -0.263 4.286 4.550 -0.002 0.000 0.236 84 Y C -0.693 175.225 175.900 0.029 0.000 1.142 84 Y CA -0.169 57.960 58.100 0.047 0.000 2.024 84 Y CB -2.612 35.893 38.460 0.074 0.000 1.621 84 Y HN 0.200 nan 8.280 nan 0.000 0.694 85 N N 1.150 119.899 118.700 0.082 0.000 2.419 85 N HA 0.658 5.397 4.740 -0.002 0.000 0.264 85 N C -0.182 175.311 175.510 -0.029 0.000 1.031 85 N CA 0.241 53.318 53.050 0.044 0.000 0.951 85 N CB 1.330 39.848 38.487 0.050 0.000 1.101 85 N HN 0.394 nan 8.380 nan 0.000 0.488 86 A N 1.130 123.954 122.820 0.007 0.000 2.356 86 A HA 0.877 5.196 4.320 -0.002 0.000 0.323 86 A C -0.350 177.265 177.584 0.051 0.000 1.119 86 A CA -0.653 51.369 52.037 -0.025 0.000 0.790 86 A CB 0.489 19.581 19.000 0.153 0.000 1.273 86 A HN 0.945 nan 8.150 nan 0.000 0.452 87 C N -0.056 119.263 119.300 0.030 0.000 3.292 87 C HA 0.735 5.194 4.460 -0.002 0.000 0.338 87 C C -1.548 173.581 174.990 0.232 0.000 1.323 87 C CA -0.874 58.231 59.018 0.144 0.000 1.232 87 C CB 0.385 28.173 27.740 0.079 0.000 1.517 87 C HN 0.688 nan 8.230 nan 0.000 0.470 88 I N 2.261 122.990 120.570 0.265 0.000 2.436 88 I HA 0.630 4.799 4.170 -0.002 0.000 0.289 88 I C -0.244 176.019 176.117 0.244 0.000 1.010 88 I CA -0.562 60.942 61.300 0.340 0.000 1.098 88 I CB 1.154 39.374 38.000 0.365 0.000 1.266 88 I HN 0.706 nan 8.210 nan 0.000 0.434 89 L N 4.861 126.245 121.223 0.268 0.000 2.319 89 L HA 0.659 4.998 4.340 -0.002 0.000 0.267 89 L C -0.046 177.029 176.870 0.341 0.000 1.011 89 L CA -0.637 54.354 54.840 0.253 0.000 0.818 89 L CB 2.379 44.579 42.059 0.234 0.000 1.316 89 L HN 0.573 nan 8.230 nan 0.000 0.432 90 E N 0.431 120.773 120.200 0.238 0.000 2.308 90 E HA 0.248 4.597 4.350 -0.002 0.000 0.275 90 E C -1.941 174.616 176.600 -0.072 0.000 0.890 90 E CA -0.706 55.731 56.400 0.060 0.000 0.754 90 E CB 2.347 32.045 29.700 -0.003 0.000 1.207 90 E HN 0.458 nan 8.360 nan 0.000 0.426 91 Y N 3.410 123.345 120.300 -0.609 0.000 2.319 91 Y HA 0.280 4.829 4.550 -0.002 0.000 0.328 91 Y C -0.315 175.421 175.900 -0.272 0.000 1.133 91 Y CA 0.263 58.067 58.100 -0.494 0.000 1.265 91 Y CB 0.735 38.691 38.460 -0.840 0.000 1.218 91 Y HN 0.283 nan 8.280 nan 0.000 0.508 92 K N 6.147 126.242 120.400 -0.509 0.000 3.050 92 K HA 0.027 4.346 4.320 -0.002 0.000 0.185 92 K C -1.251 175.142 176.600 -0.344 0.000 1.147 92 K CA -0.326 55.784 56.287 -0.295 0.000 0.916 92 K CB 0.988 33.376 32.500 -0.185 0.000 1.119 92 K HN 0.854 nan 8.250 nan 0.000 0.605 93 Q N 1.810 121.414 119.800 -0.327 0.000 2.641 93 Q HA 0.148 4.487 4.340 -0.002 0.000 0.225 93 Q C -0.865 175.081 176.000 -0.090 0.000 1.309 93 Q CA 0.087 55.766 55.803 -0.207 0.000 0.935 93 Q CB 0.237 28.957 28.738 -0.030 0.000 1.557 93 Q HN 0.162 nan 8.270 nan 0.000 0.563 94 S N 2.695 118.335 115.700 -0.101 0.000 2.481 94 S HA 0.432 4.901 4.470 -0.002 0.000 0.276 94 S C 0.749 175.320 174.600 -0.050 0.000 1.247 94 S CA 0.054 58.216 58.200 -0.063 0.000 1.053 94 S CB 0.963 64.125 63.200 -0.064 0.000 0.925 94 S HN 0.996 nan 8.310 nan 0.000 0.491 95 G N 3.642 112.423 108.800 -0.032 0.000 2.622 95 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.307 95 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.307 95 G C -0.277 174.609 174.900 -0.023 0.000 1.226 95 G CA 0.061 45.146 45.100 -0.024 0.000 0.997 95 G HN 0.636 nan 8.290 nan 0.000 0.551 96 E N 1.602 121.786 120.200 -0.026 0.000 3.105 96 E HA 0.493 4.842 4.350 -0.002 0.000 0.219 96 E C -0.609 175.967 176.600 -0.040 0.000 1.064 96 E CA 0.145 56.530 56.400 -0.024 0.000 1.342 96 E CB 0.634 30.324 29.700 -0.016 0.000 1.295 96 E HN 0.411 nan 8.360 nan 0.000 0.438 97 S N 1.196 116.859 115.700 -0.062 0.000 2.672 97 S HA 0.477 4.946 4.470 -0.002 0.000 0.291 97 S C 0.073 174.589 174.600 -0.140 0.000 1.145 97 S CA -0.760 57.389 58.200 -0.085 0.000 1.013 97 S CB 1.449 64.602 63.200 -0.077 0.000 1.017 97 S HN 0.122 nan 8.310 nan 0.000 0.487 98 I N 2.501 122.967 120.570 -0.172 0.000 2.577 98 I HA 0.545 4.714 4.170 -0.002 0.000 0.300 98 I C -0.115 175.838 176.117 -0.274 0.000 0.990 98 I CA -0.362 60.748 61.300 -0.317 0.000 1.283 98 I CB 0.729 38.542 38.000 -0.311 0.000 1.411 98 I HN 0.558 nan 8.210 nan 0.000 0.515 99 D N 4.901 125.090 120.400 -0.352 0.000 2.966 99 D HA 0.328 4.967 4.640 -0.002 0.000 0.222 99 D C -0.785 175.385 176.300 -0.217 0.000 1.292 99 D CA -0.214 53.652 54.000 -0.224 0.000 0.907 99 D CB 2.732 43.430 40.800 -0.170 0.000 1.621 99 D HN 0.131 nan 8.370 nan 0.000 0.557 100 I N 3.610 124.107 120.570 -0.122 0.000 2.306 100 I HA 0.293 4.462 4.170 -0.002 0.000 0.288 100 I C 0.866 176.962 176.117 -0.035 0.000 1.036 100 I CA -0.553 60.723 61.300 -0.039 0.000 1.221 100 I CB 0.525 38.539 38.000 0.022 0.000 1.385 100 I HN 0.351 nan 8.210 nan 0.000 0.472 101 I N 3.318 123.873 120.570 -0.025 0.000 2.577 101 I HA 0.449 4.618 4.170 -0.002 0.000 0.300 101 I C -0.023 176.105 176.117 0.018 0.000 0.990 101 I CA -0.208 61.081 61.300 -0.019 0.000 1.283 101 I CB 1.598 39.583 38.000 -0.025 0.000 1.411 101 I HN 0.330 nan 8.210 nan 0.000 0.515 102 T N 5.760 120.318 114.554 0.008 0.000 2.753 102 T HA 0.335 4.684 4.350 -0.002 0.000 0.297 102 T C 1.105 175.848 174.700 0.072 0.000 0.981 102 T CA -0.516 61.606 62.100 0.037 0.000 0.956 102 T CB 1.044 69.900 68.868 -0.021 0.000 0.936 102 T HN 0.535 nan 8.240 nan 0.000 0.463 103 R N 1.783 122.346 120.500 0.105 0.000 2.075 103 R HA 0.212 4.551 4.340 -0.002 0.000 0.232 103 R C 0.818 177.197 176.300 0.132 0.000 1.126 103 R CA 0.537 56.702 56.100 0.108 0.000 0.963 103 R CB -0.143 30.231 30.300 0.122 0.000 0.858 103 R HN 0.730 nan 8.270 nan 0.000 0.435 104 A N 0.124 123.048 122.820 0.173 0.000 2.601 104 A HA 0.582 4.901 4.320 -0.002 0.000 0.291 104 A C -1.391 176.349 177.584 0.259 0.000 1.075 104 A CA -0.749 51.402 52.037 0.190 0.000 0.671 104 A CB 1.432 20.512 19.000 0.134 0.000 1.277 104 A HN 0.475 nan 8.150 nan 0.000 0.417 105 H N -0.795 118.310 119.070 0.058 0.000 3.060 105 H HA 0.728 5.283 4.556 -0.002 0.000 0.330 105 H C -0.698 174.647 175.328 0.028 0.000 1.305 105 H CA -0.341 55.733 56.048 0.044 0.000 1.209 105 H CB 1.071 30.844 29.762 0.018 0.000 1.913 105 H HN 2.022 nan 8.280 nan 0.000 0.534 106 G N 1.128 109.872 108.800 -0.094 0.000 2.616 106 G HA2 0.142 4.101 3.960 -0.002 0.000 0.294 106 G HA3 0.142 4.101 3.960 -0.002 0.000 0.294 106 G C -1.773 173.106 174.900 -0.034 0.000 1.489 106 G CA -0.975 44.032 45.100 -0.154 0.000 0.836 106 G HN 0.669 nan 8.290 nan 0.000 0.527 107 N N 0.539 119.204 118.700 -0.057 0.000 2.419 107 N HA 0.255 4.994 4.740 -0.002 0.000 0.264 107 N C 0.990 176.507 175.510 0.011 0.000 1.031 107 N CA -0.117 52.920 53.050 -0.022 0.000 0.951 107 N CB 1.807 40.230 38.487 -0.106 0.000 1.101 107 N HN 0.745 nan 8.380 nan 0.000 0.488 108 V N 1.371 121.331 119.914 0.077 0.000 3.271 108 V HA 0.183 4.302 4.120 -0.002 0.000 0.327 108 V C 0.598 176.713 176.094 0.035 0.000 1.389 108 V CA -0.418 61.919 62.300 0.062 0.000 1.156 108 V CB -0.744 31.129 31.823 0.084 0.000 1.103 108 V HN 0.635 nan 8.190 nan 0.000 0.453 109 Q N -0.040 119.745 119.800 -0.026 0.000 2.354 109 Q HA 0.452 4.791 4.340 -0.002 0.000 0.244 109 Q C -0.971 174.948 176.000 -0.136 0.000 0.969 109 Q CA -0.299 55.337 55.803 -0.278 0.000 0.885 109 Q CB 0.957 29.461 28.738 -0.390 0.000 1.241 109 Q HN 0.437 nan 8.270 nan 0.000 0.461 110 D N 1.135 121.431 120.400 -0.173 0.000 2.256 110 D HA 0.118 4.757 4.640 -0.002 0.000 0.246 110 D C 0.137 176.252 176.300 -0.309 0.000 1.042 110 D CA -0.650 53.202 54.000 -0.247 0.000 0.841 110 D CB 1.674 42.273 40.800 -0.335 0.000 1.223 110 D HN 0.536 nan 8.370 nan 0.000 0.470 111 R N 1.417 121.801 120.500 -0.192 0.000 2.395 111 R HA 0.014 4.353 4.340 -0.002 0.000 0.203 111 R C -0.210 175.981 176.300 -0.181 0.000 1.076 111 R CA 0.962 56.975 56.100 -0.145 0.000 1.059 111 R CB -0.649 29.601 30.300 -0.084 0.000 0.860 111 R HN 0.406 nan 8.270 nan 0.000 0.476 112 I N -3.258 117.131 120.570 -0.302 0.000 3.673 112 I HA 0.532 4.701 4.170 -0.002 0.000 0.294 112 I C 0.275 176.098 176.117 -0.490 0.000 1.163 112 I CA -0.690 60.440 61.300 -0.284 0.000 1.138 112 I CB -0.053 37.831 38.000 -0.193 0.000 1.348 112 I HN -0.034 nan 8.210 nan 0.000 0.455 113 G N 1.629 110.236 108.800 -0.321 0.000 2.978 113 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.686 113 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.686 113 G C -0.401 174.424 174.900 -0.124 0.000 1.288 113 G CA -0.342 44.595 45.100 -0.272 0.000 1.026 113 G HN 0.879 nan 8.290 nan 0.000 0.587 114 R N 2.198 122.749 120.500 0.085 0.000 2.404 114 R HA 0.592 4.931 4.340 -0.002 0.000 0.291 114 R C -2.762 173.714 176.300 0.294 0.000 1.025 114 R CA -1.945 54.248 56.100 0.155 0.000 0.991 114 R CB 1.128 31.475 30.300 0.080 0.000 1.053 114 R HN 0.277 nan 8.270 nan 0.000 0.479 115 P HA -0.000 nan 4.420 nan 0.000 0.264 115 P C -0.643 176.717 177.300 0.100 0.000 1.193 115 P CA 0.418 63.633 63.100 0.192 0.000 0.763 115 P CB 0.794 32.591 31.700 0.160 0.000 0.810 116 S N 1.870 117.607 115.700 0.062 0.000 2.614 116 S HA 0.072 4.541 4.470 -0.002 0.000 0.265 116 S C 1.305 175.918 174.600 0.022 0.000 1.303 116 S CA -0.582 57.643 58.200 0.042 0.000 1.000 116 S CB 0.510 63.742 63.200 0.053 0.000 0.935 116 S HN 0.487 nan 8.310 nan 0.000 0.551 117 E N 0.439 120.642 120.200 0.004 0.000 2.347 117 E HA -0.093 4.256 4.350 -0.002 0.000 0.196 117 E C 1.560 178.182 176.600 0.037 0.000 1.008 117 E CA 1.256 57.652 56.400 -0.007 0.000 0.852 117 E CB 0.055 29.701 29.700 -0.091 0.000 0.783 117 E HN 0.838 nan 8.360 nan 0.000 0.505 118 T N -3.659 110.929 114.554 0.057 0.000 2.978 118 T HA 0.407 4.756 4.350 -0.002 0.000 0.248 118 T C 0.751 175.470 174.700 0.032 0.000 1.018 118 T CA 0.261 62.395 62.100 0.057 0.000 1.026 118 T CB 1.296 70.214 68.868 0.083 0.000 1.032 118 T HN 0.196 nan 8.240 nan 0.000 0.485 119 G N 0.798 109.614 108.800 0.026 0.000 2.353 119 G HA2 0.223 4.182 3.960 -0.002 0.000 0.424 119 G HA3 0.223 4.182 3.960 -0.002 0.000 0.424 119 G C -1.388 173.509 174.900 -0.006 0.000 1.320 119 G CA -0.850 44.252 45.100 0.005 0.000 0.995 119 G HN 0.416 nan 8.290 nan 0.000 0.580 120 I N 0.604 121.154 120.570 -0.033 0.000 2.634 120 I HA 0.372 4.541 4.170 -0.002 0.000 0.284 120 I C 0.318 176.415 176.117 -0.033 0.000 1.124 120 I CA 0.032 61.301 61.300 -0.051 0.000 1.417 120 I CB 0.579 38.525 38.000 -0.090 0.000 1.396 120 I HN 0.292 nan 8.210 nan 0.000 0.571 121 I N 5.239 125.792 120.570 -0.027 0.000 2.478 121 I HA 0.374 4.543 4.170 -0.002 0.000 0.287 121 I C 0.124 176.221 176.117 -0.033 0.000 1.042 121 I CA -0.502 60.789 61.300 -0.016 0.000 1.067 121 I CB 1.935 39.939 38.000 0.007 0.000 1.233 121 I HN 0.561 nan 8.210 nan 0.000 0.431 122 G N 7.680 116.472 108.800 -0.014 0.000 2.437 122 G HA2 0.753 4.712 3.960 -0.002 0.000 0.315 122 G HA3 0.753 4.712 3.960 -0.002 0.000 0.315 122 G C -0.677 174.189 174.900 -0.056 0.000 1.210 122 G CA -0.428 44.671 45.100 -0.001 0.000 0.943 122 G HN 0.639 nan 8.290 nan 0.000 0.471 123 I N -0.236 120.225 120.570 -0.183 0.000 2.785 123 I HA 0.756 4.925 4.170 -0.002 0.000 0.302 123 I C -0.921 175.046 176.117 -0.249 0.000 1.069 123 I CA -1.542 59.618 61.300 -0.233 0.000 1.045 123 I CB 2.560 40.316 38.000 -0.407 0.000 1.236 123 I HN 0.211 nan 8.210 nan 0.000 0.429 124 I N 2.178 122.705 120.570 -0.072 0.000 2.545 124 I HA 0.300 4.469 4.170 -0.002 0.000 0.292 124 I C -0.612 175.706 176.117 0.335 0.000 1.040 124 I CA -0.598 60.725 61.300 0.038 0.000 1.068 124 I CB 1.942 39.863 38.000 -0.131 0.000 1.251 124 I HN 0.617 nan 8.210 nan 0.000 0.424 125 D N 6.937 127.539 120.400 0.337 0.000 2.533 125 D HA 0.034 4.673 4.640 -0.002 0.000 0.236 125 D C -1.681 174.615 176.300 -0.007 0.000 1.137 125 D CA -0.866 53.162 54.000 0.046 0.000 0.867 125 D CB 1.069 41.781 40.800 -0.146 0.000 1.170 125 D HN 0.237 nan 8.370 nan 0.000 0.474 126 P HA -0.110 nan 4.420 nan 0.000 0.227 126 P C 0.139 177.399 177.300 -0.067 0.000 1.145 126 P CA 0.967 63.934 63.100 -0.222 0.000 0.769 126 P CB 0.211 31.589 31.700 -0.537 0.000 0.769 127 E N -2.393 117.785 120.200 -0.036 0.000 2.714 127 E HA 0.124 4.473 4.350 -0.002 0.000 0.219 127 E C -0.389 176.236 176.600 0.042 0.000 0.979 127 E CA -0.039 56.368 56.400 0.011 0.000 1.092 127 E CB 0.206 29.903 29.700 -0.004 0.000 1.049 127 E HN -0.026 nan 8.360 nan 0.000 0.487 128 C N 0.520 119.859 119.300 0.064 0.000 4.456 128 C HA -0.161 4.298 4.460 -0.002 0.000 0.288 128 C C 1.641 176.666 174.990 0.059 0.000 1.374 128 C CA 0.906 59.990 59.018 0.112 0.000 1.956 128 C CB -2.487 25.366 27.740 0.188 0.000 1.255 128 C HN 0.555 nan 8.230 nan 0.000 0.788 129 R N 0.141 120.644 120.500 0.005 0.000 2.115 129 R HA 0.043 4.382 4.340 -0.002 0.000 0.230 129 R C 0.708 177.012 176.300 0.006 0.000 1.111 129 R CA 2.100 58.197 56.100 -0.004 0.000 0.976 129 R CB 0.086 30.358 30.300 -0.047 0.000 0.870 129 R HN 0.775 nan 8.270 nan 0.000 0.445 130 M N -2.470 117.129 119.600 -0.001 0.000 3.118 130 M HA 0.334 4.813 4.480 -0.002 0.000 0.276 130 M C -1.679 174.608 176.300 -0.021 0.000 1.099 130 M CA -1.056 54.237 55.300 -0.012 0.000 0.802 130 M CB 1.015 33.619 32.600 0.007 0.000 1.618 130 M HN -0.345 nan 8.290 nan 0.000 0.535 131 I N 1.100 121.583 120.570 -0.146 0.000 2.404 131 I HA 0.786 4.955 4.170 -0.002 0.000 0.293 131 I C 0.135 176.088 176.117 -0.273 0.000 0.992 131 I CA -0.320 60.807 61.300 -0.288 0.000 1.149 131 I CB 1.160 38.799 38.000 -0.603 0.000 1.315 131 I HN 0.941 nan 8.210 nan 0.000 0.446 132 G N 6.679 115.292 108.800 -0.313 0.000 2.557 132 G HA2 0.659 4.618 3.960 -0.002 0.000 0.310 132 G HA3 0.659 4.618 3.960 -0.002 0.000 0.310 132 G C -1.250 173.307 174.900 -0.572 0.000 1.328 132 G CA -0.292 44.464 45.100 -0.574 0.000 0.945 132 G HN 0.308 nan 8.290 nan 0.000 0.494 133 L N 2.327 123.195 121.223 -0.592 0.000 2.333 133 L HA 0.559 4.898 4.340 -0.002 0.000 0.280 133 L C 0.304 176.996 176.870 -0.298 0.000 1.004 133 L CA -0.921 53.726 54.840 -0.322 0.000 0.820 133 L CB 1.926 43.891 42.059 -0.158 0.000 1.247 133 L HN 0.352 nan 8.230 nan 0.000 0.416 134 R N 3.690 124.117 120.500 -0.121 0.000 2.391 134 R HA 0.398 4.737 4.340 -0.002 0.000 0.310 134 R C 0.032 176.287 176.300 -0.075 0.000 1.174 134 R CA 0.021 56.117 56.100 -0.006 0.000 1.118 134 R CB 0.119 30.475 30.300 0.093 0.000 1.134 134 R HN 0.798 nan 8.270 nan 0.000 0.524 135 L N 3.205 124.324 121.223 -0.173 0.000 2.262 135 L HA 0.230 4.569 4.340 -0.002 0.000 0.197 135 L C 0.008 176.533 176.870 -0.575 0.000 1.073 135 L CA 0.535 55.096 54.840 -0.465 0.000 0.800 135 L CB -0.178 41.387 42.059 -0.824 0.000 0.987 135 L HN 0.329 nan 8.230 nan 0.000 0.470 136 Y N -0.774 119.562 120.300 0.061 0.000 2.549 136 Y HA 0.320 4.869 4.550 -0.002 0.000 0.339 136 Y C -0.191 175.744 175.900 0.059 0.000 1.053 136 Y CA -1.695 56.435 58.100 0.050 0.000 1.105 136 Y CB 0.534 39.004 38.460 0.016 0.000 1.258 136 Y HN -0.086 nan 8.280 nan 0.000 0.478 137 D N 1.102 121.632 120.400 0.216 0.000 2.458 137 D HA 0.196 4.835 4.640 -0.002 0.000 0.243 137 D C 1.096 177.478 176.300 0.137 0.000 1.146 137 D CA 1.701 55.790 54.000 0.148 0.000 0.877 137 D CB 0.939 41.805 40.800 0.111 0.000 1.176 137 D HN 0.954 nan 8.370 nan 0.000 0.461 138 G N 2.021 110.896 108.800 0.126 0.000 2.155 138 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.257 138 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.257 138 G C 0.112 175.082 174.900 0.117 0.000 0.983 138 G CA -0.027 45.138 45.100 0.108 0.000 0.676 138 G HN 0.472 nan 8.290 nan 0.000 0.528 139 L N -1.033 120.286 121.223 0.159 0.000 2.436 139 L HA 0.702 5.041 4.340 -0.002 0.000 0.268 139 L C -1.062 175.961 176.870 0.256 0.000 0.974 139 L CA -1.123 53.822 54.840 0.175 0.000 0.826 139 L CB 2.021 44.182 42.059 0.169 0.000 1.291 139 L HN 0.042 nan 8.230 nan 0.000 0.406 140 F N 3.325 123.303 119.950 0.047 0.000 2.445 140 F HA 0.432 4.958 4.527 -0.002 0.000 0.348 140 F C 0.092 175.877 175.800 -0.025 0.000 1.125 140 F CA -1.014 57.017 58.000 0.051 0.000 0.983 140 F CB 1.287 40.426 39.000 0.233 0.000 1.198 140 F HN 0.244 nan 8.300 nan 0.000 0.436 141 K N 4.214 124.372 120.400 -0.402 0.000 2.339 141 K HA 0.526 4.845 4.320 -0.002 0.000 0.286 141 K C -1.343 174.863 176.600 -0.657 0.000 1.050 141 K CA -0.052 55.989 56.287 -0.409 0.000 0.956 141 K CB 0.684 33.025 32.500 -0.266 0.000 0.990 141 K HN 0.450 nan 8.250 nan 0.000 0.475 142 V N 6.686 126.194 119.914 -0.676 0.000 2.448 142 V HA 0.399 4.518 4.120 -0.002 0.000 0.295 142 V C -0.285 175.438 176.094 -0.619 0.000 1.025 142 V CA -0.737 61.118 62.300 -0.742 0.000 0.859 142 V CB 1.438 32.598 31.823 -1.104 0.000 0.988 142 V HN 0.660 nan 8.190 nan 0.000 0.431 143 I N 6.606 126.956 120.570 -0.367 0.000 2.371 143 I HA 0.323 4.492 4.170 -0.002 0.000 0.282 143 I C -2.451 173.589 176.117 -0.128 0.000 1.031 143 I CA -2.019 59.147 61.300 -0.223 0.000 1.180 143 I CB 1.990 39.866 38.000 -0.206 0.000 1.336 143 I HN 0.384 nan 8.210 nan 0.000 0.467 144 P HA -0.054 nan 4.420 nan 0.000 0.258 144 P C 0.408 177.716 177.300 0.014 0.000 1.214 144 P CA 0.035 63.158 63.100 0.038 0.000 0.872 144 P CB 0.385 32.150 31.700 0.110 0.000 0.890 145 L N 3.873 125.098 121.223 0.003 0.000 2.591 145 L HA 0.054 4.393 4.340 -0.002 0.000 0.228 145 L C 0.580 177.480 176.870 0.050 0.000 1.133 145 L CA 0.436 55.288 54.840 0.019 0.000 0.880 145 L CB -0.755 41.305 42.059 0.002 0.000 1.033 145 L HN 0.258 nan 8.230 nan 0.000 0.450 146 D N 1.403 121.830 120.400 0.044 0.000 2.426 146 D HA -0.078 4.561 4.640 -0.002 0.000 0.271 146 D C 0.054 176.380 176.300 0.045 0.000 1.376 146 D CA -0.011 54.016 54.000 0.045 0.000 1.149 146 D CB 0.142 40.967 40.800 0.043 0.000 1.118 146 D HN 0.076 nan 8.370 nan 0.000 0.529 147 R N 0.764 121.294 120.500 0.050 0.000 3.569 147 R HA -0.219 4.120 4.340 -0.002 0.000 0.584 147 R C 0.103 176.431 176.300 0.047 0.000 0.241 147 R CA 0.769 56.896 56.100 0.046 0.000 1.805 147 R CB -1.161 29.160 30.300 0.034 0.000 0.922 147 R HN 0.760 nan 8.270 nan 0.000 0.601 148 D N 1.381 121.805 120.400 0.041 0.000 3.277 148 D HA -0.174 4.465 4.640 -0.002 0.000 0.203 148 D C 0.075 176.398 176.300 0.038 0.000 1.057 148 D CA 1.366 55.389 54.000 0.039 0.000 0.751 148 D CB 0.026 40.844 40.800 0.031 0.000 1.155 148 D HN 0.440 nan 8.370 nan 0.000 0.536 149 N N 2.893 121.618 118.700 0.041 0.000 3.664 149 N HA -0.038 4.701 4.740 -0.002 0.000 0.139 149 N C -0.216 175.315 175.510 0.035 0.000 1.286 149 N CA -0.371 52.699 53.050 0.033 0.000 1.541 149 N CB -0.039 38.468 38.487 0.033 0.000 1.689 149 N HN 0.285 nan 8.380 nan 0.000 0.695 150 K N 0.033 120.454 120.400 0.035 0.000 2.574 150 K HA -0.031 4.288 4.320 -0.002 0.000 0.193 150 K C -0.110 176.491 176.600 0.001 0.000 1.035 150 K CA 0.965 57.278 56.287 0.044 0.000 0.982 150 K CB 0.307 32.839 32.500 0.054 0.000 0.795 150 K HN 0.383 nan 8.250 nan 0.000 0.491 151 E N -0.146 120.033 120.200 -0.034 0.000 2.562 151 E HA 0.177 4.526 4.350 -0.002 0.000 0.214 151 E C -0.150 176.398 176.600 -0.086 0.000 0.979 151 E CA -0.127 56.207 56.400 -0.110 0.000 1.002 151 E CB 0.240 29.888 29.700 -0.087 0.000 1.048 151 E HN 0.058 nan 8.360 nan 0.000 0.488 152 L N 1.591 122.797 121.223 -0.028 0.000 3.762 152 L HA -0.303 4.036 4.340 -0.002 0.000 0.460 152 L C -0.374 176.483 176.870 -0.021 0.000 1.255 152 L CA 0.537 55.371 54.840 -0.011 0.000 0.783 152 L CB -1.254 40.814 42.059 0.016 0.000 1.600 152 L HN 0.198 nan 8.230 nan 0.000 0.862 153 K N 0.461 120.854 120.400 -0.012 0.000 2.382 153 K HA 0.589 4.908 4.320 -0.002 0.000 0.275 153 K C 0.489 177.093 176.600 0.008 0.000 1.009 153 K CA 0.502 56.789 56.287 -0.001 0.000 0.970 153 K CB 1.221 33.730 32.500 0.015 0.000 0.934 153 K HN 0.396 nan 8.250 nan 0.000 0.479 154 A N 2.131 124.955 122.820 0.008 0.000 2.504 154 A HA 0.822 5.141 4.320 -0.002 0.000 0.285 154 A C -1.551 176.074 177.584 0.068 0.000 1.261 154 A CA -0.806 51.212 52.037 -0.032 0.000 0.741 154 A CB 1.001 19.924 19.000 -0.129 0.000 1.327 154 A HN 0.650 nan 8.150 nan 0.000 0.441 155 F N -0.778 119.146 119.950 -0.044 0.000 2.615 155 F HA 0.722 5.248 4.527 -0.002 0.000 0.312 155 F C -0.947 174.823 175.800 -0.051 0.000 1.119 155 F CA -1.153 56.820 58.000 -0.046 0.000 0.979 155 F CB 0.498 39.471 39.000 -0.045 0.000 1.266 155 F HN 0.427 nan 8.300 nan 0.000 0.444 156 N N 2.188 120.955 118.700 0.111 0.000 2.413 156 N HA 0.742 5.481 4.740 -0.002 0.000 0.266 156 N C -1.233 174.353 175.510 0.126 0.000 1.238 156 N CA -0.463 52.611 53.050 0.040 0.000 0.972 156 N CB 1.177 39.689 38.487 0.042 0.000 1.210 156 N HN 0.693 nan 8.380 nan 0.000 0.547 157 I N 0.314 120.902 120.570 0.031 0.000 2.571 157 I HA 0.284 4.453 4.170 -0.002 0.000 0.289 157 I C 0.150 176.186 176.117 -0.135 0.000 1.115 157 I CA -0.685 60.534 61.300 -0.135 0.000 1.045 157 I CB 2.005 39.711 38.000 -0.490 0.000 1.238 157 I HN 0.297 nan 8.210 nan 0.000 0.424 158 R N 3.889 124.307 120.500 -0.136 0.000 2.971 158 R HA 0.483 4.822 4.340 -0.002 0.000 0.278 158 R C -0.894 175.383 176.300 -0.037 0.000 1.022 158 R CA 0.127 56.189 56.100 -0.064 0.000 1.187 158 R CB 0.499 30.761 30.300 -0.063 0.000 1.126 158 R HN 0.461 nan 8.270 nan 0.000 0.510 159 L N 0.423 121.671 121.223 0.041 0.000 2.705 159 L HA 0.095 4.434 4.340 -0.002 0.000 0.260 159 L C -0.301 176.630 176.870 0.102 0.000 0.921 159 L CA -0.262 54.648 54.840 0.117 0.000 0.948 159 L CB 1.900 44.060 42.059 0.169 0.000 1.427 159 L HN 0.575 nan 8.230 nan 0.000 0.432 160 E N 1.049 121.316 120.200 0.113 0.000 2.274 160 E HA -0.069 4.280 4.350 -0.002 0.000 0.194 160 E C -0.434 176.196 176.600 0.050 0.000 0.996 160 E CA 0.639 57.082 56.400 0.071 0.000 0.840 160 E CB 0.156 29.892 29.700 0.059 0.000 0.772 160 E HN 0.414 nan 8.360 nan 0.000 0.491 161 E N 0.927 121.155 120.200 0.047 0.000 2.104 161 E HA 0.024 4.373 4.350 -0.002 0.000 0.278 161 E C 0.950 177.639 176.600 0.148 0.000 1.127 161 E CA -0.062 56.358 56.400 0.032 0.000 0.897 161 E CB 0.269 30.001 29.700 0.053 0.000 1.043 161 E HN 0.243 nan 8.360 nan 0.000 0.410 162 L N 1.418 122.741 121.223 0.165 0.000 1.993 162 L HA 0.049 4.388 4.340 -0.002 0.000 0.206 162 L C 1.176 178.184 176.870 0.230 0.000 1.074 162 L CA 1.084 56.026 54.840 0.171 0.000 0.746 162 L CB -0.346 41.802 42.059 0.148 0.000 0.896 162 L HN 0.486 nan 8.230 nan 0.000 0.435 163 H N 1.367 120.528 119.070 0.151 0.000 2.914 163 H HA 0.466 5.021 4.556 -0.002 0.000 0.264 163 H C -1.164 174.272 175.328 0.179 0.000 1.433 163 H CA -0.841 55.289 56.048 0.138 0.000 1.342 163 H CB 0.401 30.229 29.762 0.111 0.000 1.582 163 H HN 0.078 nan 8.280 nan 0.000 0.525 164 V N 6.895 127.037 119.914 0.380 0.000 2.465 164 V HA -0.016 4.103 4.120 -0.002 0.000 0.279 164 V C 1.020 177.271 176.094 0.262 0.000 1.045 164 V CA -0.491 61.997 62.300 0.313 0.000 0.938 164 V CB 1.104 33.056 31.823 0.216 0.000 0.986 164 V HN 0.762 nan 8.190 nan 0.000 0.467 165 I N 2.171 122.853 120.570 0.186 0.000 2.260 165 I HA 0.182 4.351 4.170 -0.002 0.000 0.237 165 I C 0.657 176.842 176.117 0.113 0.000 1.075 165 I CA 1.237 62.610 61.300 0.121 0.000 1.376 165 I CB -0.350 37.672 38.000 0.036 0.000 1.107 165 I HN 0.759 nan 8.210 nan 0.000 0.420 166 D N 0.189 120.661 120.400 0.119 0.000 2.861 166 D HA 0.394 5.033 4.640 -0.002 0.000 0.216 166 D C -0.369 176.006 176.300 0.126 0.000 1.323 166 D CA -0.281 53.780 54.000 0.102 0.000 0.917 166 D CB 1.772 42.618 40.800 0.075 0.000 1.582 166 D HN -0.002 nan 8.370 nan 0.000 0.576 167 V N 1.114 121.092 119.914 0.106 0.000 3.613 167 V HA 0.898 5.017 4.120 -0.002 0.000 0.283 167 V C -0.223 175.907 176.094 0.058 0.000 1.052 167 V CA -0.454 61.905 62.300 0.098 0.000 0.937 167 V CB 1.082 32.916 31.823 0.017 0.000 1.241 167 V HN 0.727 nan 8.190 nan 0.000 0.429 168 K N -1.370 119.042 120.400 0.020 0.000 2.931 168 K HA 0.320 4.639 4.320 -0.002 0.000 0.321 168 K C -1.707 174.970 176.600 0.128 0.000 1.191 168 K CA -0.250 56.060 56.287 0.038 0.000 0.954 168 K CB 0.267 32.830 32.500 0.105 0.000 1.350 168 K HN 0.657 nan 8.250 nan 0.000 0.396 169 F N 4.164 124.158 119.950 0.073 0.000 2.396 169 F HA 0.408 4.934 4.527 -0.002 0.000 0.343 169 F C 0.594 176.420 175.800 0.043 0.000 1.104 169 F CA -1.047 56.973 58.000 0.034 0.000 1.161 169 F CB 0.771 39.765 39.000 -0.010 0.000 1.146 169 F HN 0.177 nan 8.300 nan 0.000 0.522 170 L N 4.030 125.405 121.223 0.254 0.000 2.350 170 L HA 0.207 4.546 4.340 -0.002 0.000 0.275 170 L C -0.441 176.524 176.870 0.159 0.000 1.099 170 L CA -0.612 54.358 54.840 0.218 0.000 0.808 170 L CB 0.520 42.680 42.059 0.167 0.000 1.149 170 L HN 0.493 nan 8.230 nan 0.000 0.442 171 Y N 0.547 120.925 120.300 0.131 0.000 2.299 171 Y HA 0.312 4.861 4.550 -0.002 0.000 0.335 171 Y C 1.196 177.158 175.900 0.103 0.000 1.287 171 Y CA 0.198 58.370 58.100 0.120 0.000 1.424 171 Y CB 0.719 39.264 38.460 0.141 0.000 1.326 171 Y HN 0.726 nan 8.280 nan 0.000 0.567 172 G N 0.742 109.689 108.800 0.245 0.000 2.296 172 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.263 172 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.263 172 G C -0.946 174.025 174.900 0.118 0.000 0.887 172 G CA 0.001 45.200 45.100 0.165 0.000 1.318 172 G HN 0.688 nan 8.290 nan 0.000 0.403 173 C N 1.432 120.773 119.300 0.069 0.000 2.880 173 C HA 0.415 4.874 4.460 -0.002 0.000 0.320 173 C C 1.504 176.507 174.990 0.021 0.000 1.176 173 C CA -0.714 58.331 59.018 0.046 0.000 1.390 173 C CB 1.930 29.685 27.740 0.024 0.000 1.846 173 C HN 0.844 nan 8.230 nan 0.000 0.478 174 Q N 1.382 121.198 119.800 0.028 0.000 2.045 174 Q HA -0.064 4.275 4.340 -0.002 0.000 0.206 174 Q C 0.881 176.883 176.000 0.003 0.000 0.991 174 Q CA 1.996 57.812 55.803 0.020 0.000 0.851 174 Q CB 0.013 28.767 28.738 0.028 0.000 0.911 174 Q HN 0.869 nan 8.270 nan 0.000 0.418 175 A N 0.240 123.056 122.820 -0.006 0.000 2.387 175 A HA 0.545 4.864 4.320 -0.002 0.000 0.303 175 A C -2.566 174.971 177.584 -0.078 0.000 1.145 175 A CA -1.910 50.111 52.037 -0.025 0.000 0.801 175 A CB 0.613 19.614 19.000 0.002 0.000 1.342 175 A HN -0.142 nan 8.150 nan 0.000 0.440 176 P HA 0.146 nan 4.420 nan 0.000 0.258 176 P C -0.649 176.506 177.300 -0.241 0.000 1.187 176 P CA 0.933 63.846 63.100 -0.312 0.000 0.767 176 P CB 0.288 31.798 31.700 -0.317 0.000 0.770 177 T N 5.157 119.558 114.554 -0.255 0.000 2.779 177 T HA 0.538 4.887 4.350 -0.002 0.000 0.280 177 T C 0.007 174.751 174.700 0.073 0.000 0.987 177 T CA -0.437 61.618 62.100 -0.075 0.000 0.966 177 T CB 0.685 69.540 68.868 -0.021 0.000 0.933 177 T HN 0.263 nan 8.240 nan 0.000 0.442 178 I N 2.435 123.090 120.570 0.140 0.000 2.441 178 I HA 0.679 4.848 4.170 -0.002 0.000 0.295 178 I C -0.910 175.248 176.117 0.068 0.000 0.994 178 I CA -0.761 60.694 61.300 0.257 0.000 1.144 178 I CB 0.839 38.906 38.000 0.112 0.000 1.314 178 I HN 0.737 nan 8.210 nan 0.000 0.445 179 C N 8.566 127.929 119.300 0.105 0.000 2.381 179 C HA 0.711 5.170 4.460 -0.002 0.000 0.328 179 C C -0.698 174.371 174.990 0.132 0.000 1.190 179 C CA -0.601 58.431 59.018 0.022 0.000 1.369 179 C CB -0.067 27.669 27.740 -0.007 0.000 2.029 179 C HN 0.727 nan 8.230 nan 0.000 0.448 180 F N 3.724 123.595 119.950 -0.132 0.000 2.620 180 F HA 0.869 5.395 4.527 -0.002 0.000 0.320 180 F C -1.123 174.663 175.800 -0.023 0.000 1.069 180 F CA -1.191 56.769 58.000 -0.067 0.000 0.953 180 F CB 1.374 40.327 39.000 -0.079 0.000 1.322 180 F HN 0.170 nan 8.300 nan 0.000 0.479 181 V N 3.139 123.085 119.914 0.054 0.000 2.275 181 V HA 0.236 4.355 4.120 -0.002 0.000 0.272 181 V C -0.866 175.245 176.094 0.028 0.000 1.028 181 V CA -0.661 61.586 62.300 -0.089 0.000 0.810 181 V CB -0.065 31.726 31.823 -0.054 0.000 1.043 181 V HN 0.743 nan 8.190 nan 0.000 0.453 182 Y N 2.598 122.850 120.300 -0.080 0.000 2.403 182 Y HA 0.798 5.347 4.550 -0.002 0.000 0.323 182 Y C -0.165 175.686 175.900 -0.082 0.000 1.226 182 Y CA -1.057 57.084 58.100 0.068 0.000 1.235 182 Y CB 1.045 39.643 38.460 0.231 0.000 1.248 182 Y HN 0.534 nan 8.280 nan 0.000 0.489 183 Q N 2.148 121.996 119.800 0.081 0.000 2.413 183 Q HA 0.483 4.822 4.340 -0.002 0.000 0.276 183 Q C -1.835 174.243 176.000 0.131 0.000 1.099 183 Q CA -0.731 54.993 55.803 -0.131 0.000 0.814 183 Q CB 2.298 30.802 28.738 -0.391 0.000 1.379 183 Q HN 1.036 nan 8.270 nan 0.000 0.436 184 D N 1.276 121.716 120.400 0.067 0.000 2.992 184 D HA 0.174 4.813 4.640 -0.002 0.000 0.349 184 D C -2.237 174.122 176.300 0.098 0.000 1.393 184 D CA -0.730 53.367 54.000 0.162 0.000 0.887 184 D CB 0.114 41.079 40.800 0.275 0.000 1.447 184 D HN 0.268 nan 8.370 nan 0.000 0.524 185 P HA -0.074 nan 4.420 nan 0.000 0.220 185 P C 1.174 178.523 177.300 0.082 0.000 1.144 185 P CA 1.612 64.766 63.100 0.091 0.000 0.800 185 P CB 0.263 32.020 31.700 0.094 0.000 0.772 186 Q N -1.918 117.958 119.800 0.126 0.000 2.226 186 Q HA 0.259 4.598 4.340 -0.002 0.000 0.199 186 Q C 1.253 177.292 176.000 0.065 0.000 0.945 186 Q CA 1.232 57.109 55.803 0.123 0.000 0.861 186 Q CB 0.216 29.074 28.738 0.200 0.000 0.953 186 Q HN 0.201 nan 8.270 nan 0.000 0.490 187 G N 0.051 108.825 108.800 -0.043 0.000 2.335 187 G HA2 0.316 4.275 3.960 -0.002 0.000 0.291 187 G HA3 0.316 4.275 3.960 -0.002 0.000 0.291 187 G C -1.538 172.927 174.900 -0.725 0.000 1.261 187 G CA -1.063 43.890 45.100 -0.245 0.000 0.871 187 G HN -0.041 nan 8.290 nan 0.000 0.491 188 R N 0.903 121.033 120.500 -0.616 0.000 2.229 188 R HA 0.530 4.869 4.340 -0.002 0.000 0.328 188 R C -0.675 175.170 176.300 -0.757 0.000 1.009 188 R CA -0.596 55.099 56.100 -0.676 0.000 0.864 188 R CB 0.758 30.847 30.300 -0.352 0.000 1.085 188 R HN 0.551 nan 8.270 nan 0.000 0.453 189 H N 0.661 119.327 119.070 -0.673 0.000 2.670 189 H HA 0.339 4.894 4.556 -0.002 0.000 0.361 189 H C -0.781 174.095 175.328 -0.753 0.000 1.169 189 H CA -1.002 54.605 56.048 -0.735 0.000 1.198 189 H CB 2.149 31.379 29.762 -0.887 0.000 1.700 189 H HN 0.236 nan 8.280 nan 0.000 0.542 190 V N 1.722 121.453 119.914 -0.306 0.000 2.350 190 V HA 0.349 4.468 4.120 -0.002 0.000 0.285 190 V C -0.231 175.682 176.094 -0.302 0.000 1.014 190 V CA -0.393 61.739 62.300 -0.280 0.000 0.831 190 V CB 0.862 32.645 31.823 -0.066 0.000 1.000 190 V HN 0.736 nan 8.190 nan 0.000 0.433 191 K N 4.102 124.149 120.400 -0.588 0.000 2.312 191 K HA 0.857 5.176 4.320 -0.002 0.000 0.236 191 K C -0.616 175.481 176.600 -0.838 0.000 1.079 191 K CA -0.147 55.727 56.287 -0.689 0.000 0.900 191 K CB 2.439 34.525 32.500 -0.690 0.000 1.297 191 K HN 0.798 nan 8.250 nan 0.000 0.498 192 T N -2.348 111.731 114.554 -0.793 0.000 2.843 192 T HA 0.551 4.900 4.350 -0.002 0.000 0.302 192 T C -1.244 173.147 174.700 -0.514 0.000 1.232 192 T CA -0.757 60.988 62.100 -0.591 0.000 1.009 192 T CB 0.974 69.398 68.868 -0.740 0.000 1.254 192 T HN 0.591 nan 8.240 nan 0.000 0.504 193 Y N -0.637 119.519 120.300 -0.240 0.000 2.521 193 Y HA 0.412 4.961 4.550 -0.002 0.000 0.326 193 Y C -0.337 175.425 175.900 -0.231 0.000 1.176 193 Y CA -1.220 56.713 58.100 -0.277 0.000 1.079 193 Y CB 2.123 40.154 38.460 -0.716 0.000 1.341 193 Y HN 0.761 nan 8.280 nan 0.000 0.456 194 E N 1.026 121.277 120.200 0.086 0.000 2.284 194 E HA 0.727 5.076 4.350 -0.002 0.000 0.255 194 E C -1.409 175.300 176.600 0.181 0.000 1.052 194 E CA -1.110 55.331 56.400 0.068 0.000 0.904 194 E CB 2.169 31.900 29.700 0.052 0.000 1.217 194 E HN 0.177 nan 8.360 nan 0.000 0.438 195 V N 0.956 120.976 119.914 0.177 0.000 2.531 195 V HA 0.286 4.405 4.120 -0.002 0.000 0.301 195 V C -0.655 175.564 176.094 0.208 0.000 1.034 195 V CA -0.769 61.718 62.300 0.312 0.000 0.865 195 V CB 1.715 33.769 31.823 0.386 0.000 0.995 195 V HN 0.580 nan 8.190 nan 0.000 0.424 196 S N 4.681 120.510 115.700 0.215 0.000 2.423 196 S HA 0.458 4.927 4.470 -0.002 0.000 0.317 196 S C 0.714 175.409 174.600 0.157 0.000 1.065 196 S CA -0.611 57.669 58.200 0.134 0.000 1.111 196 S CB 0.314 63.559 63.200 0.074 0.000 0.968 196 S HN 0.633 nan 8.310 nan 0.000 0.474 197 L N 4.449 125.763 121.223 0.152 0.000 2.610 197 L HA 0.186 4.525 4.340 -0.002 0.000 0.232 197 L C 2.411 179.306 176.870 0.042 0.000 1.149 197 L CA 0.266 55.215 54.840 0.181 0.000 0.872 197 L CB -0.264 41.892 42.059 0.162 0.000 0.992 197 L HN 0.628 nan 8.230 nan 0.000 0.447 198 R N 0.779 121.280 120.500 0.003 0.000 2.072 198 R HA -0.037 4.302 4.340 -0.002 0.000 0.214 198 R C 1.998 178.242 176.300 -0.093 0.000 1.168 198 R CA 0.876 56.953 56.100 -0.039 0.000 1.020 198 R CB 0.194 30.485 30.300 -0.015 0.000 0.914 198 R HN 0.388 nan 8.270 nan 0.000 0.449 199 E N 1.025 121.176 120.200 -0.081 0.000 2.447 199 E HA 0.018 4.367 4.350 -0.002 0.000 0.195 199 E C -0.649 175.844 176.600 -0.177 0.000 1.028 199 E CA 0.007 56.341 56.400 -0.110 0.000 0.876 199 E CB 0.224 29.884 29.700 -0.065 0.000 0.885 199 E HN 0.140 nan 8.360 nan 0.000 0.500 200 K N 1.908 122.192 120.400 -0.194 0.000 5.420 200 K HA -0.202 4.117 4.320 -0.002 0.000 0.407 200 K C -0.874 175.639 176.600 -0.144 0.000 1.074 200 K CA 1.212 57.329 56.287 -0.283 0.000 1.247 200 K CB -1.454 30.574 32.500 -0.787 0.000 1.725 200 K HN 0.660 nan 8.250 nan 0.000 0.408 201 E N 0.835 121.000 120.200 -0.058 0.000 2.398 201 E HA 0.228 4.577 4.350 -0.002 0.000 0.280 201 E C -1.252 175.327 176.600 -0.035 0.000 1.122 201 E CA -1.118 55.183 56.400 -0.164 0.000 0.873 201 E CB 0.621 30.249 29.700 -0.120 0.000 1.294 201 E HN 0.119 nan 8.360 nan 0.000 0.435 202 F N 2.050 121.918 119.950 -0.136 0.000 2.377 202 F HA 0.206 4.732 4.527 -0.002 0.000 0.360 202 F C 1.216 176.943 175.800 -0.123 0.000 1.147 202 F CA -0.753 57.122 58.000 -0.209 0.000 1.170 202 F CB 0.362 38.924 39.000 -0.731 0.000 1.339 202 F HN 0.422 nan 8.300 nan 0.000 0.552 203 N N 2.407 121.209 118.700 0.171 0.000 1.997 203 N HA -0.161 4.578 4.740 -0.002 0.000 0.198 203 N C -0.070 175.519 175.510 0.133 0.000 1.063 203 N CA 1.489 54.607 53.050 0.113 0.000 0.860 203 N CB 0.054 38.597 38.487 0.094 0.000 1.063 203 N HN 0.441 nan 8.380 nan 0.000 0.424 204 K N -0.845 119.646 120.400 0.152 0.000 2.545 204 K HA 0.228 4.547 4.320 -0.002 0.000 0.291 204 K C -0.853 175.795 176.600 0.081 0.000 1.093 204 K CA -0.268 56.105 56.287 0.144 0.000 1.012 204 K CB 0.309 32.866 32.500 0.094 0.000 1.354 204 K HN 0.260 nan 8.250 nan 0.000 0.460 205 G N 3.896 112.715 108.800 0.032 0.000 2.690 205 G HA2 0.068 4.027 3.960 -0.002 0.000 0.239 205 G HA3 0.068 4.027 3.960 -0.002 0.000 0.239 205 G C -1.652 173.178 174.900 -0.117 0.000 1.233 205 G CA -0.916 44.111 45.100 -0.122 0.000 0.847 205 G HN 0.413 nan 8.290 nan 0.000 0.588 206 P HA -0.102 nan 4.420 nan 0.000 0.217 206 P C 0.328 177.747 177.300 0.198 0.000 1.162 206 P CA 2.173 65.324 63.100 0.085 0.000 0.901 206 P CB 0.042 31.874 31.700 0.220 0.000 0.793 207 W N -1.486 119.803 121.300 -0.017 0.000 3.518 207 W HA 0.485 5.144 4.660 -0.002 0.000 0.331 207 W C 1.241 177.727 176.519 -0.054 0.000 1.205 207 W CA -0.634 56.693 57.345 -0.030 0.000 0.956 207 W CB 0.157 29.594 29.460 -0.037 0.000 1.645 207 W HN -0.324 nan 8.180 nan 0.000 0.615 208 K N 0.373 120.913 120.400 0.232 0.000 2.027 208 K HA 0.310 4.629 4.320 -0.002 0.000 0.215 208 K C -0.017 176.585 176.600 0.002 0.000 1.027 208 K CA 0.610 56.933 56.287 0.061 0.000 0.967 208 K CB -0.609 31.944 32.500 0.088 0.000 0.867 208 K HN 0.738 nan 8.250 nan 0.000 0.449 209 Q N -0.823 119.075 119.800 0.163 0.000 2.832 209 Q HA 0.446 4.785 4.340 -0.002 0.000 0.329 209 Q C -1.437 174.599 176.000 0.061 0.000 0.816 209 Q CA -1.158 54.697 55.803 0.086 0.000 0.804 209 Q CB 1.665 30.386 28.738 -0.029 0.000 1.376 209 Q HN 0.169 nan 8.270 nan 0.000 0.503 210 E N 0.476 120.648 120.200 -0.048 0.000 2.390 210 E HA 0.325 4.674 4.350 -0.002 0.000 0.280 210 E C -1.428 175.122 176.600 -0.084 0.000 0.992 210 E CA -0.810 55.508 56.400 -0.135 0.000 0.790 210 E CB 1.792 31.311 29.700 -0.301 0.000 1.248 210 E HN 0.518 nan 8.360 nan 0.000 0.447 211 N N 1.174 119.838 118.700 -0.060 0.000 2.402 211 N HA 0.163 4.902 4.740 -0.002 0.000 0.252 211 N C -0.222 175.308 175.510 0.033 0.000 1.118 211 N CA 0.057 53.124 53.050 0.027 0.000 0.945 211 N CB 0.889 39.381 38.487 0.009 0.000 1.147 211 N HN 0.129 nan 8.380 nan 0.000 0.495 212 V N 1.278 121.204 119.914 0.021 0.000 2.904 212 V HA 0.098 4.217 4.120 -0.002 0.000 0.305 212 V C 1.054 177.155 176.094 0.012 0.000 1.067 212 V CA -0.859 61.469 62.300 0.047 0.000 1.044 212 V CB 1.505 33.341 31.823 0.022 0.000 1.050 212 V HN 0.539 nan 8.190 nan 0.000 0.475 213 E N 1.561 121.780 120.200 0.032 0.000 2.653 213 E HA -0.121 4.228 4.350 -0.002 0.000 0.264 213 E C 1.323 177.905 176.600 -0.029 0.000 0.949 213 E CA 0.488 56.892 56.400 0.007 0.000 0.953 213 E CB 0.887 30.590 29.700 0.006 0.000 0.925 213 E HN 0.827 nan 8.360 nan 0.000 0.475 214 A N 5.002 127.805 122.820 -0.028 0.000 2.159 214 A HA -0.220 4.099 4.320 -0.002 0.000 0.222 214 A C 1.005 178.557 177.584 -0.054 0.000 1.163 214 A CA 1.800 53.811 52.037 -0.044 0.000 0.664 214 A CB -0.052 18.932 19.000 -0.026 0.000 0.803 214 A HN 0.671 nan 8.150 nan 0.000 0.470 215 E N -0.900 119.274 120.200 -0.044 0.000 4.170 215 E HA 0.442 4.791 4.350 -0.002 0.000 0.215 215 E C -0.320 176.254 176.600 -0.043 0.000 1.119 215 E CA -0.186 56.188 56.400 -0.044 0.000 1.396 215 E CB 0.748 30.433 29.700 -0.025 0.000 1.182 215 E HN 0.522 nan 8.360 nan 0.000 0.438 216 A N 0.747 123.531 122.820 -0.060 0.000 2.406 216 A HA 0.395 4.714 4.320 -0.002 0.000 0.243 216 A C 1.050 178.608 177.584 -0.044 0.000 1.082 216 A CA 0.547 52.554 52.037 -0.051 0.000 0.786 216 A CB 0.452 19.414 19.000 -0.063 0.000 1.029 216 A HN 0.442 nan 8.150 nan 0.000 0.495 217 S N -0.132 115.552 115.700 -0.027 0.000 4.257 217 S HA 0.224 4.693 4.470 -0.002 0.000 0.208 217 S C 0.273 174.878 174.600 0.010 0.000 1.152 217 S CA -0.312 57.884 58.200 -0.006 0.000 1.110 217 S CB -0.175 63.026 63.200 0.001 0.000 1.434 217 S HN 0.503 nan 8.310 nan 0.000 0.509 218 M N 2.746 122.347 119.600 0.003 0.000 2.274 218 M HA 0.549 5.028 4.480 -0.002 0.000 0.344 218 M C -0.973 175.309 176.300 -0.030 0.000 1.161 218 M CA -0.230 55.077 55.300 0.012 0.000 1.126 218 M CB 1.176 33.788 32.600 0.020 0.000 1.522 218 M HN 0.272 nan 8.290 nan 0.000 0.461 219 V N 5.395 125.298 119.914 -0.018 0.000 2.380 219 V HA 0.357 4.476 4.120 -0.002 0.000 0.268 219 V C -0.163 175.890 176.094 -0.068 0.000 1.008 219 V CA -0.497 61.780 62.300 -0.039 0.000 0.823 219 V CB 0.773 32.609 31.823 0.022 0.000 1.053 219 V HN 0.675 nan 8.190 nan 0.000 0.446 220 I N 3.644 124.086 120.570 -0.212 0.000 2.337 220 I HA 0.439 4.608 4.170 -0.002 0.000 0.291 220 I C 0.998 177.046 176.117 -0.115 0.000 1.046 220 I CA -0.085 61.045 61.300 -0.283 0.000 1.324 220 I CB 1.297 38.906 38.000 -0.651 0.000 1.409 220 I HN 0.590 nan 8.210 nan 0.000 0.494 221 A N 7.612 130.475 122.820 0.070 0.000 2.539 221 A HA 0.394 4.713 4.320 -0.002 0.000 0.306 221 A C 0.197 177.881 177.584 0.167 0.000 1.392 221 A CA -0.430 51.727 52.037 0.199 0.000 1.060 221 A CB -0.322 18.908 19.000 0.382 0.000 1.134 221 A HN 0.533 nan 8.150 nan 0.000 0.542 222 V N 5.521 125.464 119.914 0.049 0.000 2.694 222 V HA -0.014 4.105 4.120 -0.002 0.000 0.306 222 V C -1.317 174.682 176.094 -0.159 0.000 1.054 222 V CA -0.670 61.626 62.300 -0.007 0.000 1.161 222 V CB 0.191 32.045 31.823 0.052 0.000 0.916 222 V HN 0.747 nan 8.190 nan 0.000 0.490 223 P HA -0.122 nan 4.420 nan 0.000 0.226 223 P C 1.032 178.293 177.300 -0.065 0.000 1.275 223 P CA 0.427 63.220 63.100 -0.512 0.000 0.772 223 P CB 0.440 32.034 31.700 -0.177 0.000 0.766 224 E N -1.547 118.700 120.200 0.078 0.000 2.228 224 E HA 0.082 4.431 4.350 -0.002 0.000 0.197 224 E C -0.899 175.772 176.600 0.119 0.000 0.909 224 E CA 0.341 56.827 56.400 0.142 0.000 0.911 224 E CB -1.824 27.956 29.700 0.134 0.000 0.887 224 E HN 0.107 nan 8.360 nan 0.000 0.481 225 P HA -0.173 nan 4.420 nan 0.000 0.214 225 P C 0.613 177.820 177.300 -0.156 0.000 1.172 225 P CA 1.674 64.697 63.100 -0.127 0.000 0.925 225 P CB -0.108 31.417 31.700 -0.292 0.000 0.793 226 F N -2.393 117.583 119.950 0.045 0.000 2.183 226 F HA 0.389 4.915 4.527 -0.002 0.000 0.270 226 F C 2.160 178.030 175.800 0.116 0.000 1.251 226 F CA 1.410 59.457 58.000 0.077 0.000 1.078 226 F CB -1.296 37.759 39.000 0.090 0.000 0.998 226 F HN 0.077 nan 8.300 nan 0.000 0.526 227 G N -1.251 107.802 108.800 0.422 0.000 2.370 227 G HA2 0.016 3.975 3.960 -0.002 0.000 0.174 227 G HA3 0.016 3.975 3.960 -0.002 0.000 0.174 227 G C 0.723 175.762 174.900 0.232 0.000 1.002 227 G CA -0.143 45.124 45.100 0.279 0.000 0.730 227 G HN 0.861 nan 8.290 nan 0.000 0.497 228 G N 0.302 109.234 108.800 0.220 0.000 3.107 228 G HA2 0.683 4.642 3.960 -0.002 0.000 0.155 228 G HA3 0.683 4.642 3.960 -0.002 0.000 0.155 228 G C 0.429 175.261 174.900 -0.114 0.000 1.875 228 G CA 0.959 46.005 45.100 -0.090 0.000 1.004 228 G HN 1.784 nan 8.290 nan 0.000 0.480 229 A N -1.118 121.463 122.820 -0.398 0.000 2.495 229 A HA 0.460 4.779 4.320 -0.002 0.000 0.297 229 A C -0.702 176.670 177.584 -0.354 0.000 1.036 229 A CA -0.670 51.233 52.037 -0.224 0.000 0.982 229 A CB 0.412 19.385 19.000 -0.045 0.000 1.476 229 A HN 0.387 nan 8.150 nan 0.000 0.393 230 I N 2.575 122.975 120.570 -0.284 0.000 2.634 230 I HA 0.277 4.446 4.170 -0.002 0.000 0.284 230 I C 0.220 176.171 176.117 -0.276 0.000 1.124 230 I CA 0.252 61.379 61.300 -0.288 0.000 1.417 230 I CB 0.595 38.377 38.000 -0.363 0.000 1.396 230 I HN 0.509 nan 8.210 nan 0.000 0.571 231 I N 6.803 127.214 120.570 -0.265 0.000 2.466 231 I HA 0.449 4.618 4.170 -0.002 0.000 0.289 231 I C -0.402 175.628 176.117 -0.144 0.000 1.026 231 I CA -0.455 60.738 61.300 -0.179 0.000 1.078 231 I CB 2.207 40.123 38.000 -0.140 0.000 1.249 231 I HN 0.350 nan 8.210 nan 0.000 0.429 232 I N 4.740 125.248 120.570 -0.103 0.000 2.608 232 I HA 0.760 4.929 4.170 -0.002 0.000 0.295 232 I C 0.193 176.286 176.117 -0.041 0.000 1.049 232 I CA -0.443 60.814 61.300 -0.072 0.000 1.063 232 I CB 2.247 40.207 38.000 -0.066 0.000 1.248 232 I HN 0.644 nan 8.210 nan 0.000 0.424 233 G N 3.221 112.003 108.800 -0.030 0.000 2.788 233 G HA2 0.358 4.317 3.960 -0.002 0.000 0.293 233 G HA3 0.358 4.317 3.960 -0.002 0.000 0.293 233 G C -1.516 173.378 174.900 -0.010 0.000 1.392 233 G CA -0.570 44.518 45.100 -0.020 0.000 0.810 233 G HN 0.439 nan 8.290 nan 0.000 0.508 234 Q N 1.041 120.836 119.800 -0.008 0.000 2.330 234 Q HA 0.138 4.477 4.340 -0.002 0.000 0.279 234 Q C 0.228 176.228 176.000 -0.001 0.000 1.024 234 Q CA 0.939 56.741 55.803 -0.001 0.000 0.900 234 Q CB 0.572 29.308 28.738 -0.003 0.000 1.221 234 Q HN 0.874 nan 8.270 nan 0.000 0.396 235 E N 0.471 120.675 120.200 0.007 0.000 2.197 235 E HA -0.262 4.087 4.350 -0.002 0.000 0.184 235 E C -1.023 175.574 176.600 -0.006 0.000 1.439 235 E CA 0.657 57.059 56.400 0.003 0.000 0.688 235 E CB -1.274 28.427 29.700 0.003 0.000 1.090 235 E HN 0.428 nan 8.360 nan 0.000 0.341 236 S N 0.599 116.292 115.700 -0.012 0.000 2.785 236 S HA 0.479 4.948 4.470 -0.002 0.000 0.286 236 S C -1.629 172.944 174.600 -0.044 0.000 0.918 236 S CA -0.473 57.712 58.200 -0.026 0.000 0.866 236 S CB 0.822 64.012 63.200 -0.017 0.000 1.087 236 S HN 0.556 nan 8.310 nan 0.000 0.472 237 I N 3.939 124.467 120.570 -0.070 0.000 2.586 237 I HA 0.288 4.457 4.170 -0.002 0.000 0.281 237 I C 0.219 176.247 176.117 -0.148 0.000 1.145 237 I CA -0.467 60.770 61.300 -0.105 0.000 1.073 237 I CB 1.889 39.827 38.000 -0.104 0.000 1.238 237 I HN 0.757 nan 8.210 nan 0.000 0.461 238 T N 1.741 116.182 114.554 -0.188 0.000 2.910 238 T HA 0.646 4.995 4.350 -0.002 0.000 0.279 238 T C -0.946 173.510 174.700 -0.407 0.000 0.989 238 T CA -0.577 61.341 62.100 -0.304 0.000 0.968 238 T CB 2.323 71.034 68.868 -0.261 0.000 1.135 238 T HN 0.408 nan 8.240 nan 0.000 0.562 239 Y N 0.602 120.458 120.300 -0.741 0.000 2.441 239 Y HA 0.462 5.011 4.550 -0.002 0.000 0.334 239 Y C -1.462 174.064 175.900 -0.623 0.000 1.061 239 Y CA -0.890 56.818 58.100 -0.654 0.000 1.032 239 Y CB 1.487 39.708 38.460 -0.399 0.000 1.266 239 Y HN 0.867 nan 8.280 nan 0.000 0.441 240 H N 5.387 124.039 119.070 -0.696 0.000 2.991 240 H HA 0.240 4.795 4.556 -0.002 0.000 0.304 240 H C -0.240 174.659 175.328 -0.716 0.000 1.040 240 H CA -0.754 54.984 56.048 -0.515 0.000 1.410 240 H CB 1.346 30.980 29.762 -0.213 0.000 1.529 240 H HN 0.823 nan 8.280 nan 0.000 0.509 241 N N 3.190 121.569 118.700 -0.535 0.000 2.187 241 N HA 0.024 4.763 4.740 -0.002 0.000 0.191 241 N C 0.892 176.253 175.510 -0.249 0.000 1.057 241 N CA 1.232 54.120 53.050 -0.270 0.000 0.913 241 N CB 0.118 38.679 38.487 0.123 0.000 1.089 241 N HN 0.676 nan 8.380 nan 0.000 0.472 242 G N -1.159 107.513 108.800 -0.212 0.000 4.370 242 G HA2 0.393 4.352 3.960 -0.002 0.000 0.295 242 G HA3 0.393 4.352 3.960 -0.002 0.000 0.295 242 G C -0.745 174.023 174.900 -0.221 0.000 1.312 242 G CA 0.085 45.088 45.100 -0.162 0.000 0.845 242 G HN 0.579 nan 8.290 nan 0.000 0.531 243 D N -0.682 119.418 120.400 -0.501 0.000 2.413 243 D HA -0.156 4.483 4.640 -0.002 0.000 0.171 243 D C 1.047 177.235 176.300 -0.186 0.000 0.895 243 D CA 1.152 54.954 54.000 -0.330 0.000 0.985 243 D CB -0.772 39.946 40.800 -0.137 0.000 1.047 243 D HN 0.525 nan 8.370 nan 0.000 0.486 244 K N -0.645 119.684 120.400 -0.119 0.000 2.155 244 K HA 0.551 4.870 4.320 -0.002 0.000 0.237 244 K C -0.520 176.165 176.600 0.142 0.000 1.040 244 K CA -0.338 55.971 56.287 0.037 0.000 0.912 244 K CB 0.805 33.376 32.500 0.117 0.000 1.137 244 K HN 0.161 nan 8.250 nan 0.000 0.498 245 Y N -0.016 120.317 120.300 0.054 0.000 2.465 245 Y HA 0.345 4.894 4.550 -0.002 0.000 0.323 245 Y C -1.942 174.018 175.900 0.099 0.000 1.191 245 Y CA -0.770 57.389 58.100 0.099 0.000 1.082 245 Y CB 1.141 39.618 38.460 0.028 0.000 1.334 245 Y HN 0.430 nan 8.280 nan 0.000 0.449 246 L N 5.511 126.523 121.223 -0.352 0.000 2.673 246 L HA 0.774 5.113 4.340 -0.002 0.000 0.255 246 L C -1.359 175.292 176.870 -0.366 0.000 1.015 246 L CA -0.246 54.438 54.840 -0.261 0.000 0.930 246 L CB 0.579 42.529 42.059 -0.181 0.000 1.185 246 L HN 0.839 nan 8.230 nan 0.000 0.457 247 A N 4.848 127.445 122.820 -0.372 0.000 2.269 247 A HA 0.948 5.267 4.320 -0.002 0.000 0.319 247 A C -0.568 176.936 177.584 -0.132 0.000 1.110 247 A CA -0.541 51.343 52.037 -0.255 0.000 0.847 247 A CB 1.168 20.072 19.000 -0.159 0.000 1.161 247 A HN 0.697 nan 8.150 nan 0.000 0.497 248 I N -3.249 117.257 120.570 -0.108 0.000 2.722 248 I HA 0.676 4.845 4.170 -0.002 0.000 0.292 248 I C -0.426 175.652 176.117 -0.065 0.000 1.267 248 I CA -0.857 60.393 61.300 -0.083 0.000 1.036 248 I CB 2.164 40.103 38.000 -0.102 0.000 1.281 248 I HN 0.609 nan 8.210 nan 0.000 0.423 249 A N 5.098 127.888 122.820 -0.049 0.000 3.056 249 A HA 0.692 5.011 4.320 -0.002 0.000 0.328 249 A C -2.520 175.037 177.584 -0.045 0.000 1.233 249 A CA -1.455 50.559 52.037 -0.038 0.000 0.965 249 A CB -0.623 18.364 19.000 -0.022 0.000 1.123 249 A HN 0.578 nan 8.150 nan 0.000 0.502 250 P HA 0.109 nan 4.420 nan 0.000 0.257 250 P C -2.069 175.197 177.300 -0.057 0.000 1.189 250 P CA -0.589 62.463 63.100 -0.080 0.000 0.780 250 P CB 0.413 32.046 31.700 -0.112 0.000 0.772 251 P HA -0.082 nan 4.420 nan 0.000 0.231 251 P C 0.006 177.294 177.300 -0.021 0.000 1.154 251 P CA 1.243 64.324 63.100 -0.031 0.000 0.762 251 P CB -0.134 31.546 31.700 -0.032 0.000 0.790 252 I N -0.717 119.833 120.570 -0.033 0.000 2.859 252 I HA 0.264 4.433 4.170 -0.002 0.000 0.296 252 I C 0.807 176.989 176.117 0.108 0.000 1.300 252 I CA 0.140 61.449 61.300 0.015 0.000 1.020 252 I CB 0.272 38.237 38.000 -0.058 0.000 1.823 252 I HN -0.095 nan 8.210 nan 0.000 0.599 253 I N 0.566 121.188 120.570 0.086 0.000 5.001 253 I HA -0.006 4.163 4.170 -0.002 0.000 0.386 253 I C 1.522 177.669 176.117 0.049 0.000 1.130 253 I CA 0.030 61.390 61.300 0.100 0.000 1.476 253 I CB 0.388 38.433 38.000 0.075 0.000 2.107 253 I HN 0.102 nan 8.210 nan 0.000 0.683 254 K N 1.242 121.662 120.400 0.034 0.000 2.360 254 K HA -0.143 4.176 4.320 -0.002 0.000 0.201 254 K C 1.656 178.265 176.600 0.014 0.000 1.046 254 K CA 1.331 57.629 56.287 0.019 0.000 0.940 254 K CB -0.179 32.330 32.500 0.015 0.000 0.748 254 K HN 0.308 nan 8.250 nan 0.000 0.465 255 Q N -0.051 119.760 119.800 0.019 0.000 1.775 255 Q HA 0.065 4.404 4.340 -0.002 0.000 0.303 255 Q C 0.580 176.569 176.000 -0.018 0.000 0.954 255 Q CA 1.164 56.967 55.803 0.001 0.000 0.883 255 Q CB -0.278 28.462 28.738 0.005 0.000 0.916 255 Q HN 0.277 nan 8.270 nan 0.000 0.427 256 S N -0.675 115.008 115.700 -0.029 0.000 2.638 256 S HA 0.569 5.038 4.470 -0.002 0.000 0.298 256 S C -0.179 174.400 174.600 -0.036 0.000 1.111 256 S CA -0.933 57.236 58.200 -0.051 0.000 1.027 256 S CB 1.698 64.845 63.200 -0.088 0.000 1.064 256 S HN 0.179 nan 8.310 nan 0.000 0.525 257 T N 1.834 116.366 114.554 -0.037 0.000 2.860 257 T HA 0.325 4.674 4.350 -0.002 0.000 0.299 257 T C 0.230 174.910 174.700 -0.034 0.000 1.045 257 T CA -0.339 61.747 62.100 -0.023 0.000 1.071 257 T CB -0.009 68.849 68.868 -0.017 0.000 0.985 257 T HN 0.571 nan 8.240 nan 0.000 0.537 258 I N 2.739 123.298 120.570 -0.018 0.000 2.281 258 I HA 0.121 4.290 4.170 -0.002 0.000 0.293 258 I C 1.075 177.187 176.117 -0.008 0.000 1.085 258 I CA -0.321 60.967 61.300 -0.021 0.000 1.257 258 I CB 0.927 38.932 38.000 0.007 0.000 1.430 258 I HN 0.452 nan 8.210 nan 0.000 0.489 259 V N 5.161 125.062 119.914 -0.022 0.000 2.446 259 V HA -0.102 4.017 4.120 -0.002 0.000 0.244 259 V C 0.830 176.924 176.094 -0.000 0.000 1.039 259 V CA 0.838 63.131 62.300 -0.011 0.000 1.045 259 V CB -0.014 31.795 31.823 -0.024 0.000 0.681 259 V HN 0.932 nan 8.190 nan 0.000 0.459 260 C N 0.232 119.525 119.300 -0.011 0.000 2.779 260 C HA 0.914 5.373 4.460 -0.002 0.000 0.314 260 C C -0.337 174.677 174.990 0.041 0.000 1.231 260 C CA -0.712 58.296 59.018 -0.018 0.000 1.652 260 C CB 1.080 28.782 27.740 -0.064 0.000 2.198 260 C HN 0.733 nan 8.230 nan 0.000 0.483 261 H N 0.145 119.229 119.070 0.024 0.000 2.990 261 H HA 0.849 5.404 4.556 -0.002 0.000 0.343 261 H C -1.290 174.101 175.328 0.105 0.000 1.270 261 H CA -0.453 55.631 56.048 0.060 0.000 1.118 261 H CB 1.316 31.106 29.762 0.048 0.000 1.861 261 H HN 0.925 nan 8.280 nan 0.000 0.544 262 N N -0.012 118.883 118.700 0.324 0.000 2.647 262 N HA 0.181 4.920 4.740 -0.002 0.000 0.259 262 N C -1.827 173.854 175.510 0.286 0.000 1.098 262 N CA -0.757 52.434 53.050 0.234 0.000 0.984 262 N CB 2.076 40.607 38.487 0.073 0.000 1.683 262 N HN 0.840 nan 8.380 nan 0.000 0.501 263 R N 2.729 123.325 120.500 0.159 0.000 2.347 263 R HA 0.393 4.732 4.340 -0.002 0.000 0.304 263 R C -0.046 176.107 176.300 -0.246 0.000 1.072 263 R CA -0.290 55.587 56.100 -0.372 0.000 0.980 263 R CB 0.548 30.635 30.300 -0.355 0.000 0.986 263 R HN 0.439 nan 8.270 nan 0.000 0.448 264 V N 2.676 122.357 119.914 -0.389 0.000 2.398 264 V HA -0.018 4.101 4.120 -0.002 0.000 0.236 264 V C 0.308 176.248 176.094 -0.256 0.000 1.054 264 V CA 1.059 63.134 62.300 -0.375 0.000 1.060 264 V CB -0.121 31.342 31.823 -0.600 0.000 0.707 264 V HN 0.781 nan 8.190 nan 0.000 0.480 265 D N 0.493 120.728 120.400 -0.276 0.000 2.277 265 D HA 0.212 4.851 4.640 -0.002 0.000 0.249 265 D C -1.677 174.555 176.300 -0.113 0.000 1.134 265 D CA -1.386 52.530 54.000 -0.140 0.000 0.863 265 D CB 1.706 42.439 40.800 -0.110 0.000 1.143 265 D HN 0.046 nan 8.370 nan 0.000 0.458 266 P HA -0.265 nan 4.420 nan 0.000 0.218 266 P C 1.253 178.548 177.300 -0.008 0.000 1.165 266 P CA 1.371 64.471 63.100 -0.000 0.000 0.922 266 P CB 0.051 31.778 31.700 0.045 0.000 0.794 267 N N -0.728 117.988 118.700 0.027 0.000 2.334 267 N HA -0.167 4.572 4.740 -0.002 0.000 0.187 267 N C 1.314 176.932 175.510 0.180 0.000 1.016 267 N CA 1.937 55.042 53.050 0.092 0.000 0.879 267 N CB -1.069 37.478 38.487 0.099 0.000 0.965 267 N HN 0.343 nan 8.380 nan 0.000 0.438 268 G N -0.723 108.097 108.800 0.034 0.000 2.144 268 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.218 268 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.218 268 G C 0.677 175.558 174.900 -0.032 0.000 0.988 268 G CA 0.615 45.694 45.100 -0.036 0.000 0.659 268 G HN 0.531 nan 8.290 nan 0.000 0.522 269 S N -0.579 115.156 115.700 0.059 0.000 2.399 269 S HA 0.121 4.590 4.470 -0.002 0.000 0.231 269 S C 1.341 175.921 174.600 -0.033 0.000 1.022 269 S CA 1.720 59.971 58.200 0.085 0.000 0.983 269 S CB -0.035 63.218 63.200 0.087 0.000 0.803 269 S HN 0.680 nan 8.310 nan 0.000 0.480 270 R N -1.443 118.961 120.500 -0.160 0.000 2.774 270 R HA 0.570 4.909 4.340 -0.002 0.000 0.272 270 R C -1.936 174.184 176.300 -0.301 0.000 1.000 270 R CA -0.678 55.340 56.100 -0.137 0.000 0.906 270 R CB 1.470 31.671 30.300 -0.165 0.000 1.227 270 R HN 0.211 nan 8.270 nan 0.000 0.468 271 Y N 0.200 120.443 120.300 -0.094 0.000 2.544 271 Y HA 0.418 4.967 4.550 -0.002 0.000 0.342 271 Y C -0.658 175.233 175.900 -0.015 0.000 1.062 271 Y CA -0.763 57.313 58.100 -0.041 0.000 1.023 271 Y CB 1.922 40.364 38.460 -0.031 0.000 1.308 271 Y HN 0.220 nan 8.280 nan 0.000 0.457 272 L N 3.903 125.236 121.223 0.183 0.000 2.309 272 L HA 0.645 4.984 4.340 -0.002 0.000 0.282 272 L C -1.074 175.887 176.870 0.152 0.000 1.036 272 L CA -0.710 54.205 54.840 0.124 0.000 0.806 272 L CB 1.314 43.420 42.059 0.079 0.000 1.220 272 L HN 0.439 nan 8.230 nan 0.000 0.429 273 L N 2.417 123.708 121.223 0.114 0.000 2.409 273 L HA 0.597 4.936 4.340 -0.002 0.000 0.272 273 L C 0.133 176.960 176.870 -0.071 0.000 0.980 273 L CA -0.582 54.301 54.840 0.072 0.000 0.826 273 L CB 1.967 44.103 42.059 0.129 0.000 1.268 273 L HN 0.618 nan 8.230 nan 0.000 0.407 274 G N 0.874 109.620 108.800 -0.090 0.000 2.356 274 G HA2 0.376 4.335 3.960 -0.002 0.000 0.322 274 G HA3 0.376 4.335 3.960 -0.002 0.000 0.322 274 G C -0.462 174.317 174.900 -0.203 0.000 1.125 274 G CA -0.207 44.794 45.100 -0.164 0.000 0.885 274 G HN 0.603 nan 8.290 nan 0.000 0.467 275 D N 1.041 121.267 120.400 -0.291 0.000 1.658 275 D HA 0.177 4.816 4.640 -0.002 0.000 0.319 275 D C 1.591 177.803 176.300 -0.146 0.000 1.076 275 D CA 1.001 54.847 54.000 -0.257 0.000 0.860 275 D CB 0.124 40.746 40.800 -0.296 0.000 1.368 275 D HN 0.375 nan 8.370 nan 0.000 0.468 276 M N -2.155 117.366 119.600 -0.131 0.000 2.863 276 M HA 0.063 4.542 4.480 -0.002 0.000 0.491 276 M C -0.203 176.023 176.300 -0.123 0.000 1.295 276 M CA 0.162 55.403 55.300 -0.099 0.000 1.016 276 M CB 0.464 33.011 32.600 -0.089 0.000 2.266 276 M HN 0.023 nan 8.290 nan 0.000 0.790 277 E N 0.086 120.209 120.200 -0.129 0.000 2.489 277 E HA 0.427 4.776 4.350 -0.002 0.000 0.204 277 E C 0.785 177.331 176.600 -0.089 0.000 1.006 277 E CA 1.087 57.413 56.400 -0.124 0.000 0.936 277 E CB 0.976 30.611 29.700 -0.108 0.000 1.002 277 E HN 0.600 nan 8.360 nan 0.000 0.488 278 G N 1.314 110.053 108.800 -0.101 0.000 2.215 278 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.198 278 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.198 278 G C -0.298 174.532 174.900 -0.116 0.000 1.047 278 G CA -0.263 44.785 45.100 -0.087 0.000 0.747 278 G HN 0.069 nan 8.290 nan 0.000 0.495 279 R N -0.904 119.476 120.500 -0.199 0.000 2.589 279 R HA 0.746 5.085 4.340 -0.002 0.000 0.293 279 R C -0.574 175.493 176.300 -0.387 0.000 0.963 279 R CA -0.946 54.987 56.100 -0.278 0.000 0.905 279 R CB 1.987 32.048 30.300 -0.399 0.000 1.144 279 R HN 0.202 nan 8.270 nan 0.000 0.459 280 L N 2.697 123.771 121.223 -0.249 0.000 2.329 280 L HA 0.544 4.883 4.340 -0.002 0.000 0.279 280 L C -1.211 175.676 176.870 0.029 0.000 1.014 280 L CA -0.002 54.744 54.840 -0.156 0.000 0.814 280 L CB 0.921 42.959 42.059 -0.033 0.000 1.257 280 L HN 0.582 nan 8.230 nan 0.000 0.424 281 F N 3.388 123.317 119.950 -0.035 0.000 2.990 281 F HA 0.648 5.174 4.527 -0.002 0.000 0.357 281 F C -0.433 175.324 175.800 -0.071 0.000 1.395 281 F CA -1.180 56.785 58.000 -0.058 0.000 1.087 281 F CB 1.469 40.441 39.000 -0.046 0.000 1.655 281 F HN 0.396 nan 8.300 nan 0.000 0.456 282 M N 2.242 121.927 119.600 0.143 0.000 2.457 282 M HA 0.268 4.747 4.480 -0.002 0.000 0.186 282 M C -2.194 174.097 176.300 -0.016 0.000 0.962 282 M CA -0.303 55.007 55.300 0.017 0.000 0.909 282 M CB 1.058 33.611 32.600 -0.077 0.000 2.798 282 M HN 0.268 nan 8.290 nan 0.000 0.412 283 L N 5.704 126.947 121.223 0.033 0.000 2.404 283 L HA 0.510 4.849 4.340 -0.002 0.000 0.277 283 L C -1.278 175.588 176.870 -0.007 0.000 1.184 283 L CA 0.252 55.086 54.840 -0.010 0.000 1.013 283 L CB -0.260 41.784 42.059 -0.024 0.000 1.318 283 L HN 0.754 nan 8.230 nan 0.000 0.435 284 L N 4.869 126.061 121.223 -0.052 0.000 2.416 284 L HA 0.234 4.573 4.340 -0.002 0.000 0.272 284 L C -0.184 176.639 176.870 -0.078 0.000 1.161 284 L CA -0.072 54.737 54.840 -0.051 0.000 0.845 284 L CB 0.532 42.555 42.059 -0.060 0.000 1.119 284 L HN 0.429 nan 8.230 nan 0.000 0.464 285 L N 3.907 125.087 121.223 -0.072 0.000 2.324 285 L HA 0.296 4.635 4.340 -0.002 0.000 0.274 285 L C -0.110 176.800 176.870 0.067 0.000 1.012 285 L CA -0.665 54.097 54.840 -0.129 0.000 0.859 285 L CB 1.083 42.861 42.059 -0.467 0.000 1.224 285 L HN 0.584 nan 8.230 nan 0.000 0.429 286 E N 3.579 123.794 120.200 0.026 0.000 2.498 286 E HA -0.001 4.348 4.350 -0.002 0.000 0.252 286 E C -0.378 176.299 176.600 0.129 0.000 1.025 286 E CA -0.026 56.405 56.400 0.052 0.000 0.938 286 E CB 0.531 30.224 29.700 -0.011 0.000 0.947 286 E HN 0.304 nan 8.360 nan 0.000 0.478 287 K N 1.786 122.246 120.400 0.100 0.000 2.267 287 K HA 0.272 4.591 4.320 -0.002 0.000 0.282 287 K C -0.205 176.364 176.600 -0.052 0.000 1.078 287 K CA -0.679 55.599 56.287 -0.016 0.000 0.903 287 K CB 0.782 33.203 32.500 -0.131 0.000 1.111 287 K HN 0.094 nan 8.250 nan 0.000 0.475 288 E N 2.371 122.536 120.200 -0.059 0.000 2.044 288 E HA 0.096 4.445 4.350 -0.002 0.000 0.282 288 E C -1.108 175.453 176.600 -0.065 0.000 1.031 288 E CA -0.402 55.967 56.400 -0.051 0.000 0.824 288 E CB 0.557 30.234 29.700 -0.039 0.000 1.076 288 E HN 0.506 nan 8.360 nan 0.000 0.395 289 E N 4.051 124.215 120.200 -0.059 0.000 2.133 289 E HA 0.148 4.497 4.350 -0.002 0.000 0.274 289 E C -0.577 175.999 176.600 -0.039 0.000 0.930 289 E CA -0.546 55.820 56.400 -0.057 0.000 0.770 289 E CB 0.501 30.165 29.700 -0.060 0.000 1.104 289 E HN 0.573 nan 8.360 nan 0.000 0.403 290 Q N 4.047 123.826 119.800 -0.035 0.000 2.173 290 Q HA 0.242 4.581 4.340 -0.002 0.000 0.186 290 Q C 0.798 176.785 176.000 -0.022 0.000 1.018 290 Q CA -0.829 54.959 55.803 -0.025 0.000 1.064 290 Q CB 0.276 29.001 28.738 -0.022 0.000 1.130 290 Q HN 0.441 nan 8.270 nan 0.000 0.553 291 M N 0.204 119.794 119.600 -0.017 0.000 2.255 291 M HA -0.167 4.312 4.480 -0.002 0.000 0.260 291 M C 0.462 176.753 176.300 -0.015 0.000 1.069 291 M CA 2.039 57.331 55.300 -0.015 0.000 1.089 291 M CB -0.697 31.896 32.600 -0.011 0.000 1.269 291 M HN 0.730 nan 8.290 nan 0.000 0.434 292 D N -2.207 118.185 120.400 -0.014 0.000 2.583 292 D HA 0.152 4.791 4.640 -0.002 0.000 0.282 292 D C 0.840 177.132 176.300 -0.013 0.000 1.485 292 D CA 0.136 54.128 54.000 -0.014 0.000 0.834 292 D CB 0.344 41.138 40.800 -0.010 0.000 1.258 292 D HN 0.375 nan 8.370 nan 0.000 0.470 293 G N 1.266 110.057 108.800 -0.014 0.000 3.340 293 G HA2 0.184 4.143 3.960 -0.002 0.000 0.240 293 G HA3 0.184 4.143 3.960 -0.002 0.000 0.240 293 G C 0.473 175.364 174.900 -0.015 0.000 1.327 293 G CA 0.710 45.803 45.100 -0.011 0.000 1.170 293 G HN 0.069 nan 8.290 nan 0.000 0.520 294 T N -2.139 112.403 114.554 -0.020 0.000 0.541 294 T HA -0.233 4.116 4.350 -0.002 0.000 0.774 294 T C 0.099 174.773 174.700 -0.045 0.000 0.992 294 T CA 0.388 62.472 62.100 -0.027 0.000 4.077 294 T CB -1.113 67.745 68.868 -0.018 0.000 2.303 294 T HN 1.275 nan 8.240 nan 0.000 0.398 295 V N -1.699 118.176 119.914 -0.064 0.000 2.513 295 V HA 0.937 5.056 4.120 -0.002 0.000 0.299 295 V C 0.119 176.142 176.094 -0.119 0.000 1.035 295 V CA 0.280 62.516 62.300 -0.107 0.000 0.889 295 V CB 1.822 33.552 31.823 -0.155 0.000 0.988 295 V HN 1.278 nan 8.190 nan 0.000 0.440 296 T N 3.476 117.955 114.554 -0.124 0.000 2.778 296 T HA 0.605 4.954 4.350 -0.002 0.000 0.293 296 T C -1.383 173.267 174.700 -0.083 0.000 1.144 296 T CA -0.589 61.461 62.100 -0.084 0.000 1.010 296 T CB 1.592 70.446 68.868 -0.023 0.000 1.325 296 T HN 1.034 nan 8.240 nan 0.000 0.515 297 L N 3.118 124.355 121.223 0.024 0.000 2.278 297 L HA 0.516 4.855 4.340 -0.002 0.000 0.287 297 L C 1.230 178.079 176.870 -0.035 0.000 1.072 297 L CA 0.228 55.115 54.840 0.078 0.000 0.819 297 L CB 0.384 42.449 42.059 0.010 0.000 1.176 297 L HN 0.771 nan 8.230 nan 0.000 0.435 298 K N 2.957 123.347 120.400 -0.017 0.000 1.991 298 K HA 0.011 4.330 4.320 -0.002 0.000 0.208 298 K C -0.026 176.529 176.600 -0.075 0.000 1.038 298 K CA 0.949 57.211 56.287 -0.042 0.000 0.943 298 K CB 0.186 32.670 32.500 -0.027 0.000 0.736 298 K HN 0.768 nan 8.250 nan 0.000 0.440 299 D N -1.329 119.023 120.400 -0.079 0.000 2.610 299 D HA 0.374 5.013 4.640 -0.002 0.000 0.271 299 D C -1.946 174.272 176.300 -0.137 0.000 1.174 299 D CA -0.641 53.294 54.000 -0.108 0.000 0.949 299 D CB 1.537 42.291 40.800 -0.077 0.000 1.430 299 D HN 0.006 nan 8.370 nan 0.000 0.467 300 L N 1.660 122.793 121.223 -0.149 0.000 2.377 300 L HA 0.498 4.837 4.340 -0.002 0.000 0.270 300 L C -0.013 176.780 176.870 -0.128 0.000 0.991 300 L CA -0.439 54.306 54.840 -0.160 0.000 0.851 300 L CB 1.356 43.297 42.059 -0.196 0.000 1.218 300 L HN 0.306 nan 8.230 nan 0.000 0.420 301 R N 1.850 122.281 120.500 -0.114 0.000 2.643 301 R HA 0.894 5.233 4.340 -0.002 0.000 0.272 301 R C -1.427 174.795 176.300 -0.131 0.000 0.995 301 R CA -0.630 55.402 56.100 -0.114 0.000 1.032 301 R CB 1.893 32.135 30.300 -0.098 0.000 1.126 301 R HN 0.342 nan 8.270 nan 0.000 0.505 302 V N 2.672 122.488 119.914 -0.163 0.000 2.531 302 V HA 0.335 4.454 4.120 -0.002 0.000 0.301 302 V C -0.945 174.967 176.094 -0.303 0.000 1.034 302 V CA -0.525 61.643 62.300 -0.221 0.000 0.865 302 V CB 1.734 33.413 31.823 -0.240 0.000 0.995 302 V HN 0.857 nan 8.190 nan 0.000 0.424 303 E N 4.151 124.158 120.200 -0.322 0.000 2.266 303 E HA 0.543 4.892 4.350 -0.002 0.000 0.268 303 E C -1.313 175.051 176.600 -0.393 0.000 0.879 303 E CA -0.812 55.386 56.400 -0.337 0.000 0.762 303 E CB 2.340 31.894 29.700 -0.243 0.000 1.199 303 E HN 0.696 nan 8.360 nan 0.000 0.422 304 L N 5.459 126.474 121.223 -0.346 0.000 2.349 304 L HA 0.266 4.605 4.340 -0.002 0.000 0.275 304 L C -0.277 176.575 176.870 -0.030 0.000 1.115 304 L CA -0.187 54.628 54.840 -0.041 0.000 0.820 304 L CB 0.435 42.540 42.059 0.077 0.000 1.135 304 L HN 0.802 nan 8.230 nan 0.000 0.445 305 L N 5.036 126.312 121.223 0.089 0.000 2.693 305 L HA 0.475 4.814 4.340 -0.002 0.000 0.235 305 L C 0.787 177.756 176.870 0.165 0.000 1.127 305 L CA 0.432 55.245 54.840 -0.044 0.000 0.914 305 L CB 0.040 42.072 42.059 -0.046 0.000 1.193 305 L HN 0.993 nan 8.230 nan 0.000 0.502 306 G N 1.176 110.081 108.800 0.176 0.000 2.353 306 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.615 306 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.615 306 G C -1.138 173.809 174.900 0.078 0.000 1.280 306 G CA -0.526 44.662 45.100 0.146 0.000 1.000 306 G HN 0.202 nan 8.290 nan 0.000 0.516 307 E N -1.032 119.195 120.200 0.046 0.000 2.191 307 E HA 0.735 5.084 4.350 -0.002 0.000 0.274 307 E C 0.531 177.126 176.600 -0.009 0.000 0.948 307 E CA -0.018 56.384 56.400 0.002 0.000 0.802 307 E CB 2.111 31.812 29.700 0.001 0.000 1.137 307 E HN 0.756 nan 8.360 nan 0.000 0.397 308 T N 1.643 116.174 114.554 -0.037 0.000 3.160 308 T HA 0.388 4.737 4.350 -0.002 0.000 0.251 308 T C -0.359 174.314 174.700 -0.044 0.000 1.088 308 T CA 0.114 62.186 62.100 -0.046 0.000 1.119 308 T CB 0.128 68.954 68.868 -0.070 0.000 2.590 308 T HN 0.726 nan 8.240 nan 0.000 0.482 309 S N 0.660 116.324 115.700 -0.060 0.000 2.737 309 S HA 0.437 4.906 4.470 -0.002 0.000 0.269 309 S C -0.388 174.178 174.600 -0.056 0.000 1.150 309 S CA -0.813 57.359 58.200 -0.047 0.000 1.077 309 S CB -0.409 62.761 63.200 -0.051 0.000 1.075 309 S HN 0.785 nan 8.310 nan 0.000 0.476 310 I N 2.546 123.095 120.570 -0.036 0.000 2.770 310 I HA -0.215 3.954 4.170 -0.002 0.000 0.144 310 I C 0.933 177.017 176.117 -0.055 0.000 0.891 310 I CA 0.995 62.276 61.300 -0.032 0.000 2.752 310 I CB -0.789 37.229 38.000 0.030 0.000 0.585 310 I HN 0.863 nan 8.210 nan 0.000 0.353 311 A N 6.857 129.630 122.820 -0.079 0.000 2.312 311 A HA 0.431 4.750 4.320 -0.002 0.000 0.328 311 A C 0.922 178.458 177.584 -0.079 0.000 1.158 311 A CA -0.596 51.381 52.037 -0.101 0.000 0.821 311 A CB 1.485 20.404 19.000 -0.134 0.000 1.170 311 A HN 0.738 nan 8.150 nan 0.000 0.490 312 E N -0.273 119.878 120.200 -0.082 0.000 2.166 312 E HA 0.067 4.416 4.350 -0.002 0.000 0.192 312 E C 0.267 176.826 176.600 -0.069 0.000 0.967 312 E CA 1.353 57.717 56.400 -0.060 0.000 0.840 312 E CB 0.300 29.970 29.700 -0.051 0.000 0.795 312 E HN 0.855 nan 8.360 nan 0.000 0.470 313 C N -0.678 118.567 119.300 -0.091 0.000 3.291 313 C HA 0.854 5.313 4.460 -0.002 0.000 0.316 313 C C -1.524 173.388 174.990 -0.129 0.000 1.391 313 C CA -1.408 57.557 59.018 -0.088 0.000 1.394 313 C CB 0.887 28.598 27.740 -0.048 0.000 1.744 313 C HN 0.160 nan 8.230 nan 0.000 0.461 314 L N -0.708 120.463 121.223 -0.087 0.000 2.643 314 L HA 0.876 5.215 4.340 -0.002 0.000 0.257 314 L C -0.525 176.359 176.870 0.022 0.000 0.922 314 L CA -0.372 54.418 54.840 -0.083 0.000 0.909 314 L CB 1.107 43.109 42.059 -0.095 0.000 1.424 314 L HN 1.196 nan 8.230 nan 0.000 0.422 315 T N -1.277 113.340 114.554 0.104 0.000 2.909 315 T HA 0.627 4.976 4.350 -0.002 0.000 0.299 315 T C -1.039 173.770 174.700 0.181 0.000 1.073 315 T CA -0.572 61.613 62.100 0.141 0.000 0.999 315 T CB 1.491 70.441 68.868 0.136 0.000 1.098 315 T HN 0.712 nan 8.240 nan 0.000 0.477 316 Y N 2.342 122.667 120.300 0.043 0.000 2.359 316 Y HA 0.476 5.025 4.550 -0.002 0.000 0.334 316 Y C 0.522 176.442 175.900 0.033 0.000 1.058 316 Y CA -1.099 57.021 58.100 0.034 0.000 1.244 316 Y CB 0.343 38.809 38.460 0.010 0.000 1.187 316 Y HN 0.718 nan 8.280 nan 0.000 0.510 317 L N 2.628 123.588 121.223 -0.438 0.000 2.208 317 L HA 0.285 4.624 4.340 -0.002 0.000 0.196 317 L C -0.320 176.262 176.870 -0.480 0.000 1.130 317 L CA 0.573 55.214 54.840 -0.333 0.000 0.791 317 L CB 0.081 42.012 42.059 -0.213 0.000 0.969 317 L HN 0.567 nan 8.230 nan 0.000 0.468 318 D N -2.278 117.730 120.400 -0.653 0.000 2.720 318 D HA 0.107 4.746 4.640 -0.002 0.000 0.230 318 D C -1.297 174.851 176.300 -0.254 0.000 1.057 318 D CA -0.515 53.224 54.000 -0.435 0.000 0.793 318 D CB 0.330 41.035 40.800 -0.159 0.000 2.805 318 D HN 0.242 nan 8.370 nan 0.000 0.464 319 N N 1.961 120.606 118.700 -0.091 0.000 2.815 319 N HA -0.044 4.695 4.740 -0.002 0.000 0.248 319 N C 0.775 176.300 175.510 0.025 0.000 1.110 319 N CA 1.935 54.988 53.050 0.005 0.000 0.699 319 N CB -1.193 37.287 38.487 -0.011 0.000 1.040 319 N HN 1.134 nan 8.380 nan 0.000 0.555 320 G N -2.807 106.049 108.800 0.092 0.000 2.143 320 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.249 320 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.249 320 G C -0.054 174.891 174.900 0.074 0.000 0.981 320 G CA 0.202 45.396 45.100 0.157 0.000 0.665 320 G HN 0.589 nan 8.290 nan 0.000 0.528 321 V N 0.695 120.561 119.914 -0.080 0.000 2.398 321 V HA 0.673 4.792 4.120 -0.002 0.000 0.286 321 V C 0.332 176.376 176.094 -0.083 0.000 1.026 321 V CA -0.742 61.519 62.300 -0.066 0.000 0.868 321 V CB 1.835 33.608 31.823 -0.082 0.000 0.982 321 V HN 0.272 nan 8.190 nan 0.000 0.443 322 V N 5.279 125.219 119.914 0.042 0.000 2.604 322 V HA 0.447 4.566 4.120 -0.002 0.000 0.305 322 V C -0.619 175.553 176.094 0.130 0.000 1.043 322 V CA -0.694 61.665 62.300 0.098 0.000 0.888 322 V CB 1.897 33.807 31.823 0.146 0.000 0.995 322 V HN 0.703 nan 8.190 nan 0.000 0.429 323 F N 5.395 125.342 119.950 -0.005 0.000 2.411 323 F HA 0.629 5.155 4.527 -0.002 0.000 0.350 323 F C -0.171 175.636 175.800 0.011 0.000 1.114 323 F CA -0.602 57.399 58.000 0.002 0.000 1.135 323 F CB 1.251 40.237 39.000 -0.023 0.000 1.120 323 F HN 0.235 nan 8.300 nan 0.000 0.495 324 V N 6.405 125.874 119.914 -0.742 0.000 2.328 324 V HA 0.449 4.568 4.120 -0.002 0.000 0.278 324 V C 0.490 176.011 176.094 -0.957 0.000 1.021 324 V CA -0.655 61.245 62.300 -0.667 0.000 0.838 324 V CB 0.954 32.596 31.823 -0.303 0.000 0.999 324 V HN 0.989 nan 8.190 nan 0.000 0.447 325 G N 2.918 111.236 108.800 -0.803 0.000 2.327 325 G HA2 0.446 4.405 3.960 -0.002 0.000 0.302 325 G HA3 0.446 4.405 3.960 -0.002 0.000 0.302 325 G C -0.140 174.629 174.900 -0.219 0.000 1.113 325 G CA -0.106 44.709 45.100 -0.477 0.000 0.921 325 G HN 0.629 nan 8.290 nan 0.000 0.425 326 S N 1.443 117.059 115.700 -0.139 0.000 2.537 326 S HA 0.503 4.972 4.470 -0.002 0.000 0.301 326 S C 1.014 175.586 174.600 -0.046 0.000 1.092 326 S CA -0.834 57.316 58.200 -0.082 0.000 1.048 326 S CB 1.825 64.984 63.200 -0.069 0.000 1.053 326 S HN 0.680 nan 8.310 nan 0.000 0.501 327 R N 2.840 123.314 120.500 -0.043 0.000 2.369 327 R HA 0.407 4.746 4.340 -0.002 0.000 0.210 327 R C 0.972 177.242 176.300 -0.050 0.000 0.881 327 R CA 0.290 56.366 56.100 -0.041 0.000 1.031 327 R CB -0.002 30.272 30.300 -0.043 0.000 1.184 327 R HN 0.692 nan 8.270 nan 0.000 0.581 328 L N -0.284 120.912 121.223 -0.046 0.000 2.477 328 L HA 0.394 4.733 4.340 -0.002 0.000 0.220 328 L C 0.963 177.795 176.870 -0.064 0.000 1.106 328 L CA 0.283 55.085 54.840 -0.064 0.000 0.851 328 L CB 0.856 42.898 42.059 -0.028 0.000 0.994 328 L HN 0.213 nan 8.230 nan 0.000 0.462 329 G N -1.585 107.186 108.800 -0.048 0.000 2.706 329 G HA2 0.241 4.200 3.960 -0.002 0.000 0.307 329 G HA3 0.241 4.200 3.960 -0.002 0.000 0.307 329 G C -1.721 173.156 174.900 -0.038 0.000 1.307 329 G CA -0.552 44.517 45.100 -0.051 0.000 0.790 329 G HN -0.223 nan 8.290 nan 0.000 0.503 330 D N 0.924 121.300 120.400 -0.039 0.000 2.425 330 D HA 0.413 5.052 4.640 -0.002 0.000 0.247 330 D C 0.647 176.939 176.300 -0.014 0.000 1.147 330 D CA 0.511 54.502 54.000 -0.015 0.000 0.879 330 D CB 1.229 42.010 40.800 -0.031 0.000 1.179 330 D HN 0.173 nan 8.370 nan 0.000 0.456 331 S N 1.579 117.313 115.700 0.056 0.000 2.592 331 S HA 0.334 4.803 4.470 -0.002 0.000 0.271 331 S C 0.284 174.906 174.600 0.037 0.000 1.326 331 S CA -0.667 57.568 58.200 0.059 0.000 1.024 331 S CB 0.921 64.255 63.200 0.224 0.000 0.921 331 S HN 0.452 nan 8.310 nan 0.000 0.527 332 Q N 0.414 120.175 119.800 -0.065 0.000 2.565 332 Q HA 0.696 5.035 4.340 -0.002 0.000 0.294 332 Q C -1.974 173.998 176.000 -0.046 0.000 1.005 332 Q CA -1.068 54.631 55.803 -0.173 0.000 0.771 332 Q CB 1.102 29.734 28.738 -0.176 0.000 1.486 332 Q HN 0.399 nan 8.270 nan 0.000 0.422 333 L N 1.823 122.974 121.223 -0.120 0.000 2.325 333 L HA 0.633 4.972 4.340 -0.002 0.000 0.281 333 L C -1.119 175.731 176.870 -0.035 0.000 1.004 333 L CA -0.541 54.313 54.840 0.023 0.000 0.823 333 L CB 1.863 43.931 42.059 0.015 0.000 1.236 333 L HN 0.632 nan 8.230 nan 0.000 0.415 334 V N 1.538 121.454 119.914 0.003 0.000 2.735 334 V HA 0.737 4.856 4.120 -0.002 0.000 0.310 334 V C -0.622 175.490 176.094 0.030 0.000 1.061 334 V CA -1.051 61.250 62.300 0.002 0.000 0.913 334 V CB 1.777 33.599 31.823 -0.001 0.000 1.005 334 V HN 0.685 nan 8.190 nan 0.000 0.428 335 K N 3.600 124.018 120.400 0.030 0.000 2.183 335 K HA 0.652 4.971 4.320 -0.002 0.000 0.274 335 K C -1.150 175.495 176.600 0.076 0.000 1.009 335 K CA -0.495 55.821 56.287 0.048 0.000 0.888 335 K CB 1.165 33.684 32.500 0.031 0.000 1.078 335 K HN 0.884 nan 8.250 nan 0.000 0.459 336 L N 4.620 125.907 121.223 0.107 0.000 2.265 336 L HA 0.391 4.730 4.340 -0.002 0.000 0.289 336 L C -0.466 176.487 176.870 0.138 0.000 1.033 336 L CA -0.665 54.257 54.840 0.137 0.000 0.814 336 L CB 1.255 43.407 42.059 0.153 0.000 1.203 336 L HN 0.734 nan 8.230 nan 0.000 0.423 337 N N 0.431 119.223 118.700 0.153 0.000 2.417 337 N HA 0.277 5.016 4.740 -0.002 0.000 0.300 337 N C 0.722 176.356 175.510 0.208 0.000 1.102 337 N CA -0.588 52.537 53.050 0.125 0.000 0.886 337 N CB 2.141 40.662 38.487 0.056 0.000 1.203 337 N HN 0.350 nan 8.380 nan 0.000 0.496 338 V N -2.520 117.486 119.914 0.154 0.000 3.623 338 V HA 0.237 4.356 4.120 -0.002 0.000 0.271 338 V C -0.271 175.879 176.094 0.094 0.000 1.248 338 V CA 0.800 63.220 62.300 0.199 0.000 1.156 338 V CB -0.293 31.602 31.823 0.121 0.000 0.870 338 V HN 0.486 nan 8.190 nan 0.000 0.453 339 D N 2.312 122.697 120.400 -0.025 0.000 2.483 339 D HA 0.229 4.868 4.640 -0.002 0.000 0.281 339 D C 0.229 176.362 176.300 -0.278 0.000 1.174 339 D CA 0.199 54.120 54.000 -0.132 0.000 0.938 339 D CB 1.259 42.020 40.800 -0.065 0.000 1.002 339 D HN 0.553 nan 8.370 nan 0.000 0.501 340 S N 1.971 117.279 115.700 -0.654 0.000 2.946 340 S HA -0.098 4.371 4.470 -0.002 0.000 0.349 340 S C 1.200 175.608 174.600 -0.321 0.000 1.189 340 S CA -0.640 57.129 58.200 -0.718 0.000 1.285 340 S CB 0.173 62.615 63.200 -1.263 0.000 1.010 340 S HN 0.410 nan 8.310 nan 0.000 0.538 341 N N 3.489 122.074 118.700 -0.192 0.000 2.228 341 N HA -0.149 4.590 4.740 -0.002 0.000 0.250 341 N C 0.388 175.843 175.510 -0.092 0.000 1.249 341 N CA 0.285 53.268 53.050 -0.111 0.000 0.884 341 N CB -0.561 37.885 38.487 -0.070 0.000 0.947 341 N HN 0.848 nan 8.380 nan 0.000 0.419 342 E N -1.348 118.817 120.200 -0.059 0.000 2.428 342 E HA -0.084 4.265 4.350 -0.002 0.000 0.257 342 E C -0.171 176.405 176.600 -0.040 0.000 1.197 342 E CA -0.150 56.224 56.400 -0.043 0.000 0.974 342 E CB 0.008 29.690 29.700 -0.030 0.000 0.976 342 E HN 0.547 nan 8.360 nan 0.000 0.463 343 Q N -0.547 119.237 119.800 -0.027 0.000 2.264 343 Q HA -0.300 4.039 4.340 -0.002 0.000 0.207 343 Q C 0.842 176.835 176.000 -0.012 0.000 0.702 343 Q CA 0.962 56.756 55.803 -0.015 0.000 1.411 343 Q CB -2.049 26.684 28.738 -0.008 0.000 1.717 343 Q HN 1.173 nan 8.270 nan 0.000 0.683 344 G N 0.599 109.374 108.800 -0.043 0.000 2.273 344 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.280 344 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.280 344 G C -0.162 174.723 174.900 -0.025 0.000 1.047 344 G CA 0.625 45.687 45.100 -0.064 0.000 0.869 344 G HN 0.486 nan 8.290 nan 0.000 0.502 345 S N -0.707 114.974 115.700 -0.032 0.000 2.448 345 S HA 0.617 5.086 4.470 -0.002 0.000 0.320 345 S C 1.340 175.964 174.600 0.039 0.000 1.071 345 S CA -0.579 57.657 58.200 0.061 0.000 1.113 345 S CB 0.489 63.718 63.200 0.049 0.000 0.972 345 S HN 0.279 nan 8.310 nan 0.000 0.465 346 Y N 3.694 124.008 120.300 0.024 0.000 2.314 346 Y HA 0.011 4.560 4.550 -0.002 0.000 0.293 346 Y C 1.350 177.265 175.900 0.025 0.000 1.129 346 Y CA 0.582 58.696 58.100 0.025 0.000 1.201 346 Y CB -0.588 37.890 38.460 0.031 0.000 0.999 346 Y HN 0.591 nan 8.280 nan 0.000 0.541 347 V N -0.881 119.149 119.914 0.194 0.000 2.732 347 V HA 0.580 4.699 4.120 -0.002 0.000 0.297 347 V C -0.163 175.968 176.094 0.061 0.000 1.060 347 V CA -1.228 61.138 62.300 0.110 0.000 1.038 347 V CB 1.347 33.220 31.823 0.083 0.000 1.003 347 V HN -0.156 nan 8.190 nan 0.000 0.481 348 V N 2.742 122.680 119.914 0.040 0.000 2.777 348 V HA 0.725 4.844 4.120 -0.002 0.000 0.306 348 V C 0.426 176.519 176.094 -0.002 0.000 1.112 348 V CA -0.254 62.055 62.300 0.015 0.000 0.917 348 V CB 1.537 33.366 31.823 0.011 0.000 1.018 348 V HN 1.430 nan 8.190 nan 0.000 0.426 349 A N 4.832 127.641 122.820 -0.019 0.000 2.483 349 A HA 0.567 4.886 4.320 -0.002 0.000 0.238 349 A C 0.705 178.258 177.584 -0.051 0.000 1.070 349 A CA 0.350 52.359 52.037 -0.046 0.000 0.770 349 A CB 0.319 19.283 19.000 -0.060 0.000 1.008 349 A HN 0.937 nan 8.150 nan 0.000 0.497 350 M N -0.156 119.399 119.600 -0.075 0.000 2.564 350 M HA 0.225 4.704 4.480 -0.002 0.000 0.254 350 M C 0.157 176.388 176.300 -0.114 0.000 1.299 350 M CA 0.853 56.111 55.300 -0.069 0.000 1.143 350 M CB 0.591 33.164 32.600 -0.046 0.000 1.427 350 M HN 0.825 nan 8.290 nan 0.000 0.538 351 E N -0.483 119.591 120.200 -0.210 0.000 2.380 351 E HA 0.282 4.631 4.350 -0.002 0.000 0.281 351 E C -1.433 174.847 176.600 -0.534 0.000 0.999 351 E CA -0.353 55.842 56.400 -0.341 0.000 0.800 351 E CB 2.680 32.138 29.700 -0.403 0.000 1.228 351 E HN -0.128 nan 8.360 nan 0.000 0.436 352 T N 1.897 116.174 114.554 -0.462 0.000 2.792 352 T HA 0.460 4.809 4.350 -0.002 0.000 0.280 352 T C -0.808 173.690 174.700 -0.337 0.000 0.990 352 T CA -0.458 61.413 62.100 -0.381 0.000 0.960 352 T CB 0.187 68.955 68.868 -0.167 0.000 0.939 352 T HN 0.219 nan 8.240 nan 0.000 0.439 353 F N 2.261 122.217 119.950 0.010 0.000 2.334 353 F HA 0.295 4.821 4.527 -0.002 0.000 0.367 353 F C 1.476 177.278 175.800 0.003 0.000 1.115 353 F CA -1.116 56.895 58.000 0.018 0.000 1.116 353 F CB 1.007 40.039 39.000 0.054 0.000 1.230 353 F HN 0.457 nan 8.300 nan 0.000 0.484 354 T N 2.464 117.118 114.554 0.167 0.000 2.849 354 T HA -0.119 4.230 4.350 -0.002 0.000 0.289 354 T C -0.240 174.500 174.700 0.066 0.000 1.010 354 T CA 0.228 62.373 62.100 0.074 0.000 1.161 354 T CB -0.173 68.721 68.868 0.044 0.000 0.989 354 T HN 0.601 nan 8.240 nan 0.000 0.523 355 N N 4.544 123.260 118.700 0.027 0.000 2.549 355 N HA 0.223 4.962 4.740 -0.002 0.000 0.281 355 N C 0.476 175.974 175.510 -0.020 0.000 1.084 355 N CA -0.702 52.355 53.050 0.012 0.000 0.862 355 N CB 0.657 39.153 38.487 0.014 0.000 1.333 355 N HN 0.650 nan 8.380 nan 0.000 0.523 356 L N 2.442 123.652 121.223 -0.022 0.000 2.784 356 L HA 0.133 4.472 4.340 -0.002 0.000 0.247 356 L C 1.703 178.548 176.870 -0.043 0.000 1.162 356 L CA 0.419 55.236 54.840 -0.037 0.000 0.881 356 L CB -1.295 40.745 42.059 -0.031 0.000 1.032 356 L HN 0.819 nan 8.230 nan 0.000 0.446 357 G N 1.298 110.074 108.800 -0.040 0.000 2.477 357 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.740 357 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.740 357 G C -2.234 172.634 174.900 -0.052 0.000 1.399 357 G CA -0.571 44.498 45.100 -0.050 0.000 0.902 357 G HN 0.221 nan 8.290 nan 0.000 0.507 358 P HA 0.283 nan 4.420 nan 0.000 0.271 358 P C -0.036 177.233 177.300 -0.052 0.000 1.226 358 P CA 0.173 63.235 63.100 -0.063 0.000 0.765 358 P CB 0.387 32.026 31.700 -0.101 0.000 0.835 359 I N 4.337 124.893 120.570 -0.023 0.000 2.276 359 I HA 0.036 4.205 4.170 -0.002 0.000 0.290 359 I C 1.625 177.736 176.117 -0.009 0.000 1.109 359 I CA -0.177 61.110 61.300 -0.021 0.000 1.229 359 I CB 1.077 39.071 38.000 -0.011 0.000 1.452 359 I HN 0.213 nan 8.210 nan 0.000 0.497 360 V N 4.983 124.884 119.914 -0.021 0.000 2.548 360 V HA -0.059 4.060 4.120 -0.002 0.000 0.249 360 V C 0.368 176.467 176.094 0.008 0.000 1.055 360 V CA 1.906 64.203 62.300 -0.005 0.000 1.065 360 V CB -0.012 31.794 31.823 -0.028 0.000 0.681 360 V HN 0.822 nan 8.190 nan 0.000 0.462 361 D N -1.297 119.106 120.400 0.005 0.000 2.653 361 D HA 0.530 5.169 4.640 -0.002 0.000 0.258 361 D C -0.852 175.466 176.300 0.030 0.000 1.252 361 D CA -0.231 53.784 54.000 0.024 0.000 0.777 361 D CB 1.736 42.560 40.800 0.041 0.000 1.339 361 D HN 0.363 nan 8.370 nan 0.000 0.422 362 M N -0.323 119.309 119.600 0.052 0.000 2.895 362 M HA 0.664 5.143 4.480 -0.002 0.000 0.271 362 M C -1.690 174.667 176.300 0.096 0.000 1.174 362 M CA -0.846 54.493 55.300 0.066 0.000 0.816 362 M CB 1.901 34.524 32.600 0.038 0.000 1.647 362 M HN 0.690 nan 8.290 nan 0.000 0.506 363 C N -0.149 119.221 119.300 0.118 0.000 3.170 363 C HA 0.885 5.344 4.460 -0.002 0.000 0.319 363 C C -0.969 174.085 174.990 0.107 0.000 1.260 363 C CA -0.740 58.351 59.018 0.122 0.000 1.374 363 C CB 1.376 29.208 27.740 0.153 0.000 1.739 363 C HN 0.849 nan 8.230 nan 0.000 0.479 364 V N 2.366 122.327 119.914 0.078 0.000 2.370 364 V HA 0.674 4.793 4.120 -0.002 0.000 0.279 364 V C -0.085 176.014 176.094 0.009 0.000 1.029 364 V CA -0.141 62.189 62.300 0.051 0.000 0.870 364 V CB 1.224 33.077 31.823 0.050 0.000 0.984 364 V HN 0.835 nan 8.190 nan 0.000 0.451 365 V N 3.413 123.314 119.914 -0.022 0.000 2.656 365 V HA 0.391 4.510 4.120 -0.002 0.000 0.307 365 V C -0.245 175.794 176.094 -0.091 0.000 1.051 365 V CA -0.556 61.657 62.300 -0.144 0.000 0.893 365 V CB 2.219 33.842 31.823 -0.334 0.000 0.999 365 V HN 0.859 nan 8.190 nan 0.000 0.426 366 D N 4.504 124.850 120.400 -0.090 0.000 2.896 366 D HA 0.230 4.869 4.640 -0.002 0.000 0.240 366 D C 0.120 176.394 176.300 -0.044 0.000 1.193 366 D CA -0.463 53.512 54.000 -0.042 0.000 0.983 366 D CB -0.067 40.723 40.800 -0.017 0.000 1.074 366 D HN 0.468 nan 8.370 nan 0.000 0.496 367 L N 1.103 122.291 121.223 -0.058 0.000 2.628 367 L HA 0.119 4.458 4.340 -0.002 0.000 0.274 367 L C 0.900 177.780 176.870 0.018 0.000 1.209 367 L CA -0.182 54.641 54.840 -0.029 0.000 0.930 367 L CB -0.686 41.378 42.059 0.008 0.000 1.183 367 L HN 0.378 nan 8.230 nan 0.000 0.492 368 E N 1.976 122.204 120.200 0.047 0.000 6.884 368 E HA -0.281 4.068 4.350 -0.002 0.000 0.172 368 E C -0.493 176.122 176.600 0.025 0.000 1.455 368 E CA 0.067 56.496 56.400 0.048 0.000 2.484 368 E CB -0.510 29.217 29.700 0.045 0.000 1.770 368 E HN 1.042 nan 8.360 nan 0.000 0.475 369 R N 1.360 121.869 120.500 0.016 0.000 3.972 369 R HA -0.231 4.108 4.340 -0.002 0.000 0.133 369 R C -0.686 175.612 176.300 -0.003 0.000 0.492 369 R CA 1.575 57.676 56.100 0.001 0.000 0.819 369 R CB -0.749 29.546 30.300 -0.009 0.000 1.090 369 R HN 0.445 nan 8.270 nan 0.000 0.252 370 Q N 2.740 122.538 119.800 -0.004 0.000 2.276 370 Q HA 0.224 4.563 4.340 -0.002 0.000 0.267 370 Q C 0.986 176.975 176.000 -0.018 0.000 1.135 370 Q CA 0.638 56.437 55.803 -0.007 0.000 0.910 370 Q CB 1.074 29.808 28.738 -0.006 0.000 1.271 370 Q HN 0.956 nan 8.270 nan 0.000 0.417 371 G N 2.688 111.477 108.800 -0.018 0.000 4.204 371 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.198 371 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.198 371 G C -0.762 174.124 174.900 -0.023 0.000 0.964 371 G CA -0.184 44.900 45.100 -0.027 0.000 0.914 371 G HN 0.528 nan 8.290 nan 0.000 0.317 372 Q N 0.784 120.574 119.800 -0.017 0.000 2.372 372 Q HA 0.717 5.056 4.340 -0.002 0.000 0.273 372 Q C -0.036 175.961 176.000 -0.005 0.000 1.078 372 Q CA -0.285 55.511 55.803 -0.011 0.000 0.806 372 Q CB 1.727 30.457 28.738 -0.013 0.000 1.332 372 Q HN 0.636 nan 8.270 nan 0.000 0.435 373 G N 1.544 110.345 108.800 0.001 0.000 2.504 373 G HA2 0.559 4.518 3.960 -0.002 0.000 0.288 373 G HA3 0.559 4.518 3.960 -0.002 0.000 0.288 373 G C -0.918 173.989 174.900 0.012 0.000 1.182 373 G CA -0.635 44.467 45.100 0.004 0.000 0.894 373 G HN 0.624 nan 8.290 nan 0.000 0.521 374 Q N -0.532 119.278 119.800 0.017 0.000 2.394 374 Q HA 0.417 4.756 4.340 -0.002 0.000 0.273 374 Q C -1.021 175.002 176.000 0.038 0.000 1.089 374 Q CA -0.757 55.063 55.803 0.028 0.000 0.812 374 Q CB 3.040 31.800 28.738 0.036 0.000 1.353 374 Q HN 0.321 nan 8.270 nan 0.000 0.438 375 L N 2.296 123.537 121.223 0.030 0.000 2.264 375 L HA 0.410 4.749 4.340 -0.002 0.000 0.289 375 L C -0.873 176.011 176.870 0.024 0.000 1.044 375 L CA -0.786 54.073 54.840 0.032 0.000 0.807 375 L CB 1.224 43.290 42.059 0.012 0.000 1.192 375 L HN 0.365 nan 8.230 nan 0.000 0.425 376 V N 2.472 122.423 119.914 0.062 0.000 2.334 376 V HA 0.372 4.491 4.120 -0.002 0.000 0.281 376 V C 0.391 176.502 176.094 0.028 0.000 1.016 376 V CA -0.561 61.750 62.300 0.019 0.000 0.832 376 V CB 1.322 33.200 31.823 0.091 0.000 0.999 376 V HN 0.833 nan 8.190 nan 0.000 0.439 377 T N 1.299 115.833 114.554 -0.033 0.000 2.940 377 T HA 0.514 4.863 4.350 -0.002 0.000 0.288 377 T C -0.387 174.287 174.700 -0.044 0.000 1.033 377 T CA -0.621 61.467 62.100 -0.020 0.000 1.033 377 T CB 1.620 70.469 68.868 -0.032 0.000 1.079 377 T HN 0.531 nan 8.240 nan 0.000 0.496 378 C N 3.364 122.648 119.300 -0.027 0.000 2.255 378 C HA 0.850 5.309 4.460 -0.002 0.000 0.326 378 C C 0.517 175.471 174.990 -0.061 0.000 1.258 378 C CA -0.374 58.616 59.018 -0.046 0.000 1.676 378 C CB -0.883 26.842 27.740 -0.025 0.000 2.314 378 C HN 1.078 nan 8.230 nan 0.000 0.509 379 S N 2.372 118.021 115.700 -0.086 0.000 2.638 379 S HA 0.957 5.426 4.470 -0.002 0.000 0.274 379 S C -0.216 174.315 174.600 -0.116 0.000 1.157 379 S CA 0.096 58.242 58.200 -0.091 0.000 0.826 379 S CB 1.311 64.463 63.200 -0.078 0.000 1.139 379 S HN 2.050 nan 8.310 nan 0.000 0.474 380 G N 0.204 108.932 108.800 -0.120 0.000 2.568 380 G HA2 0.440 4.399 3.960 -0.002 0.000 0.222 380 G HA3 0.440 4.399 3.960 -0.002 0.000 0.222 380 G C -0.235 174.546 174.900 -0.199 0.000 1.321 380 G CA -0.171 44.846 45.100 -0.138 0.000 0.893 380 G HN 2.549 nan 8.290 nan 0.000 0.569 381 A N -2.430 120.251 122.820 -0.231 0.000 2.592 381 A HA 0.806 5.125 4.320 -0.002 0.000 0.300 381 A C 0.086 177.492 177.584 -0.297 0.000 0.994 381 A CA 0.380 52.174 52.037 -0.405 0.000 0.707 381 A CB -0.425 18.151 19.000 -0.707 0.000 1.273 381 A HN 2.525 nan 8.150 nan 0.000 0.413 382 F N -0.093 119.828 119.950 -0.048 0.000 2.183 382 F HA -0.378 4.148 4.527 -0.002 0.000 0.318 382 F C 2.191 177.976 175.800 -0.024 0.000 0.276 382 F CA 1.224 59.205 58.000 -0.032 0.000 0.912 382 F CB -0.662 38.321 39.000 -0.028 0.000 4.135 382 F HN 0.869 nan 8.300 nan 0.000 0.137 383 K N 0.709 121.251 120.400 0.238 0.000 2.442 383 K HA -0.064 4.255 4.320 -0.002 0.000 0.198 383 K C 0.869 177.495 176.600 0.044 0.000 1.042 383 K CA 2.021 58.395 56.287 0.145 0.000 0.958 383 K CB -0.189 32.397 32.500 0.143 0.000 0.766 383 K HN 0.449 nan 8.250 nan 0.000 0.474 384 E N 1.330 121.543 120.200 0.021 0.000 2.489 384 E HA 0.107 4.456 4.350 -0.002 0.000 0.193 384 E C 0.492 177.016 176.600 -0.128 0.000 1.057 384 E CA 0.122 56.482 56.400 -0.067 0.000 0.866 384 E CB 0.329 30.002 29.700 -0.045 0.000 0.916 384 E HN 0.482 nan 8.360 nan 0.000 0.500 385 G N 0.705 109.435 108.800 -0.117 0.000 2.474 385 G HA2 0.255 4.214 3.960 -0.002 0.000 0.233 385 G HA3 0.255 4.214 3.960 -0.002 0.000 0.233 385 G C 0.018 174.805 174.900 -0.189 0.000 1.278 385 G CA 0.631 45.646 45.100 -0.141 0.000 0.861 385 G HN 0.235 nan 8.290 nan 0.000 0.567 386 S N 0.425 116.023 115.700 -0.169 0.000 2.656 386 S HA 0.524 4.993 4.470 -0.002 0.000 0.265 386 S C -1.144 173.358 174.600 -0.165 0.000 1.110 386 S CA -1.075 57.011 58.200 -0.189 0.000 0.821 386 S CB 0.700 63.775 63.200 -0.208 0.000 1.099 386 S HN 0.695 nan 8.310 nan 0.000 0.471 387 L N 0.690 121.796 121.223 -0.196 0.000 2.330 387 L HA 0.788 5.127 4.340 -0.002 0.000 0.271 387 L C -0.288 176.438 176.870 -0.240 0.000 1.013 387 L CA -1.054 53.662 54.840 -0.206 0.000 0.816 387 L CB 1.614 43.518 42.059 -0.258 0.000 1.287 387 L HN 0.589 nan 8.230 nan 0.000 0.435 388 R N 2.052 122.428 120.500 -0.206 0.000 2.628 388 R HA 0.563 4.902 4.340 -0.002 0.000 0.288 388 R C -1.397 174.793 176.300 -0.183 0.000 0.980 388 R CA -0.823 55.164 56.100 -0.187 0.000 0.891 388 R CB 2.156 32.385 30.300 -0.118 0.000 1.188 388 R HN 0.370 nan 8.270 nan 0.000 0.450 389 I N 4.195 124.648 120.570 -0.194 0.000 2.359 389 I HA 0.316 4.485 4.170 -0.002 0.000 0.284 389 I C -0.224 175.861 176.117 -0.053 0.000 1.018 389 I CA -0.373 60.848 61.300 -0.131 0.000 1.173 389 I CB 0.901 38.799 38.000 -0.170 0.000 1.326 389 I HN 0.389 nan 8.210 nan 0.000 0.462 390 I N 6.499 127.057 120.570 -0.021 0.000 2.297 390 I HA 0.465 4.634 4.170 -0.002 0.000 0.291 390 I C 0.348 176.483 176.117 0.029 0.000 1.033 390 I CA -0.159 61.146 61.300 0.008 0.000 1.253 390 I CB 0.526 38.526 38.000 0.001 0.000 1.396 390 I HN 0.499 nan 8.210 nan 0.000 0.476 391 R N 5.875 126.408 120.500 0.056 0.000 2.892 391 R HA 0.610 4.949 4.340 -0.002 0.000 0.265 391 R C -0.942 175.417 176.300 0.098 0.000 1.025 391 R CA -0.752 55.380 56.100 0.054 0.000 0.982 391 R CB 1.850 32.167 30.300 0.029 0.000 1.185 391 R HN 0.881 nan 8.270 nan 0.000 0.484 392 N N 0.040 118.784 118.700 0.073 0.000 2.381 392 N HA 0.763 5.502 4.740 -0.002 0.000 0.294 392 N C -0.800 174.749 175.510 0.066 0.000 1.216 392 N CA -0.480 52.633 53.050 0.104 0.000 0.803 392 N CB 2.344 40.867 38.487 0.061 0.000 1.372 392 N HN 0.770 nan 8.380 nan 0.000 0.500 393 G N -0.115 108.741 108.800 0.093 0.000 2.355 393 G HA2 0.048 4.007 3.960 -0.002 0.000 0.619 393 G HA3 0.048 4.007 3.960 -0.002 0.000 0.619 393 G C -1.189 173.747 174.900 0.060 0.000 1.337 393 G CA -0.999 44.121 45.100 0.034 0.000 0.993 393 G HN 0.632 nan 8.290 nan 0.000 0.599 394 I N 1.359 121.932 120.570 0.006 0.000 2.496 394 I HA 0.481 4.650 4.170 -0.002 0.000 0.285 394 I C 1.346 177.401 176.117 -0.103 0.000 1.080 394 I CA 0.354 61.658 61.300 0.007 0.000 1.404 394 I CB 1.021 39.011 38.000 -0.017 0.000 1.403 394 I HN 0.746 nan 8.210 nan 0.000 0.539 395 G N 6.750 115.513 108.800 -0.061 0.000 2.441 395 G HA2 0.763 4.722 3.960 -0.002 0.000 0.334 395 G HA3 0.763 4.722 3.960 -0.002 0.000 0.334 395 G C -0.715 174.028 174.900 -0.262 0.000 1.161 395 G CA -0.630 44.345 45.100 -0.209 0.000 0.935 395 G HN 0.707 nan 8.290 nan 0.000 0.488 396 I N -1.522 118.849 120.570 -0.332 0.000 2.730 396 I HA 0.556 4.725 4.170 -0.002 0.000 0.298 396 I C -1.138 174.710 176.117 -0.448 0.000 1.089 396 I CA -1.226 59.836 61.300 -0.395 0.000 1.041 396 I CB 2.585 40.457 38.000 -0.214 0.000 1.235 396 I HN 0.354 nan 8.210 nan 0.000 0.423 397 H N 2.740 121.749 119.070 -0.102 0.000 2.467 397 H HA 0.407 4.962 4.556 -0.002 0.000 0.326 397 H C -0.828 174.383 175.328 -0.196 0.000 1.094 397 H CA -0.551 55.430 56.048 -0.112 0.000 1.253 397 H CB 1.905 31.607 29.762 -0.100 0.000 1.439 397 H HN 0.657 nan 8.280 nan 0.000 0.479 398 E N 1.384 121.592 120.200 0.014 0.000 2.366 398 E HA 0.102 4.451 4.350 -0.002 0.000 0.266 398 E C 0.045 176.712 176.600 0.112 0.000 1.051 398 E CA 0.339 56.736 56.400 -0.005 0.000 0.884 398 E CB 0.558 30.276 29.700 0.029 0.000 1.006 398 E HN 0.715 nan 8.360 nan 0.000 0.417 399 H N 1.382 120.432 119.070 -0.033 0.000 2.312 399 H HA 0.461 5.016 4.556 -0.002 0.000 0.215 399 H C -0.776 174.522 175.328 -0.050 0.000 0.870 399 H CA 0.066 56.104 56.048 -0.015 0.000 0.982 399 H CB 1.099 30.833 29.762 -0.047 0.000 1.330 399 H HN 0.466 nan 8.280 nan 0.000 0.399 400 A N 1.067 123.865 122.820 -0.036 0.000 2.381 400 A HA 0.591 4.910 4.320 -0.002 0.000 0.299 400 A C -1.000 176.551 177.584 -0.055 0.000 1.049 400 A CA -0.480 51.519 52.037 -0.063 0.000 0.715 400 A CB 1.533 20.417 19.000 -0.194 0.000 1.222 400 A HN 0.152 nan 8.150 nan 0.000 0.428 401 S N 1.188 116.881 115.700 -0.011 0.000 2.478 401 S HA 0.721 5.190 4.470 -0.002 0.000 0.312 401 S C -0.881 173.721 174.600 0.003 0.000 1.094 401 S CA -0.281 57.913 58.200 -0.010 0.000 1.081 401 S CB 0.667 63.869 63.200 0.004 0.000 1.007 401 S HN 0.526 nan 8.310 nan 0.000 0.475 402 I N 1.993 122.563 120.570 0.001 0.000 2.529 402 I HA 0.216 4.385 4.170 -0.002 0.000 0.284 402 I C -0.809 175.322 176.117 0.022 0.000 1.088 402 I CA -0.594 60.717 61.300 0.017 0.000 1.062 402 I CB 1.541 39.556 38.000 0.025 0.000 1.218 402 I HN 0.420 nan 8.210 nan 0.000 0.442 403 D N 6.597 127.012 120.400 0.026 0.000 2.368 403 D HA 0.191 4.830 4.640 -0.002 0.000 0.268 403 D C -0.461 175.868 176.300 0.048 0.000 1.298 403 D CA 0.313 54.331 54.000 0.030 0.000 0.938 403 D CB 1.354 42.171 40.800 0.028 0.000 1.101 403 D HN 0.254 nan 8.370 nan 0.000 0.509 404 L N 5.165 126.423 121.223 0.059 0.000 2.563 404 L HA 0.362 4.701 4.340 -0.002 0.000 0.259 404 L C -2.894 174.045 176.870 0.115 0.000 1.034 404 L CA -1.868 53.035 54.840 0.104 0.000 0.899 404 L CB 1.938 44.076 42.059 0.131 0.000 1.159 404 L HN -0.040 nan 8.230 nan 0.000 0.456 405 P HA 0.403 nan 4.420 nan 0.000 0.272 405 P C 0.406 177.804 177.300 0.164 0.000 1.223 405 P CA 0.786 63.953 63.100 0.110 0.000 0.784 405 P CB 0.741 32.496 31.700 0.092 0.000 0.923 406 G N 1.200 110.054 108.800 0.091 0.000 2.272 406 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.280 406 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.280 406 G C -0.109 174.711 174.900 -0.133 0.000 1.067 406 G CA -0.389 44.753 45.100 0.070 0.000 0.902 406 G HN 0.337 nan 8.290 nan 0.000 0.500 407 I N -0.589 119.832 120.570 -0.249 0.000 2.662 407 I HA 0.446 4.615 4.170 -0.002 0.000 0.291 407 I C 1.191 177.079 176.117 -0.382 0.000 1.046 407 I CA -0.207 60.770 61.300 -0.538 0.000 1.361 407 I CB 1.114 38.900 38.000 -0.357 0.000 1.429 407 I HN -0.040 nan 8.210 nan 0.000 0.558 408 K N 2.437 122.486 120.400 -0.584 0.000 2.517 408 K HA 0.489 4.808 4.320 -0.002 0.000 0.210 408 K C 0.054 175.918 176.600 -1.228 0.000 1.166 408 K CA -0.007 55.855 56.287 -0.708 0.000 1.030 408 K CB 1.322 33.609 32.500 -0.355 0.000 0.974 408 K HN 0.897 nan 8.250 nan 0.000 0.585 409 G N 1.155 109.372 108.800 -0.971 0.000 2.325 409 G HA2 0.446 4.405 3.960 -0.002 0.000 0.297 409 G HA3 0.446 4.405 3.960 -0.002 0.000 0.297 409 G C -2.027 172.442 174.900 -0.718 0.000 1.448 409 G CA -0.912 43.605 45.100 -0.972 0.000 0.838 409 G HN 0.067 nan 8.290 nan 0.000 0.579 410 L N -3.633 116.900 121.223 -1.149 0.000 2.643 410 L HA 0.842 5.181 4.340 -0.002 0.000 0.256 410 L C -1.773 174.695 176.870 -0.670 0.000 0.931 410 L CA -1.085 53.434 54.840 -0.536 0.000 0.895 410 L CB 1.899 43.787 42.059 -0.285 0.000 1.430 410 L HN 0.684 nan 8.230 nan 0.000 0.419 411 W N 1.885 123.188 121.300 0.004 0.000 3.129 411 W HA 0.463 5.122 4.660 -0.002 0.000 0.333 411 W C -2.646 173.901 176.519 0.046 0.000 1.141 411 W CA -1.433 55.932 57.345 0.032 0.000 1.224 411 W CB 2.497 31.958 29.460 0.001 0.000 1.393 411 W HN 0.275 nan 8.180 nan 0.000 0.499 412 P HA 0.492 nan 4.420 nan 0.000 0.276 412 P C -0.998 176.555 177.300 0.421 0.000 1.252 412 P CA -0.130 63.125 63.100 0.258 0.000 0.802 412 P CB 2.504 34.213 31.700 0.016 0.000 1.035 413 L N -0.372 121.141 121.223 0.483 0.000 2.672 413 L HA 0.481 4.820 4.340 -0.002 0.000 0.256 413 L C -1.380 175.530 176.870 0.068 0.000 0.946 413 L CA -0.914 54.073 54.840 0.246 0.000 0.889 413 L CB 2.050 44.186 42.059 0.130 0.000 1.441 413 L HN 0.077 nan 8.230 nan 0.000 0.418 414 R N 1.660 122.091 120.500 -0.116 0.000 2.196 414 R HA 0.364 4.703 4.340 -0.002 0.000 0.340 414 R C 0.649 176.919 176.300 -0.051 0.000 1.043 414 R CA 0.312 56.325 56.100 -0.144 0.000 0.883 414 R CB 1.510 31.671 30.300 -0.233 0.000 1.078 414 R HN 0.682 nan 8.270 nan 0.000 0.462 415 S N 1.645 117.336 115.700 -0.015 0.000 2.377 415 S HA -0.039 4.430 4.470 -0.002 0.000 0.223 415 S C 0.398 174.993 174.600 -0.007 0.000 1.030 415 S CA 0.765 58.965 58.200 0.001 0.000 0.970 415 S CB 0.162 63.373 63.200 0.017 0.000 0.830 415 S HN 0.601 nan 8.310 nan 0.000 0.473 416 D N 0.148 120.540 120.400 -0.014 0.000 2.256 416 D HA 0.326 4.965 4.640 -0.002 0.000 0.240 416 D C -2.165 174.120 176.300 -0.024 0.000 1.062 416 D CA -2.161 51.831 54.000 -0.012 0.000 0.832 416 D CB 1.975 42.772 40.800 -0.006 0.000 1.135 416 D HN 0.007 nan 8.370 nan 0.000 0.484 417 P HA -0.087 nan 4.420 nan 0.000 0.221 417 P C 0.511 177.801 177.300 -0.018 0.000 1.145 417 P CA 0.949 64.038 63.100 -0.018 0.000 0.795 417 P CB 0.453 32.151 31.700 -0.004 0.000 0.775 418 N N -0.631 118.062 118.700 -0.013 0.000 2.135 418 N HA -0.086 4.653 4.740 -0.002 0.000 0.186 418 N C 0.748 176.250 175.510 -0.014 0.000 1.027 418 N CA 0.687 53.732 53.050 -0.009 0.000 0.849 418 N CB -0.569 37.916 38.487 -0.004 0.000 1.002 418 N HN 0.245 nan 8.380 nan 0.000 0.425 419 R N 1.123 121.611 120.500 -0.019 0.000 2.390 419 R HA 0.236 4.575 4.340 -0.002 0.000 0.291 419 R C 0.064 176.335 176.300 -0.049 0.000 1.070 419 R CA -0.081 56.007 56.100 -0.021 0.000 1.014 419 R CB 0.706 30.999 30.300 -0.012 0.000 1.007 419 R HN 0.191 nan 8.270 nan 0.000 0.466 420 E N 1.359 121.540 120.200 -0.032 0.000 2.122 420 E HA -0.027 4.322 4.350 -0.002 0.000 0.190 420 E C -0.122 176.442 176.600 -0.060 0.000 0.977 420 E CA 0.739 57.108 56.400 -0.052 0.000 0.820 420 E CB 0.223 29.927 29.700 0.007 0.000 0.770 420 E HN 0.636 nan 8.360 nan 0.000 0.462 421 T N 2.688 117.258 114.554 0.028 0.000 2.736 421 T HA -0.041 4.308 4.350 -0.002 0.000 0.275 421 T C -0.297 174.470 174.700 0.112 0.000 0.962 421 T CA 0.178 62.349 62.100 0.118 0.000 1.214 421 T CB -0.458 68.466 68.868 0.092 0.000 0.904 421 T HN -0.018 nan 8.240 nan 0.000 0.529 422 Y N 2.952 123.286 120.300 0.056 0.000 2.812 422 Y HA 0.040 4.589 4.550 -0.002 0.000 0.348 422 Y C 1.532 177.467 175.900 0.058 0.000 1.274 422 Y CA 0.276 58.413 58.100 0.062 0.000 1.489 422 Y CB 0.307 38.812 38.460 0.076 0.000 1.348 422 Y HN 0.746 nan 8.280 nan 0.000 0.646 423 D N -3.196 117.317 120.400 0.188 0.000 2.530 423 D HA 0.113 4.752 4.640 -0.002 0.000 0.290 423 D C -0.353 176.020 176.300 0.122 0.000 1.398 423 D CA -0.063 54.014 54.000 0.128 0.000 0.848 423 D CB -0.290 40.553 40.800 0.071 0.000 1.279 423 D HN 0.372 nan 8.370 nan 0.000 0.483 424 T N 0.503 115.148 114.554 0.151 0.000 2.896 424 T HA 0.655 5.004 4.350 -0.002 0.000 0.297 424 T C -1.723 173.072 174.700 0.158 0.000 1.108 424 T CA -0.683 61.496 62.100 0.132 0.000 1.004 424 T CB 2.339 71.268 68.868 0.102 0.000 1.159 424 T HN 0.062 nan 8.240 nan 0.000 0.499 425 L N 2.436 123.742 121.223 0.139 0.000 2.611 425 L HA 0.594 4.933 4.340 -0.002 0.000 0.263 425 L C -1.472 175.488 176.870 0.150 0.000 0.969 425 L CA -0.481 54.444 54.840 0.142 0.000 0.894 425 L CB 1.257 43.382 42.059 0.109 0.000 1.229 425 L HN 0.487 nan 8.230 nan 0.000 0.416 426 V N 5.667 125.698 119.914 0.195 0.000 2.432 426 V HA 0.548 4.667 4.120 -0.002 0.000 0.275 426 V C -0.422 175.846 176.094 0.290 0.000 1.043 426 V CA -0.497 61.936 62.300 0.221 0.000 0.925 426 V CB 1.323 33.261 31.823 0.192 0.000 0.985 426 V HN 0.590 nan 8.190 nan 0.000 0.466 427 L N 3.521 124.890 121.223 0.243 0.000 2.381 427 L HA 0.797 5.136 4.340 -0.002 0.000 0.274 427 L C 0.225 177.215 176.870 0.201 0.000 0.988 427 L CA -0.787 54.143 54.840 0.151 0.000 0.824 427 L CB 1.206 43.271 42.059 0.010 0.000 1.263 427 L HN 0.596 nan 8.230 nan 0.000 0.410 428 S N 0.766 116.546 115.700 0.134 0.000 2.645 428 S HA 0.807 5.276 4.470 -0.002 0.000 0.266 428 S C -0.465 174.058 174.600 -0.128 0.000 1.258 428 S CA -0.277 58.025 58.200 0.169 0.000 0.990 428 S CB 0.635 63.947 63.200 0.186 0.000 0.967 428 S HN 0.428 nan 8.310 nan 0.000 0.556 429 F N -0.343 119.630 119.950 0.039 0.000 2.824 429 F HA 0.242 4.768 4.527 -0.002 0.000 0.368 429 F C -0.060 175.764 175.800 0.040 0.000 1.398 429 F CA -1.116 56.898 58.000 0.024 0.000 1.142 429 F CB 0.453 39.473 39.000 0.032 0.000 1.997 429 F HN 0.387 nan 8.300 nan 0.000 0.598 430 V N 1.485 121.486 119.914 0.144 0.000 2.196 430 V HA -0.140 3.979 4.120 -0.002 0.000 0.223 430 V C 1.325 177.520 176.094 0.168 0.000 1.684 430 V CA 1.509 63.897 62.300 0.147 0.000 1.620 430 V CB -1.543 30.329 31.823 0.082 0.000 1.476 430 V HN 0.799 nan 8.190 nan 0.000 0.476 431 G N 0.317 109.247 108.800 0.218 0.000 2.600 431 G HA2 0.102 4.061 3.960 -0.002 0.000 0.225 431 G HA3 0.102 4.061 3.960 -0.002 0.000 0.225 431 G C 0.705 175.706 174.900 0.167 0.000 1.623 431 G CA -0.073 45.122 45.100 0.158 0.000 0.903 431 G HN 0.447 nan 8.290 nan 0.000 0.574 432 Q N -0.288 119.612 119.800 0.166 0.000 2.763 432 Q HA 0.346 4.685 4.340 -0.002 0.000 0.248 432 Q C -0.331 175.804 176.000 0.225 0.000 1.149 432 Q CA 0.788 56.678 55.803 0.146 0.000 0.781 432 Q CB -0.246 28.524 28.738 0.053 0.000 4.267 432 Q HN 0.310 nan 8.270 nan 0.000 0.430 433 T N 0.340 115.016 114.554 0.203 0.000 4.843 433 T HA 0.163 4.512 4.350 -0.002 0.000 0.225 433 T C -0.490 174.339 174.700 0.214 0.000 0.923 433 T CA -0.355 61.908 62.100 0.272 0.000 1.212 433 T CB 0.284 69.273 68.868 0.202 0.000 0.775 433 T HN 0.294 nan 8.240 nan 0.000 0.499 434 R N 0.617 121.222 120.500 0.175 0.000 2.950 434 R HA 0.357 4.696 4.340 -0.002 0.000 0.277 434 R C -0.036 176.358 176.300 0.156 0.000 0.984 434 R CA 0.007 56.169 56.100 0.104 0.000 1.163 434 R CB 0.245 30.552 30.300 0.012 0.000 1.094 434 R HN 0.193 nan 8.270 nan 0.000 0.482 435 V N 0.714 120.694 119.914 0.109 0.000 2.971 435 V HA 0.381 4.500 4.120 -0.002 0.000 0.309 435 V C -1.207 174.944 176.094 0.095 0.000 1.130 435 V CA -0.901 61.465 62.300 0.109 0.000 0.964 435 V CB 2.050 33.922 31.823 0.081 0.000 1.029 435 V HN 0.388 nan 8.190 nan 0.000 0.427 436 L N 3.654 124.938 121.223 0.102 0.000 2.376 436 L HA 0.624 4.963 4.340 -0.002 0.000 0.275 436 L C -0.329 176.593 176.870 0.086 0.000 0.987 436 L CA -0.205 54.690 54.840 0.091 0.000 0.828 436 L CB 1.603 43.722 42.059 0.100 0.000 1.249 436 L HN 0.821 nan 8.230 nan 0.000 0.409 437 M N 5.350 124.993 119.600 0.072 0.000 2.217 437 M HA 0.363 4.842 4.480 -0.002 0.000 0.354 437 M C -1.423 174.923 176.300 0.077 0.000 1.225 437 M CA 0.012 55.352 55.300 0.067 0.000 1.137 437 M CB 0.462 33.091 32.600 0.049 0.000 1.576 437 M HN 0.551 nan 8.290 nan 0.000 0.461 438 L N 5.638 126.910 121.223 0.083 0.000 2.313 438 L HA 0.389 4.728 4.340 -0.002 0.000 0.273 438 L C -1.177 175.725 176.870 0.055 0.000 1.028 438 L CA -0.475 54.420 54.840 0.092 0.000 0.871 438 L CB 0.758 42.896 42.059 0.131 0.000 1.242 438 L HN 0.743 nan 8.230 nan 0.000 0.434 439 N N 1.639 120.359 118.700 0.033 0.000 2.372 439 N HA 0.598 5.337 4.740 -0.002 0.000 0.285 439 N C 0.772 176.263 175.510 -0.032 0.000 1.008 439 N CA 0.527 53.578 53.050 0.003 0.000 0.880 439 N CB 2.096 40.588 38.487 0.007 0.000 1.239 439 N HN 0.623 nan 8.380 nan 0.000 0.484 440 G N 2.454 111.211 108.800 -0.070 0.000 2.952 440 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.346 440 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.346 440 G C 0.247 175.004 174.900 -0.239 0.000 1.191 440 G CA 0.974 45.996 45.100 -0.131 0.000 0.961 440 G HN 0.662 nan 8.290 nan 0.000 0.588 441 E N 0.602 120.714 120.200 -0.148 0.000 2.862 441 E HA 0.212 4.561 4.350 -0.002 0.000 0.204 441 E C -0.290 176.357 176.600 0.078 0.000 0.966 441 E CA -0.335 56.000 56.400 -0.107 0.000 1.257 441 E CB 0.885 30.529 29.700 -0.094 0.000 1.053 441 E HN 0.536 nan 8.360 nan 0.000 0.487 442 E N 1.179 121.407 120.200 0.047 0.000 2.349 442 E HA 0.111 4.460 4.350 -0.002 0.000 0.262 442 E C 0.908 177.563 176.600 0.091 0.000 1.088 442 E CA -0.105 56.333 56.400 0.063 0.000 0.899 442 E CB 2.084 31.805 29.700 0.035 0.000 1.044 442 E HN 0.027 nan 8.360 nan 0.000 0.420 443 V N -1.867 118.094 119.914 0.079 0.000 3.214 443 V HA 0.165 4.284 4.120 -0.002 0.000 0.330 443 V C 0.463 176.594 176.094 0.061 0.000 1.403 443 V CA -0.465 61.883 62.300 0.080 0.000 1.143 443 V CB 0.002 31.870 31.823 0.075 0.000 1.098 443 V HN 0.372 nan 8.190 nan 0.000 0.463 444 E N 3.832 124.062 120.200 0.051 0.000 2.481 444 E HA -0.042 4.307 4.350 -0.002 0.000 0.240 444 E C 0.349 176.975 176.600 0.042 0.000 1.193 444 E CA 0.542 56.965 56.400 0.039 0.000 0.955 444 E CB 0.273 29.991 29.700 0.031 0.000 1.006 444 E HN 0.914 nan 8.360 nan 0.000 0.483 445 E N 1.742 121.966 120.200 0.040 0.000 2.265 445 E HA 0.087 4.436 4.350 -0.002 0.000 0.272 445 E C 0.579 177.198 176.600 0.031 0.000 1.067 445 E CA -0.266 56.159 56.400 0.042 0.000 0.900 445 E CB 0.541 30.264 29.700 0.039 0.000 1.017 445 E HN 0.334 nan 8.360 nan 0.000 0.431 446 T N 0.998 115.573 114.554 0.034 0.000 3.123 446 T HA 0.408 4.757 4.350 -0.002 0.000 0.266 446 T C 0.049 174.762 174.700 0.021 0.000 1.170 446 T CA -0.442 61.673 62.100 0.025 0.000 0.978 446 T CB 0.318 69.201 68.868 0.025 0.000 2.402 446 T HN 0.738 nan 8.240 nan 0.000 0.525 447 E N -0.644 119.567 120.200 0.019 0.000 2.423 447 E HA 0.599 4.948 4.350 -0.002 0.000 0.280 447 E C -2.147 174.462 176.600 0.015 0.000 1.030 447 E CA -1.105 55.303 56.400 0.013 0.000 0.812 447 E CB 1.158 30.858 29.700 -0.001 0.000 1.313 447 E HN 0.333 nan 8.360 nan 0.000 0.456 448 L N 1.844 123.075 121.223 0.014 0.000 2.386 448 L HA 0.327 4.666 4.340 -0.002 0.000 0.271 448 L C 0.882 177.756 176.870 0.007 0.000 0.993 448 L CA -0.685 54.166 54.840 0.017 0.000 0.819 448 L CB 1.784 43.861 42.059 0.030 0.000 1.294 448 L HN 0.812 nan 8.230 nan 0.000 0.414 449 M N 1.601 121.204 119.600 0.005 0.000 2.084 449 M HA -0.028 4.451 4.480 -0.002 0.000 0.259 449 M C 1.422 177.729 176.300 0.011 0.000 1.072 449 M CA 1.456 56.752 55.300 -0.006 0.000 1.107 449 M CB -0.889 31.712 32.600 0.001 0.000 1.299 449 M HN 0.830 nan 8.290 nan 0.000 0.413 450 G N 1.131 109.958 108.800 0.046 0.000 2.186 450 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.281 450 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.281 450 G C 0.116 175.124 174.900 0.178 0.000 0.554 450 G CA 0.031 45.184 45.100 0.088 0.000 1.846 450 G HN 0.633 nan 8.290 nan 0.000 0.523 451 F N -0.164 119.783 119.950 -0.006 0.000 2.106 451 F HA -0.191 4.335 4.527 -0.002 0.000 0.133 451 F C 0.769 176.562 175.800 -0.012 0.000 1.007 451 F CA 0.405 58.401 58.000 -0.007 0.000 0.706 451 F CB -0.134 38.862 39.000 -0.005 0.000 0.684 451 F HN 0.348 nan 8.300 nan 0.000 0.778 452 V N 4.611 124.624 119.914 0.165 0.000 2.973 452 V HA 0.704 4.823 4.120 -0.002 0.000 0.314 452 V C -0.228 175.878 176.094 0.021 0.000 1.066 452 V CA 0.496 62.903 62.300 0.179 0.000 1.021 452 V CB 2.046 33.891 31.823 0.036 0.000 1.076 452 V HN 0.832 nan 8.190 nan 0.000 0.462 453 D N 1.033 121.528 120.400 0.159 0.000 2.895 453 D HA 0.483 5.122 4.640 -0.002 0.000 0.320 453 D C -1.607 174.748 176.300 0.091 0.000 1.249 453 D CA -0.460 53.598 54.000 0.096 0.000 0.997 453 D CB 1.511 42.495 40.800 0.306 0.000 1.430 453 D HN 0.377 nan 8.370 nan 0.000 0.558 454 D N -0.303 120.150 120.400 0.088 0.000 3.453 454 D HA 0.156 4.795 4.640 -0.002 0.000 0.312 454 D C -0.627 175.727 176.300 0.091 0.000 1.349 454 D CA -0.127 53.921 54.000 0.079 0.000 0.739 454 D CB 0.936 41.755 40.800 0.032 0.000 1.312 454 D HN 0.357 nan 8.370 nan 0.000 0.628 455 Q N -0.072 119.804 119.800 0.126 0.000 3.304 455 Q HA 0.433 4.772 4.340 -0.002 0.000 0.269 455 Q C 0.122 176.221 176.000 0.166 0.000 1.025 455 Q CA -0.774 55.108 55.803 0.132 0.000 0.836 455 Q CB 1.357 30.170 28.738 0.126 0.000 1.831 455 Q HN 0.040 nan 8.270 nan 0.000 0.455 456 Q N 0.065 119.983 119.800 0.196 0.000 2.407 456 Q HA 0.394 4.733 4.340 -0.002 0.000 0.214 456 Q C -0.893 175.275 176.000 0.279 0.000 1.043 456 Q CA 0.099 56.060 55.803 0.263 0.000 0.983 456 Q CB 0.627 29.597 28.738 0.387 0.000 1.211 456 Q HN 0.281 nan 8.270 nan 0.000 0.564 457 T N 0.759 115.501 114.554 0.314 0.000 3.143 457 T HA 0.306 4.655 4.350 -0.002 0.000 0.312 457 T C -0.784 174.097 174.700 0.302 0.000 0.986 457 T CA -0.458 61.791 62.100 0.248 0.000 1.024 457 T CB 0.333 69.247 68.868 0.077 0.000 1.030 457 T HN 0.395 nan 8.240 nan 0.000 0.448 458 F N 1.855 121.787 119.950 -0.030 0.000 2.698 458 F HA 0.563 5.089 4.527 -0.002 0.000 0.295 458 F C 0.286 176.111 175.800 0.040 0.000 1.124 458 F CA -0.684 57.380 58.000 0.107 0.000 1.426 458 F CB 0.178 39.253 39.000 0.125 0.000 1.120 458 F HN 0.558 nan 8.300 nan 0.000 0.583 459 F N -0.249 119.396 119.950 -0.510 0.000 2.804 459 F HA 0.422 4.948 4.527 -0.002 0.000 0.320 459 F C -1.518 173.765 175.800 -0.862 0.000 1.135 459 F CA -1.746 55.646 58.000 -1.013 0.000 0.947 459 F CB 0.425 39.260 39.000 -0.274 0.000 1.260 459 F HN -0.034 nan 8.300 nan 0.000 0.447 460 C N 2.356 120.268 119.300 -2.314 0.000 3.303 460 C HA 1.063 5.522 4.460 -0.002 0.000 0.340 460 C C -0.425 173.807 174.990 -1.264 0.000 1.274 460 C CA -0.090 58.073 59.018 -1.425 0.000 1.234 460 C CB 1.178 28.481 27.740 -0.727 0.000 1.532 460 C HN 2.487 nan 8.230 nan 0.000 0.483 461 G N 1.713 110.130 108.800 -0.639 0.000 2.356 461 G HA2 0.374 4.333 3.960 -0.002 0.000 0.300 461 G HA3 0.374 4.333 3.960 -0.002 0.000 0.300 461 G C -1.969 172.877 174.900 -0.091 0.000 1.331 461 G CA -1.013 43.942 45.100 -0.241 0.000 0.905 461 G HN 1.098 nan 8.290 nan 0.000 0.587 462 N N 0.145 118.851 118.700 0.011 0.000 2.438 462 N HA 0.419 5.158 4.740 -0.002 0.000 0.267 462 N C 0.636 176.178 175.510 0.054 0.000 1.222 462 N CA 0.312 53.370 53.050 0.014 0.000 0.930 462 N CB 1.557 40.036 38.487 -0.014 0.000 1.083 462 N HN 0.962 nan 8.380 nan 0.000 0.476 463 V N -0.500 119.438 119.914 0.039 0.000 3.177 463 V HA 0.827 4.946 4.120 -0.002 0.000 0.319 463 V C 0.375 176.481 176.094 0.020 0.000 1.125 463 V CA -1.607 60.723 62.300 0.050 0.000 1.029 463 V CB 1.175 33.034 31.823 0.059 0.000 1.119 463 V HN 0.619 nan 8.190 nan 0.000 0.452 464 A N 1.599 124.408 122.820 -0.019 0.000 2.524 464 A HA 0.409 4.728 4.320 -0.002 0.000 0.271 464 A C 0.233 177.695 177.584 -0.204 0.000 1.097 464 A CA 0.874 52.824 52.037 -0.146 0.000 0.791 464 A CB -2.039 16.837 19.000 -0.207 0.000 1.028 464 A HN 1.866 nan 8.150 nan 0.000 0.518 465 H N 0.030 119.115 119.070 0.025 0.000 3.810 465 H HA -0.072 4.483 4.556 -0.002 0.000 0.389 465 H C 0.273 175.613 175.328 0.021 0.000 1.139 465 H CA 0.462 56.527 56.048 0.029 0.000 1.286 465 H CB -1.518 28.269 29.762 0.042 0.000 1.398 465 H HN 0.903 nan 8.280 nan 0.000 0.406 466 Q N -0.172 119.690 119.800 0.103 0.000 2.301 466 Q HA -0.263 4.076 4.340 -0.002 0.000 0.332 466 Q C -0.047 175.988 176.000 0.058 0.000 1.214 466 Q CA 1.847 57.688 55.803 0.064 0.000 1.008 466 Q CB -0.476 28.297 28.738 0.059 0.000 1.272 466 Q HN 0.753 nan 8.270 nan 0.000 0.466 467 Q N -1.442 118.393 119.800 0.058 0.000 2.852 467 Q HA 0.814 5.153 4.340 -0.002 0.000 0.262 467 Q C -0.976 175.037 176.000 0.021 0.000 1.051 467 Q CA -1.174 54.657 55.803 0.046 0.000 0.894 467 Q CB 1.123 29.901 28.738 0.067 0.000 1.381 467 Q HN 0.146 nan 8.270 nan 0.000 0.501 468 L N 0.459 121.689 121.223 0.013 0.000 2.424 468 L HA 0.629 4.968 4.340 -0.002 0.000 0.258 468 L C -1.423 175.429 176.870 -0.030 0.000 0.995 468 L CA -0.306 54.525 54.840 -0.015 0.000 0.821 468 L CB 2.349 44.399 42.059 -0.014 0.000 1.383 468 L HN 0.608 nan 8.230 nan 0.000 0.410 469 I N 0.783 121.301 120.570 -0.087 0.000 2.969 469 I HA 0.554 4.723 4.170 -0.002 0.000 0.307 469 I C -1.587 174.402 176.117 -0.214 0.000 1.149 469 I CA -0.310 60.925 61.300 -0.108 0.000 1.008 469 I CB 2.126 40.096 38.000 -0.050 0.000 1.232 469 I HN 0.627 nan 8.210 nan 0.000 0.435 470 Q N 6.271 125.954 119.800 -0.194 0.000 2.281 470 Q HA 0.485 4.824 4.340 -0.002 0.000 0.263 470 Q C -2.172 173.710 176.000 -0.195 0.000 0.989 470 Q CA -0.543 55.119 55.803 -0.234 0.000 0.852 470 Q CB 2.322 30.978 28.738 -0.138 0.000 1.337 470 Q HN 0.602 nan 8.270 nan 0.000 0.418 471 I N 3.258 123.730 120.570 -0.164 0.000 2.418 471 I HA 0.379 4.548 4.170 -0.002 0.000 0.287 471 I C 0.386 176.465 176.117 -0.062 0.000 1.008 471 I CA -0.554 60.688 61.300 -0.097 0.000 1.104 471 I CB 2.005 39.997 38.000 -0.013 0.000 1.264 471 I HN 0.669 nan 8.210 nan 0.000 0.438 472 T N 0.390 114.885 114.554 -0.098 0.000 2.804 472 T HA 0.261 4.610 4.350 -0.002 0.000 0.272 472 T C 1.196 175.739 174.700 -0.261 0.000 0.986 472 T CA 0.043 62.117 62.100 -0.043 0.000 0.999 472 T CB 1.496 70.386 68.868 0.037 0.000 1.307 472 T HN 0.557 nan 8.240 nan 0.000 0.586 473 S N 0.064 115.670 115.700 -0.156 0.000 2.402 473 S HA 0.016 4.485 4.470 -0.002 0.000 0.229 473 S C 2.328 176.859 174.600 -0.115 0.000 1.021 473 S CA 0.752 58.821 58.200 -0.218 0.000 0.974 473 S CB -1.203 62.021 63.200 0.041 0.000 0.800 473 S HN 1.025 nan 8.310 nan 0.000 0.484 474 A N 1.691 124.483 122.820 -0.047 0.000 1.855 474 A HA 0.365 4.684 4.320 -0.002 0.000 0.215 474 A C 1.387 178.946 177.584 -0.041 0.000 1.191 474 A CA 1.246 53.269 52.037 -0.025 0.000 0.613 474 A CB -0.544 18.467 19.000 0.018 0.000 0.829 474 A HN 1.453 nan 8.150 nan 0.000 0.442 475 S N -4.059 111.609 115.700 -0.053 0.000 2.648 475 S HA 0.279 4.748 4.470 -0.002 0.000 0.266 475 S C -0.996 173.581 174.600 -0.040 0.000 1.046 475 S CA -0.089 58.124 58.200 0.022 0.000 0.913 475 S CB 0.299 63.525 63.200 0.043 0.000 1.179 475 S HN 1.475 nan 8.310 nan 0.000 0.476 476 V N 1.888 121.844 119.914 0.069 0.000 2.481 476 V HA 0.895 5.014 4.120 -0.002 0.000 0.286 476 V C -1.128 174.919 176.094 -0.077 0.000 1.042 476 V CA -0.438 61.840 62.300 -0.037 0.000 0.928 476 V CB 1.098 32.901 31.823 -0.033 0.000 0.986 476 V HN 1.044 nan 8.190 nan 0.000 0.462 477 R N 6.147 126.522 120.500 -0.208 0.000 2.515 477 R HA 0.449 4.788 4.340 -0.002 0.000 0.291 477 R C -1.065 175.157 176.300 -0.131 0.000 1.046 477 R CA -0.731 55.235 56.100 -0.224 0.000 0.914 477 R CB 1.355 31.319 30.300 -0.561 0.000 1.191 477 R HN 0.787 nan 8.270 nan 0.000 0.435 478 L N 1.953 123.152 121.223 -0.040 0.000 2.466 478 L HA 0.477 4.816 4.340 -0.002 0.000 0.257 478 L C -0.634 176.247 176.870 0.018 0.000 1.189 478 L CA -0.602 54.235 54.840 -0.004 0.000 0.813 478 L CB 1.170 43.244 42.059 0.025 0.000 1.118 478 L HN 0.379 nan 8.230 nan 0.000 0.471 479 V N 1.846 121.777 119.914 0.028 0.000 2.971 479 V HA 0.250 4.369 4.120 -0.002 0.000 0.309 479 V C -0.345 175.772 176.094 0.039 0.000 1.130 479 V CA -0.677 61.651 62.300 0.046 0.000 0.964 479 V CB 2.039 33.893 31.823 0.052 0.000 1.029 479 V HN 0.805 nan 8.190 nan 0.000 0.427 480 S N 2.086 117.811 115.700 0.041 0.000 2.565 480 S HA 0.220 4.689 4.470 -0.002 0.000 0.276 480 S C 0.487 175.103 174.600 0.027 0.000 1.326 480 S CA -0.035 58.185 58.200 0.033 0.000 1.045 480 S CB 1.273 64.490 63.200 0.029 0.000 0.918 480 S HN 0.747 nan 8.310 nan 0.000 0.505 481 Q N 2.274 122.088 119.800 0.024 0.000 2.240 481 Q HA 0.070 4.409 4.340 -0.002 0.000 0.194 481 Q C 1.874 177.883 176.000 0.014 0.000 0.982 481 Q CA 0.769 56.582 55.803 0.017 0.000 0.842 481 Q CB -0.483 28.264 28.738 0.016 0.000 0.941 481 Q HN 0.780 nan 8.270 nan 0.000 0.516 482 E N 0.476 120.685 120.200 0.014 0.000 2.021 482 E HA -0.162 4.187 4.350 -0.002 0.000 0.200 482 E C -0.313 176.293 176.600 0.010 0.000 1.015 482 E CA 1.646 58.052 56.400 0.011 0.000 0.824 482 E CB -1.342 28.365 29.700 0.012 0.000 0.762 482 E HN 0.318 nan 8.360 nan 0.000 0.454 483 P HA -0.026 nan 4.420 nan 0.000 0.217 483 P C -0.430 176.877 177.300 0.012 0.000 1.154 483 P CA 0.702 63.808 63.100 0.010 0.000 0.841 483 P CB 0.264 31.970 31.700 0.010 0.000 0.788 484 K N -1.363 119.046 120.400 0.016 0.000 5.023 484 K HA 0.110 4.429 4.320 -0.002 0.000 0.618 484 K C -1.265 175.349 176.600 0.024 0.000 1.240 484 K CA 0.746 57.045 56.287 0.020 0.000 1.409 484 K CB -1.721 30.788 32.500 0.015 0.000 1.928 484 K HN 0.272 nan 8.250 nan 0.000 0.372 485 A N 2.250 125.090 122.820 0.034 0.000 2.612 485 A HA 0.657 4.976 4.320 -0.002 0.000 0.293 485 A C -1.058 176.565 177.584 0.065 0.000 1.075 485 A CA -0.646 51.416 52.037 0.041 0.000 0.680 485 A CB 1.011 20.028 19.000 0.028 0.000 1.279 485 A HN 0.852 nan 8.150 nan 0.000 0.411 486 L N 3.011 124.289 121.223 0.091 0.000 2.530 486 L HA 0.173 4.512 4.340 -0.002 0.000 0.247 486 L C 1.579 178.502 176.870 0.088 0.000 1.416 486 L CA 0.924 55.846 54.840 0.137 0.000 1.202 486 L CB -0.772 41.413 42.059 0.210 0.000 1.415 486 L HN 1.107 nan 8.230 nan 0.000 0.443 487 V N 0.105 120.057 119.914 0.063 0.000 2.453 487 V HA -0.060 4.059 4.120 -0.002 0.000 0.252 487 V C 1.089 177.208 176.094 0.042 0.000 1.068 487 V CA 1.391 63.718 62.300 0.044 0.000 1.070 487 V CB -0.819 31.026 31.823 0.036 0.000 0.664 487 V HN 0.804 nan 8.190 nan 0.000 0.461 488 S N -1.365 114.362 115.700 0.046 0.000 2.615 488 S HA 0.577 5.046 4.470 -0.002 0.000 0.269 488 S C -1.352 173.265 174.600 0.029 0.000 1.161 488 S CA -0.451 57.773 58.200 0.040 0.000 0.817 488 S CB 2.090 65.319 63.200 0.047 0.000 1.131 488 S HN 0.670 nan 8.310 nan 0.000 0.467 489 E N 1.260 121.477 120.200 0.029 0.000 2.404 489 E HA 0.228 4.577 4.350 -0.002 0.000 0.298 489 E C -1.963 174.656 176.600 0.032 0.000 0.908 489 E CA -0.351 56.051 56.400 0.002 0.000 0.808 489 E CB 0.761 30.451 29.700 -0.016 0.000 1.380 489 E HN 0.625 nan 8.360 nan 0.000 0.392 490 W N 4.784 126.019 121.300 -0.108 0.000 2.303 490 W HA 0.462 5.121 4.660 -0.002 0.000 0.334 490 W C -0.634 175.803 176.519 -0.136 0.000 1.197 490 W CA 0.108 57.388 57.345 -0.109 0.000 1.262 490 W CB 0.824 30.224 29.460 -0.099 0.000 1.153 490 W HN 0.322 nan 8.180 nan 0.000 0.596 491 K N 2.580 122.257 120.400 -1.204 0.000 2.556 491 K HA 0.084 4.403 4.320 -0.002 0.000 0.274 491 K C -1.159 174.348 176.600 -1.822 0.000 0.966 491 K CA -1.113 54.515 56.287 -1.099 0.000 0.865 491 K CB 1.934 34.109 32.500 -0.541 0.000 1.444 491 K HN 0.323 nan 8.250 nan 0.000 0.433 492 E N 2.518 122.083 120.200 -1.058 0.000 2.316 492 E HA 0.110 4.459 4.350 -0.002 0.000 0.275 492 E C -2.027 174.267 176.600 -0.509 0.000 1.029 492 E CA -1.718 54.232 56.400 -0.750 0.000 0.871 492 E CB 1.043 30.579 29.700 -0.273 0.000 1.022 492 E HN 0.217 nan 8.360 nan 0.000 0.418 493 P HA -0.259 nan 4.420 nan 0.000 0.216 493 P C 0.423 177.608 177.300 -0.192 0.000 0.860 493 P CA 1.664 64.608 63.100 -0.261 0.000 1.042 493 P CB 0.029 31.635 31.700 -0.156 0.000 0.716 494 Q N -0.318 119.406 119.800 -0.127 0.000 2.294 494 Q HA 0.251 4.590 4.340 -0.002 0.000 0.222 494 Q C -0.383 175.558 176.000 -0.097 0.000 0.903 494 Q CA 0.123 55.871 55.803 -0.093 0.000 0.966 494 Q CB -1.286 27.419 28.738 -0.055 0.000 1.091 494 Q HN 0.280 nan 8.270 nan 0.000 0.438 495 A N 1.493 124.228 122.820 -0.142 0.000 2.203 495 A HA -0.235 4.084 4.320 -0.002 0.000 0.279 495 A C -0.776 176.756 177.584 -0.086 0.000 1.396 495 A CA 1.194 53.153 52.037 -0.131 0.000 0.747 495 A CB -1.055 17.884 19.000 -0.101 0.000 1.151 495 A HN 0.520 nan 8.150 nan 0.000 0.345 496 K N 0.509 120.859 120.400 -0.084 0.000 2.270 496 K HA 0.391 4.710 4.320 -0.002 0.000 0.255 496 K C -0.101 176.483 176.600 -0.027 0.000 0.936 496 K CA -0.998 55.266 56.287 -0.038 0.000 0.809 496 K CB 1.058 33.549 32.500 -0.014 0.000 1.131 496 K HN 0.571 nan 8.250 nan 0.000 0.427 497 N N 1.990 120.682 118.700 -0.014 0.000 2.395 497 N HA 0.029 4.768 4.740 -0.002 0.000 0.246 497 N C -0.239 175.261 175.510 -0.017 0.000 1.246 497 N CA 0.076 53.115 53.050 -0.018 0.000 0.879 497 N CB 0.257 38.745 38.487 0.000 0.000 1.098 497 N HN 0.386 nan 8.380 nan 0.000 0.444 498 I N -0.790 119.736 120.570 -0.072 0.000 2.371 498 I HA 0.175 4.344 4.170 -0.002 0.000 0.290 498 I C 1.010 177.033 176.117 -0.156 0.000 1.028 498 I CA -0.472 60.775 61.300 -0.088 0.000 1.345 498 I CB 1.199 39.121 38.000 -0.130 0.000 1.407 498 I HN 0.495 nan 8.210 nan 0.000 0.501 499 S N 4.278 119.985 115.700 0.012 0.000 2.388 499 S HA 0.133 4.602 4.470 -0.002 0.000 0.223 499 S C 0.712 175.523 174.600 0.352 0.000 1.034 499 S CA 0.064 58.360 58.200 0.160 0.000 0.963 499 S CB -0.001 63.274 63.200 0.124 0.000 0.827 499 S HN 0.520 nan 8.310 nan 0.000 0.481 500 V N 1.023 121.081 119.914 0.240 0.000 2.841 500 V HA 0.832 4.951 4.120 -0.002 0.000 0.310 500 V C -0.546 175.679 176.094 0.219 0.000 1.090 500 V CA -0.497 62.002 62.300 0.332 0.000 0.930 500 V CB 1.559 33.532 31.823 0.249 0.000 1.014 500 V HN 0.610 nan 8.190 nan 0.000 0.425 501 A N 2.995 126.000 122.820 0.309 0.000 2.475 501 A HA 1.008 5.327 4.320 -0.002 0.000 0.301 501 A C -0.500 177.173 177.584 0.148 0.000 1.059 501 A CA -0.290 51.850 52.037 0.172 0.000 0.710 501 A CB 2.173 21.254 19.000 0.134 0.000 1.288 501 A HN 1.335 nan 8.150 nan 0.000 0.408 502 S N -0.507 115.215 115.700 0.037 0.000 2.541 502 S HA 0.764 5.233 4.470 -0.002 0.000 0.271 502 S C -0.879 173.630 174.600 -0.151 0.000 1.133 502 S CA -0.507 57.655 58.200 -0.062 0.000 0.876 502 S CB 1.009 64.191 63.200 -0.029 0.000 1.105 502 S HN 2.276 nan 8.310 nan 0.000 0.470 503 C N 3.109 122.186 119.300 -0.373 0.000 3.090 503 C HA 0.800 5.259 4.460 -0.002 0.000 0.347 503 C C -0.790 173.974 174.990 -0.376 0.000 1.147 503 C CA -0.317 58.511 59.018 -0.318 0.000 1.305 503 C CB 0.420 28.072 27.740 -0.148 0.000 1.692 503 C HN 1.266 nan 8.230 nan 0.000 0.506 504 N N 1.784 120.409 118.700 -0.126 0.000 2.992 504 N HA 0.441 5.180 4.740 -0.002 0.000 0.338 504 N C 0.852 176.389 175.510 0.045 0.000 1.376 504 N CA 0.115 53.133 53.050 -0.053 0.000 0.778 504 N CB 0.469 38.931 38.487 -0.042 0.000 1.232 504 N HN 0.512 nan 8.380 nan 0.000 0.581 505 S N -1.689 114.037 115.700 0.044 0.000 2.402 505 S HA -0.098 4.371 4.470 -0.002 0.000 0.229 505 S C 1.438 176.042 174.600 0.006 0.000 1.021 505 S CA 1.719 59.947 58.200 0.047 0.000 0.974 505 S CB -0.724 62.492 63.200 0.027 0.000 0.800 505 S HN 0.686 nan 8.310 nan 0.000 0.484 506 S N -0.880 114.813 115.700 -0.013 0.000 2.665 506 S HA 0.325 4.794 4.470 -0.002 0.000 0.240 506 S C 0.595 175.176 174.600 -0.031 0.000 1.081 506 S CA -0.601 57.570 58.200 -0.049 0.000 0.887 506 S CB -0.144 63.016 63.200 -0.066 0.000 0.805 506 S HN 0.530 nan 8.310 nan 0.000 0.486 507 Q N 0.291 120.103 119.800 0.021 0.000 2.169 507 Q HA 0.792 5.131 4.340 -0.002 0.000 0.234 507 Q C -1.454 174.578 176.000 0.054 0.000 0.980 507 Q CA -0.909 54.949 55.803 0.093 0.000 0.941 507 Q CB 2.022 30.861 28.738 0.168 0.000 1.199 507 Q HN 0.203 nan 8.270 nan 0.000 0.496 508 V N 0.794 120.763 119.914 0.092 0.000 2.789 508 V HA 0.292 4.411 4.120 -0.002 0.000 0.300 508 V C -1.459 174.665 176.094 0.050 0.000 1.184 508 V CA -0.731 61.581 62.300 0.020 0.000 0.930 508 V CB 2.297 34.098 31.823 -0.036 0.000 1.041 508 V HN 0.508 nan 8.190 nan 0.000 0.430 509 V N 5.436 125.355 119.914 0.008 0.000 2.419 509 V HA 0.517 4.636 4.120 -0.002 0.000 0.287 509 V C -0.212 175.884 176.094 0.003 0.000 1.017 509 V CA -0.666 61.657 62.300 0.040 0.000 0.844 509 V CB 1.847 33.696 31.823 0.043 0.000 1.011 509 V HN 0.744 nan 8.190 nan 0.000 0.429 510 V N 2.033 121.927 119.914 -0.034 0.000 2.612 510 V HA 1.002 5.121 4.120 -0.002 0.000 0.301 510 V C 0.292 176.426 176.094 0.067 0.000 1.046 510 V CA -0.687 61.595 62.300 -0.030 0.000 0.946 510 V CB 1.729 33.454 31.823 -0.163 0.000 1.003 510 V HN 0.954 nan 8.190 nan 0.000 0.459 511 A N 3.625 126.491 122.820 0.077 0.000 2.287 511 A HA 0.775 5.094 4.320 -0.002 0.000 0.317 511 A C -0.533 177.123 177.584 0.120 0.000 1.220 511 A CA -0.587 51.510 52.037 0.100 0.000 0.835 511 A CB 1.216 20.270 19.000 0.089 0.000 1.180 511 A HN 1.266 nan 8.150 nan 0.000 0.500 512 V N 2.448 122.467 119.914 0.175 0.000 2.293 512 V HA 0.510 4.629 4.120 -0.002 0.000 0.275 512 V C 1.101 177.260 176.094 0.108 0.000 1.021 512 V CA 0.130 62.527 62.300 0.162 0.000 0.815 512 V CB 0.528 32.509 31.823 0.264 0.000 1.025 512 V HN 1.633 nan 8.190 nan 0.000 0.448 513 G N 5.009 113.841 108.800 0.054 0.000 2.196 513 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.261 513 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.261 513 G C 0.777 175.671 174.900 -0.011 0.000 0.832 513 G CA 1.303 46.403 45.100 -0.001 0.000 1.246 513 G HN 1.295 nan 8.290 nan 0.000 0.383 514 R N -2.231 118.258 120.500 -0.019 0.000 3.908 514 R HA -0.068 4.271 4.340 -0.002 0.000 0.381 514 R C 0.495 176.775 176.300 -0.033 0.000 1.135 514 R CA 1.676 57.755 56.100 -0.034 0.000 0.990 514 R CB -1.630 28.636 30.300 -0.057 0.000 1.557 514 R HN 2.137 nan 8.270 nan 0.000 0.535 515 A N 0.603 123.432 122.820 0.015 0.000 2.386 515 A HA 0.748 5.067 4.320 -0.002 0.000 0.311 515 A C -1.103 176.467 177.584 -0.023 0.000 1.068 515 A CA -0.660 51.383 52.037 0.010 0.000 0.743 515 A CB 1.504 20.617 19.000 0.189 0.000 1.258 515 A HN 0.060 nan 8.150 nan 0.000 0.429 516 L N 1.410 122.485 121.223 -0.247 0.000 2.346 516 L HA 0.637 4.976 4.340 -0.002 0.000 0.276 516 L C -1.389 175.313 176.870 -0.281 0.000 1.006 516 L CA -0.097 54.595 54.840 -0.246 0.000 0.817 516 L CB 1.473 43.199 42.059 -0.555 0.000 1.272 516 L HN 0.638 nan 8.230 nan 0.000 0.421 517 Y N 2.089 122.474 120.300 0.143 0.000 2.354 517 Y HA 0.318 4.867 4.550 -0.002 0.000 0.330 517 Y C -0.893 175.104 175.900 0.162 0.000 1.011 517 Y CA -0.640 57.573 58.100 0.188 0.000 1.099 517 Y CB 1.586 40.067 38.460 0.035 0.000 1.179 517 Y HN 0.458 nan 8.280 nan 0.000 0.442 518 Y N 5.421 125.851 120.300 0.218 0.000 2.383 518 Y HA 0.609 5.158 4.550 -0.002 0.000 0.344 518 Y C -1.144 174.749 175.900 -0.012 0.000 0.986 518 Y CA -0.801 57.339 58.100 0.068 0.000 1.175 518 Y CB 0.511 38.965 38.460 -0.010 0.000 1.152 518 Y HN 0.505 nan 8.280 nan 0.000 0.511 519 L N 7.234 128.505 121.223 0.079 0.000 2.319 519 L HA 0.389 4.728 4.340 -0.002 0.000 0.281 519 L C -0.650 176.132 176.870 -0.147 0.000 1.005 519 L CA -0.710 54.039 54.840 -0.151 0.000 0.828 519 L CB 1.853 43.762 42.059 -0.250 0.000 1.227 519 L HN 0.606 nan 8.230 nan 0.000 0.415 520 Q N 3.307 122.943 119.800 -0.273 0.000 2.256 520 Q HA 0.447 4.786 4.340 -0.002 0.000 0.254 520 Q C -0.485 175.367 176.000 -0.246 0.000 0.916 520 Q CA -0.769 54.881 55.803 -0.255 0.000 0.932 520 Q CB 2.566 31.102 28.738 -0.336 0.000 1.207 520 Q HN 0.431 nan 8.270 nan 0.000 0.426 521 I N 3.563 123.996 120.570 -0.229 0.000 2.529 521 I HA 0.173 4.342 4.170 -0.002 0.000 0.284 521 I C 0.264 176.222 176.117 -0.264 0.000 1.082 521 I CA 0.375 61.587 61.300 -0.146 0.000 1.406 521 I CB 0.185 38.158 38.000 -0.044 0.000 1.405 521 I HN 0.543 nan 8.210 nan 0.000 0.548 522 H N 5.069 124.214 119.070 0.126 0.000 3.008 522 H HA 0.383 4.938 4.556 -0.002 0.000 0.354 522 H C -2.477 172.851 175.328 0.001 0.000 1.252 522 H CA -1.948 54.174 56.048 0.124 0.000 1.117 522 H CB 2.123 31.905 29.762 0.033 0.000 1.857 522 H HN 0.184 nan 8.280 nan 0.000 0.547 523 P HA -0.005 nan 4.420 nan 0.000 0.262 523 P C -0.140 177.146 177.300 -0.023 0.000 1.182 523 P CA 0.667 63.692 63.100 -0.125 0.000 0.761 523 P CB 0.419 31.947 31.700 -0.287 0.000 0.795 524 Q N -0.757 119.047 119.800 0.006 0.000 2.222 524 Q HA -0.279 4.060 4.340 -0.002 0.000 0.207 524 Q C 0.016 176.035 176.000 0.031 0.000 0.743 524 Q CA 2.197 58.011 55.803 0.017 0.000 1.425 524 Q CB -1.909 26.829 28.738 0.001 0.000 1.853 524 Q HN 0.772 nan 8.270 nan 0.000 0.628 525 E N -1.066 119.165 120.200 0.051 0.000 2.390 525 E HA 0.627 4.976 4.350 -0.002 0.000 0.277 525 E C -1.182 175.472 176.600 0.090 0.000 0.939 525 E CA -1.065 55.374 56.400 0.065 0.000 0.769 525 E CB 1.328 31.060 29.700 0.055 0.000 1.251 525 E HN 0.095 nan 8.360 nan 0.000 0.450 526 L N 2.271 123.548 121.223 0.090 0.000 2.295 526 L HA 0.505 4.844 4.340 -0.002 0.000 0.281 526 L C 0.077 177.009 176.870 0.103 0.000 1.018 526 L CA -0.748 54.142 54.840 0.084 0.000 0.841 526 L CB 1.072 43.191 42.059 0.101 0.000 1.218 526 L HN 0.505 nan 8.230 nan 0.000 0.424 527 R N 3.093 123.641 120.500 0.082 0.000 2.267 527 R HA 0.165 4.504 4.340 -0.002 0.000 0.319 527 R C -0.202 176.106 176.300 0.012 0.000 1.067 527 R CA -0.343 55.803 56.100 0.076 0.000 0.936 527 R CB 0.864 31.242 30.300 0.132 0.000 1.006 527 R HN 0.566 nan 8.270 nan 0.000 0.452 528 Q N 5.734 125.580 119.800 0.077 0.000 2.314 528 Q HA 0.135 4.474 4.340 -0.002 0.000 0.257 528 Q C 0.384 176.406 176.000 0.036 0.000 0.975 528 Q CA -0.424 55.437 55.803 0.097 0.000 0.933 528 Q CB 0.829 29.738 28.738 0.287 0.000 1.195 528 Q HN 0.692 nan 8.270 nan 0.000 0.426 529 I N 0.468 120.991 120.570 -0.078 0.000 4.035 529 I HA 0.258 4.426 4.170 -0.002 0.000 0.321 529 I C 0.083 176.223 176.117 0.039 0.000 1.289 529 I CA 0.068 61.305 61.300 -0.105 0.000 1.236 529 I CB -0.238 37.525 38.000 -0.394 0.000 1.076 529 I HN 0.311 nan 8.210 nan 0.000 0.418 530 S N -0.502 115.298 115.700 0.167 0.000 2.596 530 S HA 0.635 5.104 4.470 -0.002 0.000 0.270 530 S C -1.363 173.478 174.600 0.402 0.000 1.155 530 S CA -0.484 57.865 58.200 0.249 0.000 0.827 530 S CB 2.638 65.899 63.200 0.102 0.000 1.130 530 S HN 0.485 nan 8.310 nan 0.000 0.467 531 H N -0.187 119.046 119.070 0.271 0.000 3.046 531 H HA 0.792 5.347 4.556 -0.002 0.000 0.363 531 H C -1.102 174.247 175.328 0.035 0.000 1.203 531 H CA -0.062 55.985 56.048 -0.002 0.000 1.169 531 H CB 1.993 31.697 29.762 -0.096 0.000 1.851 531 H HN 0.643 nan 8.280 nan 0.000 0.546 532 T N 2.368 116.279 114.554 -1.073 0.000 2.775 532 T HA 0.312 4.661 4.350 -0.002 0.000 0.320 532 T C -1.725 172.511 174.700 -0.774 0.000 1.597 532 T CA -0.690 60.885 62.100 -0.875 0.000 1.022 532 T CB 1.497 69.988 68.868 -0.629 0.000 1.485 532 T HN 0.643 nan 8.240 nan 0.000 0.494 533 E N 2.628 122.538 120.200 -0.482 0.000 2.145 533 E HA 0.546 4.895 4.350 -0.002 0.000 0.270 533 E C -0.463 175.988 176.600 -0.248 0.000 0.906 533 E CA -0.652 55.574 56.400 -0.291 0.000 0.761 533 E CB 0.638 30.230 29.700 -0.179 0.000 1.116 533 E HN 0.412 nan 8.360 nan 0.000 0.408 534 M N 3.044 122.512 119.600 -0.221 0.000 2.250 534 M HA 0.189 4.668 4.480 -0.002 0.000 0.344 534 M C 0.967 177.152 176.300 -0.193 0.000 1.150 534 M CA 0.201 55.391 55.300 -0.184 0.000 1.147 534 M CB 0.676 33.194 32.600 -0.136 0.000 1.498 534 M HN 0.611 nan 8.290 nan 0.000 0.461 535 E N 0.932 120.988 120.200 -0.240 0.000 2.209 535 E HA -0.144 4.205 4.350 -0.002 0.000 0.196 535 E C -0.181 175.910 176.600 -0.848 0.000 0.993 535 E CA 1.163 57.269 56.400 -0.490 0.000 0.819 535 E CB 0.129 29.535 29.700 -0.490 0.000 0.745 535 E HN 0.487 nan 8.360 nan 0.000 0.477 536 H N -0.859 118.213 119.070 0.004 0.000 2.980 536 H HA 0.175 4.730 4.556 -0.002 0.000 0.367 536 H C -0.704 174.641 175.328 0.028 0.000 1.206 536 H CA -0.860 55.209 56.048 0.035 0.000 1.126 536 H CB 0.950 30.770 29.762 0.096 0.000 1.838 536 H HN -0.022 nan 8.280 nan 0.000 0.552 537 E N 1.325 121.573 120.200 0.080 0.000 2.534 537 E HA 0.036 4.385 4.350 -0.002 0.000 0.264 537 E C -0.553 176.114 176.600 0.111 0.000 0.981 537 E CA -0.111 56.238 56.400 -0.085 0.000 0.948 537 E CB 0.637 30.025 29.700 -0.519 0.000 0.934 537 E HN 0.201 nan 8.360 nan 0.000 0.459 538 V N 4.286 124.255 119.914 0.091 0.000 2.530 538 V HA 0.191 4.310 4.120 -0.002 0.000 0.282 538 V C 0.929 177.233 176.094 0.350 0.000 1.048 538 V CA 0.629 63.045 62.300 0.194 0.000 0.997 538 V CB 1.034 32.917 31.823 0.100 0.000 0.987 538 V HN 0.870 nan 8.190 nan 0.000 0.477 539 A N 3.881 126.958 122.820 0.429 0.000 2.085 539 A HA 0.350 4.669 4.320 -0.002 0.000 0.208 539 A C 0.856 178.593 177.584 0.256 0.000 1.191 539 A CA 0.885 53.190 52.037 0.447 0.000 0.799 539 A CB 0.092 19.209 19.000 0.196 0.000 0.877 539 A HN 1.074 nan 8.150 nan 0.000 0.473 540 C N -2.684 116.727 119.300 0.186 0.000 3.307 540 C HA 0.787 5.246 4.460 -0.002 0.000 0.333 540 C C -1.184 173.873 174.990 0.111 0.000 1.291 540 C CA -1.316 57.791 59.018 0.148 0.000 1.273 540 C CB 0.333 28.146 27.740 0.122 0.000 1.580 540 C HN 0.295 nan 8.230 nan 0.000 0.481 541 L N 1.551 122.835 121.223 0.101 0.000 2.424 541 L HA 0.834 5.173 4.340 -0.002 0.000 0.258 541 L C -1.158 175.740 176.870 0.047 0.000 0.995 541 L CA -0.089 54.790 54.840 0.066 0.000 0.821 541 L CB 2.033 44.128 42.059 0.060 0.000 1.383 541 L HN 0.978 nan 8.230 nan 0.000 0.410 542 D N 2.355 122.767 120.400 0.021 0.000 2.878 542 D HA 0.285 4.924 4.640 -0.002 0.000 0.211 542 D C -1.355 174.930 176.300 -0.025 0.000 1.271 542 D CA -0.266 53.734 54.000 -0.000 0.000 0.845 542 D CB 2.505 43.316 40.800 0.018 0.000 1.679 542 D HN 0.476 nan 8.370 nan 0.000 0.536 543 I N 0.891 121.431 120.570 -0.051 0.000 2.944 543 I HA 0.244 4.413 4.170 -0.002 0.000 0.334 543 I C -0.293 175.783 176.117 -0.068 0.000 1.420 543 I CA -0.370 60.889 61.300 -0.069 0.000 0.856 543 I CB -0.259 37.684 38.000 -0.094 0.000 2.091 543 I HN 0.042 nan 8.210 nan 0.000 0.571 544 T N 6.145 120.667 114.554 -0.054 0.000 2.870 544 T HA 0.308 4.657 4.350 -0.002 0.000 0.300 544 T C -2.330 172.334 174.700 -0.061 0.000 0.989 544 T CA -0.421 61.650 62.100 -0.049 0.000 1.139 544 T CB 0.866 69.712 68.868 -0.035 0.000 0.920 544 T HN 0.409 nan 8.240 nan 0.000 0.537 545 P HA 0.421 nan 4.420 nan 0.000 0.293 545 P C -0.997 176.255 177.300 -0.081 0.000 1.300 545 P CA -0.488 62.570 63.100 -0.071 0.000 0.792 545 P CB 0.802 32.471 31.700 -0.052 0.000 0.925 546 L N 2.563 123.706 121.223 -0.133 0.000 2.330 546 L HA 0.804 5.143 4.340 -0.002 0.000 0.271 546 L C 1.122 177.881 176.870 -0.184 0.000 1.013 546 L CA -0.391 54.343 54.840 -0.177 0.000 0.816 546 L CB 1.486 43.336 42.059 -0.349 0.000 1.287 546 L HN 0.715 nan 8.230 nan 0.000 0.435 547 G N 1.442 110.190 108.800 -0.087 0.000 2.545 547 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.216 547 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.216 547 G C 0.082 174.978 174.900 -0.007 0.000 1.314 547 G CA 0.147 45.232 45.100 -0.024 0.000 0.906 547 G HN 0.815 nan 8.290 nan 0.000 0.563 548 D N -0.225 120.173 120.400 -0.002 0.000 2.216 548 D HA 0.005 4.644 4.640 -0.002 0.000 0.208 548 D C 1.841 178.137 176.300 -0.008 0.000 0.960 548 D CA 1.160 55.160 54.000 0.001 0.000 0.861 548 D CB -0.806 39.999 40.800 0.008 0.000 0.985 548 D HN 1.482 nan 8.370 nan 0.000 0.493 549 S N 1.846 117.536 115.700 -0.017 0.000 3.350 549 S HA -0.190 4.279 4.470 -0.002 0.000 0.391 549 S C 0.544 175.134 174.600 -0.016 0.000 0.887 549 S CA -0.415 57.774 58.200 -0.018 0.000 2.009 549 S CB -1.228 61.953 63.200 -0.030 0.000 1.135 549 S HN 0.250 nan 8.310 nan 0.000 0.653 550 N N 3.142 121.836 118.700 -0.009 0.000 2.217 550 N HA -0.053 4.686 4.740 -0.002 0.000 0.268 550 N C 1.540 177.042 175.510 -0.013 0.000 1.290 550 N CA 1.512 54.557 53.050 -0.009 0.000 0.831 550 N CB -0.071 38.412 38.487 -0.006 0.000 1.057 550 N HN 1.038 nan 8.380 nan 0.000 0.481 551 G N 2.745 111.536 108.800 -0.014 0.000 2.397 551 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.312 551 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.312 551 G C 0.104 174.995 174.900 -0.016 0.000 0.970 551 G CA 0.909 45.999 45.100 -0.016 0.000 0.770 551 G HN 0.581 nan 8.290 nan 0.000 0.513 552 L N 1.216 122.429 121.223 -0.016 0.000 2.427 552 L HA 0.606 4.945 4.340 -0.002 0.000 0.264 552 L C 0.419 177.272 176.870 -0.029 0.000 0.989 552 L CA -0.290 54.545 54.840 -0.008 0.000 0.865 552 L CB 1.639 43.704 42.059 0.010 0.000 1.209 552 L HN 0.300 nan 8.230 nan 0.000 0.430 553 S N 3.961 119.631 115.700 -0.050 0.000 2.562 553 S HA 0.632 5.101 4.470 -0.002 0.000 0.275 553 S C -2.143 172.400 174.600 -0.095 0.000 1.281 553 S CA -0.976 57.177 58.200 -0.078 0.000 1.045 553 S CB 1.317 64.462 63.200 -0.091 0.000 0.962 553 S HN 0.524 nan 8.310 nan 0.000 0.503 554 P HA 0.349 nan 4.420 nan 0.000 0.261 554 P C -0.574 176.656 177.300 -0.117 0.000 1.268 554 P CA 0.129 63.171 63.100 -0.097 0.000 0.833 554 P CB 0.084 31.741 31.700 -0.071 0.000 1.231 555 L N -0.900 120.253 121.223 -0.118 0.000 2.381 555 L HA 0.529 4.868 4.340 -0.002 0.000 0.268 555 L C -0.577 176.232 176.870 -0.102 0.000 0.997 555 L CA -1.076 53.703 54.840 -0.102 0.000 0.818 555 L CB 2.455 44.465 42.059 -0.083 0.000 1.310 555 L HN -0.182 nan 8.230 nan 0.000 0.416 556 C N 2.706 121.964 119.300 -0.069 0.000 2.340 556 C HA 0.848 5.307 4.460 -0.002 0.000 0.323 556 C C 0.337 175.321 174.990 -0.009 0.000 1.260 556 C CA -0.403 58.592 59.018 -0.038 0.000 1.464 556 C CB 0.444 28.192 27.740 0.012 0.000 2.156 556 C HN 0.878 nan 8.230 nan 0.000 0.476 557 A N 6.432 129.246 122.820 -0.010 0.000 2.290 557 A HA 0.813 5.132 4.320 -0.002 0.000 0.310 557 A C -0.704 176.888 177.584 0.014 0.000 1.202 557 A CA -0.434 51.602 52.037 -0.002 0.000 0.837 557 A CB 0.526 19.526 19.000 0.000 0.000 1.139 557 A HN 1.114 nan 8.150 nan 0.000 0.509 558 I N 1.413 121.992 120.570 0.015 0.000 2.802 558 I HA 0.707 4.876 4.170 -0.002 0.000 0.298 558 I C -0.039 176.097 176.117 0.033 0.000 1.176 558 I CA -0.548 60.769 61.300 0.027 0.000 1.025 558 I CB 2.276 40.284 38.000 0.014 0.000 1.243 558 I HN 0.736 nan 8.210 nan 0.000 0.424 559 G N 6.874 115.709 108.800 0.057 0.000 2.495 559 G HA2 0.686 4.645 3.960 -0.002 0.000 0.318 559 G HA3 0.686 4.645 3.960 -0.002 0.000 0.318 559 G C -1.217 173.746 174.900 0.105 0.000 1.257 559 G CA -0.539 44.595 45.100 0.058 0.000 0.962 559 G HN 0.551 nan 8.290 nan 0.000 0.483 560 L N -0.278 121.007 121.223 0.104 0.000 2.293 560 L HA 0.583 4.922 4.340 -0.002 0.000 0.264 560 L C 0.198 177.186 176.870 0.196 0.000 1.029 560 L CA -0.997 53.969 54.840 0.211 0.000 0.897 560 L CB 1.788 43.974 42.059 0.210 0.000 1.497 560 L HN 0.642 nan 8.230 nan 0.000 0.495 561 W N -1.370 119.954 121.300 0.039 0.000 2.870 561 W HA 0.220 4.879 4.660 -0.002 0.000 0.358 561 W C 1.290 177.780 176.519 -0.050 0.000 1.043 561 W CA 0.063 57.414 57.345 0.010 0.000 1.692 561 W CB 0.822 30.312 29.460 0.050 0.000 1.100 561 W HN 0.407 nan 8.180 nan 0.000 0.557 562 T N -1.583 113.001 114.554 0.050 0.000 3.280 562 T HA -0.091 4.258 4.350 -0.002 0.000 0.256 562 T C 1.260 175.839 174.700 -0.203 0.000 0.995 562 T CA 0.852 62.893 62.100 -0.098 0.000 1.144 562 T CB -0.193 68.513 68.868 -0.271 0.000 1.140 562 T HN 0.016 nan 8.240 nan 0.000 0.423 563 D N 2.806 122.995 120.400 -0.350 0.000 2.349 563 D HA -0.032 4.607 4.640 -0.002 0.000 0.224 563 D C 0.346 176.575 176.300 -0.119 0.000 1.029 563 D CA 0.089 53.952 54.000 -0.227 0.000 0.879 563 D CB -0.464 40.195 40.800 -0.235 0.000 0.906 563 D HN 0.350 nan 8.370 nan 0.000 0.528 564 I N 1.575 122.084 120.570 -0.102 0.000 4.847 564 I HA -0.253 3.916 4.170 -0.002 0.000 0.126 564 I C -0.571 175.496 176.117 -0.084 0.000 1.192 564 I CA 0.601 61.845 61.300 -0.093 0.000 2.660 564 I CB -2.796 35.142 38.000 -0.104 0.000 1.953 564 I HN 0.316 nan 8.210 nan 0.000 0.325 565 S N 2.850 118.519 115.700 -0.053 0.000 2.572 565 S HA 0.865 5.334 4.470 -0.002 0.000 0.274 565 S C -0.356 174.221 174.600 -0.038 0.000 1.150 565 S CA -0.346 57.822 58.200 -0.053 0.000 0.944 565 S CB 2.395 65.578 63.200 -0.029 0.000 1.071 565 S HN 1.191 nan 8.310 nan 0.000 0.479 566 A N 4.161 126.941 122.820 -0.067 0.000 2.260 566 A HA 0.715 5.034 4.320 -0.002 0.000 0.312 566 A C 0.437 177.987 177.584 -0.057 0.000 1.321 566 A CA -0.889 51.110 52.037 -0.063 0.000 0.928 566 A CB 0.217 19.153 19.000 -0.107 0.000 1.158 566 A HN 0.869 nan 8.150 nan 0.000 0.542 567 R N 2.867 123.356 120.500 -0.019 0.000 2.803 567 R HA 0.708 5.047 4.340 -0.002 0.000 0.276 567 R C -1.233 175.071 176.300 0.006 0.000 0.978 567 R CA -0.752 55.353 56.100 0.009 0.000 0.939 567 R CB 1.100 31.404 30.300 0.007 0.000 1.179 567 R HN 0.385 nan 8.270 nan 0.000 0.472 568 I N 3.174 123.757 120.570 0.022 0.000 2.437 568 I HA 0.431 4.600 4.170 -0.002 0.000 0.298 568 I C 0.103 176.233 176.117 0.022 0.000 0.984 568 I CA -1.007 60.294 61.300 0.002 0.000 1.214 568 I CB 1.426 39.411 38.000 -0.025 0.000 1.365 568 I HN 0.512 nan 8.210 nan 0.000 0.469 569 L N 4.116 125.353 121.223 0.023 0.000 2.381 569 L HA 0.394 4.733 4.340 -0.002 0.000 0.268 569 L C -0.055 176.819 176.870 0.006 0.000 0.997 569 L CA -1.186 53.684 54.840 0.051 0.000 0.818 569 L CB 2.040 44.184 42.059 0.142 0.000 1.310 569 L HN 0.418 nan 8.230 nan 0.000 0.416 570 K N 2.915 123.309 120.400 -0.009 0.000 2.165 570 K HA 0.035 4.354 4.320 -0.002 0.000 0.270 570 K C 1.150 177.660 176.600 -0.151 0.000 1.091 570 K CA -0.001 56.247 56.287 -0.064 0.000 1.019 570 K CB -0.162 32.308 32.500 -0.050 0.000 1.101 570 K HN 0.585 nan 8.250 nan 0.000 0.397 571 L N 5.661 126.769 121.223 -0.191 0.000 2.143 571 L HA -0.257 4.082 4.340 -0.002 0.000 0.231 571 L C -1.142 175.409 176.870 -0.531 0.000 1.106 571 L CA 2.433 57.054 54.840 -0.364 0.000 0.827 571 L CB -1.553 40.306 42.059 -0.335 0.000 0.915 571 L HN 0.564 nan 8.230 nan 0.000 0.448 572 P HA -0.142 nan 4.420 nan 0.000 0.208 572 P C 1.690 178.781 177.300 -0.348 0.000 1.180 572 P CA 2.633 65.619 63.100 -0.190 0.000 0.935 572 P CB -0.133 31.513 31.700 -0.091 0.000 0.785 573 S N -3.236 112.275 115.700 -0.315 0.000 2.539 573 S HA 0.234 4.703 4.470 -0.002 0.000 0.221 573 S C 0.338 174.806 174.600 -0.220 0.000 0.987 573 S CA -0.435 57.585 58.200 -0.299 0.000 0.929 573 S CB -0.967 62.182 63.200 -0.086 0.000 0.832 573 S HN 0.172 nan 8.310 nan 0.000 0.492 574 F N 1.460 121.377 119.950 -0.054 0.000 2.972 574 F HA -0.149 4.377 4.527 -0.002 0.000 0.298 574 F C 0.345 176.112 175.800 -0.055 0.000 0.841 574 F CA 0.191 58.150 58.000 -0.069 0.000 1.302 574 F CB -2.375 36.574 39.000 -0.086 0.000 1.364 574 F HN 0.317 nan 8.300 nan 0.000 0.530 575 E N 2.139 122.383 120.200 0.072 0.000 2.441 575 E HA 0.066 4.415 4.350 -0.002 0.000 0.210 575 E C 0.953 177.575 176.600 0.036 0.000 1.306 575 E CA -0.211 56.213 56.400 0.040 0.000 1.307 575 E CB 0.051 29.755 29.700 0.008 0.000 1.297 575 E HN 0.413 nan 8.360 nan 0.000 0.440 576 L N 1.571 122.824 121.223 0.050 0.000 3.869 576 L HA -0.262 4.077 4.340 -0.002 0.000 0.545 576 L C -0.033 176.853 176.870 0.027 0.000 0.998 576 L CA 0.849 55.708 54.840 0.031 0.000 0.957 576 L CB -0.177 41.889 42.059 0.011 0.000 0.746 576 L HN 0.549 nan 8.230 nan 0.000 0.820 577 L N 4.897 126.143 121.223 0.039 0.000 2.585 577 L HA 0.194 4.533 4.340 -0.002 0.000 0.226 577 L C 0.666 177.611 176.870 0.125 0.000 1.113 577 L CA 0.143 55.015 54.840 0.054 0.000 0.876 577 L CB -0.137 41.944 42.059 0.036 0.000 1.072 577 L HN 0.727 nan 8.230 nan 0.000 0.468 578 H N 0.898 119.949 119.070 -0.032 0.000 2.949 578 H HA 0.133 4.688 4.556 -0.002 0.000 0.284 578 H C -1.766 173.527 175.328 -0.059 0.000 1.178 578 H CA -0.815 55.207 56.048 -0.043 0.000 1.688 578 H CB 1.007 30.738 29.762 -0.051 0.000 2.133 578 H HN 0.108 nan 8.280 nan 0.000 0.480 579 K N 2.713 122.925 120.400 -0.313 0.000 2.316 579 K HA 0.590 4.909 4.320 -0.002 0.000 0.251 579 K C -0.882 175.575 176.600 -0.238 0.000 0.934 579 K CA -0.996 55.203 56.287 -0.147 0.000 0.802 579 K CB 2.903 35.340 32.500 -0.105 0.000 1.171 579 K HN 0.307 nan 8.250 nan 0.000 0.426 580 E N 3.418 123.575 120.200 -0.072 0.000 2.267 580 E HA 0.219 4.568 4.350 -0.002 0.000 0.248 580 E C -1.243 175.318 176.600 -0.065 0.000 0.899 580 E CA -0.655 55.721 56.400 -0.039 0.000 0.764 580 E CB 1.054 30.743 29.700 -0.019 0.000 1.227 580 E HN 0.614 nan 8.360 nan 0.000 0.421 581 M N 4.685 124.247 119.600 -0.063 0.000 2.303 581 M HA 0.208 4.687 4.480 -0.002 0.000 0.350 581 M C -1.240 174.994 176.300 -0.110 0.000 1.518 581 M CA 0.113 55.368 55.300 -0.075 0.000 1.070 581 M CB 0.029 32.596 32.600 -0.055 0.000 1.910 581 M HN 0.494 nan 8.290 nan 0.000 0.458 582 L N 2.904 124.019 121.223 -0.181 0.000 2.422 582 L HA 1.074 5.413 4.340 -0.002 0.000 0.264 582 L C -0.007 176.692 176.870 -0.285 0.000 0.984 582 L CA -0.534 54.089 54.840 -0.363 0.000 0.819 582 L CB 1.133 42.798 42.059 -0.656 0.000 1.330 582 L HN 0.858 nan 8.230 nan 0.000 0.410 583 G N 0.587 109.260 108.800 -0.212 0.000 2.877 583 G HA2 0.230 4.189 3.960 -0.002 0.000 0.279 583 G HA3 0.230 4.189 3.960 -0.002 0.000 0.279 583 G C 0.207 175.090 174.900 -0.027 0.000 1.431 583 G CA 0.241 45.326 45.100 -0.025 0.000 0.883 583 G HN 1.435 nan 8.290 nan 0.000 0.547 584 G N -1.533 107.264 108.800 -0.004 0.000 2.764 584 G HA2 0.438 4.397 3.960 -0.002 0.000 0.218 584 G HA3 0.438 4.397 3.960 -0.002 0.000 0.218 584 G C 1.045 175.927 174.900 -0.031 0.000 1.304 584 G CA 1.280 46.370 45.100 -0.016 0.000 0.847 584 G HN 0.862 nan 8.290 nan 0.000 0.610 585 E N -0.165 120.019 120.200 -0.027 0.000 2.465 585 E HA 0.223 4.572 4.350 -0.002 0.000 0.209 585 E C 0.520 177.082 176.600 -0.064 0.000 0.951 585 E CA -0.251 56.126 56.400 -0.039 0.000 0.997 585 E CB 0.708 30.395 29.700 -0.022 0.000 1.025 585 E HN 0.213 nan 8.360 nan 0.000 0.500 586 I N 3.765 124.300 120.570 -0.058 0.000 2.529 586 I HA 0.186 4.355 4.170 -0.002 0.000 0.284 586 I C 0.963 176.999 176.117 -0.134 0.000 1.082 586 I CA -0.781 60.469 61.300 -0.084 0.000 1.406 586 I CB 0.558 38.535 38.000 -0.039 0.000 1.405 586 I HN 0.033 nan 8.210 nan 0.000 0.548 587 I N 5.157 125.587 120.570 -0.233 0.000 2.566 587 I HA 0.481 4.650 4.170 -0.002 0.000 0.303 587 I C -2.480 173.500 176.117 -0.227 0.000 0.983 587 I CA -2.365 58.736 61.300 -0.333 0.000 1.235 587 I CB 1.251 38.807 38.000 -0.740 0.000 1.386 587 I HN 0.258 nan 8.210 nan 0.000 0.494 588 P HA 0.081 nan 4.420 nan 0.000 0.262 588 P C -0.350 176.921 177.300 -0.049 0.000 1.199 588 P CA 0.128 63.192 63.100 -0.061 0.000 0.763 588 P CB 0.693 32.374 31.700 -0.030 0.000 0.790 589 R N 2.498 122.999 120.500 0.002 0.000 2.128 589 R HA 0.214 4.553 4.340 -0.002 0.000 0.211 589 R C 0.422 176.762 176.300 0.066 0.000 1.067 589 R CA 0.871 56.985 56.100 0.024 0.000 1.010 589 R CB 0.238 30.550 30.300 0.020 0.000 0.922 589 R HN 0.465 nan 8.270 nan 0.000 0.457 590 S N -1.203 114.544 115.700 0.079 0.000 2.579 590 S HA 0.611 5.080 4.470 -0.002 0.000 0.272 590 S C -1.606 173.058 174.600 0.107 0.000 1.141 590 S CA -0.773 57.486 58.200 0.098 0.000 0.843 590 S CB 0.914 64.173 63.200 0.098 0.000 1.122 590 S HN 0.159 nan 8.310 nan 0.000 0.468 591 I N 2.744 123.377 120.570 0.105 0.000 2.775 591 I HA 0.760 4.929 4.170 -0.002 0.000 0.295 591 I C -2.231 173.942 176.117 0.094 0.000 1.287 591 I CA -0.831 60.533 61.300 0.106 0.000 1.029 591 I CB 1.826 39.877 38.000 0.084 0.000 1.282 591 I HN 0.792 nan 8.210 nan 0.000 0.426 592 L N 6.979 128.263 121.223 0.101 0.000 2.518 592 L HA 0.638 4.977 4.340 -0.002 0.000 0.257 592 L C -1.948 174.969 176.870 0.077 0.000 0.980 592 L CA -0.332 54.555 54.840 0.078 0.000 0.837 592 L CB 2.355 44.464 42.059 0.083 0.000 1.410 592 L HN 0.596 nan 8.230 nan 0.000 0.410 593 M N 2.769 122.393 119.600 0.039 0.000 2.383 593 M HA 0.717 5.196 4.480 -0.002 0.000 0.325 593 M C -0.855 175.442 176.300 -0.006 0.000 1.092 593 M CA -0.391 54.931 55.300 0.035 0.000 0.961 593 M CB 2.108 34.709 32.600 0.001 0.000 1.672 593 M HN 0.747 nan 8.290 nan 0.000 0.438 594 T N 0.037 114.583 114.554 -0.012 0.000 2.681 594 T HA 0.590 4.939 4.350 -0.002 0.000 0.296 594 T C -0.992 173.646 174.700 -0.103 0.000 1.157 594 T CA -0.699 61.310 62.100 -0.153 0.000 1.025 594 T CB 2.277 70.907 68.868 -0.396 0.000 1.441 594 T HN 0.572 nan 8.240 nan 0.000 0.504 595 T N 0.812 115.209 114.554 -0.262 0.000 2.921 595 T HA 0.574 4.923 4.350 -0.002 0.000 0.297 595 T C -0.382 174.130 174.700 -0.313 0.000 1.013 595 T CA -0.485 61.568 62.100 -0.080 0.000 0.990 595 T CB 1.174 70.097 68.868 0.092 0.000 1.023 595 T HN 0.479 nan 8.240 nan 0.000 0.447 596 F N 0.815 120.855 119.950 0.149 0.000 2.482 596 F HA 0.304 4.830 4.527 -0.002 0.000 0.278 596 F C 2.108 177.951 175.800 0.071 0.000 0.969 596 F CA -0.086 57.949 58.000 0.058 0.000 1.223 596 F CB 0.321 39.305 39.000 -0.026 0.000 1.140 596 F HN 0.423 nan 8.300 nan 0.000 0.672 597 E N -0.174 120.221 120.200 0.325 0.000 2.045 597 E HA 0.124 4.473 4.350 -0.002 0.000 0.195 597 E C 0.758 177.435 176.600 0.129 0.000 0.953 597 E CA 1.070 57.603 56.400 0.222 0.000 0.859 597 E CB 0.083 29.988 29.700 0.342 0.000 0.854 597 E HN -0.002 nan 8.360 nan 0.000 0.471 598 S N -0.946 114.798 115.700 0.074 0.000 3.088 598 S HA 0.272 4.741 4.470 -0.002 0.000 0.249 598 S C -0.869 173.575 174.600 -0.261 0.000 0.877 598 S CA -0.350 57.818 58.200 -0.053 0.000 1.184 598 S CB 0.958 64.151 63.200 -0.011 0.000 1.170 598 S HN -0.012 nan 8.310 nan 0.000 0.603 599 S N 2.725 118.320 115.700 -0.174 0.000 2.475 599 S HA 0.539 5.008 4.470 -0.002 0.000 0.298 599 S C -0.771 173.646 174.600 -0.304 0.000 1.119 599 S CA -0.684 57.333 58.200 -0.306 0.000 1.085 599 S CB 0.645 63.775 63.200 -0.117 0.000 1.028 599 S HN 0.365 nan 8.310 nan 0.000 0.489 600 H N 1.737 120.747 119.070 -0.100 0.000 2.473 600 H HA 0.476 5.031 4.556 -0.002 0.000 0.327 600 H C -1.018 174.224 175.328 -0.143 0.000 1.105 600 H CA -0.116 55.910 56.048 -0.035 0.000 1.280 600 H CB 0.567 30.306 29.762 -0.038 0.000 1.450 600 H HN 0.550 nan 8.280 nan 0.000 0.492 601 Y N 0.705 121.121 120.300 0.193 0.000 2.602 601 Y HA 0.295 4.844 4.550 -0.002 0.000 0.342 601 Y C -0.167 175.843 175.900 0.183 0.000 1.029 601 Y CA -1.069 57.168 58.100 0.228 0.000 1.080 601 Y CB 2.046 40.694 38.460 0.313 0.000 1.284 601 Y HN 0.342 nan 8.280 nan 0.000 0.485 602 L N 4.262 125.736 121.223 0.419 0.000 2.377 602 L HA 0.504 4.843 4.340 -0.002 0.000 0.270 602 L C -1.643 175.468 176.870 0.402 0.000 0.991 602 L CA -0.331 54.676 54.840 0.279 0.000 0.851 602 L CB 0.330 42.456 42.059 0.111 0.000 1.218 602 L HN 0.605 nan 8.230 nan 0.000 0.420 603 L N 4.025 125.446 121.223 0.329 0.000 2.416 603 L HA 0.615 4.954 4.340 -0.002 0.000 0.262 603 L C -0.217 176.831 176.870 0.297 0.000 1.093 603 L CA -0.592 54.465 54.840 0.362 0.000 0.801 603 L CB 1.870 44.094 42.059 0.275 0.000 1.191 603 L HN 0.710 nan 8.230 nan 0.000 0.459 604 C N 1.622 121.122 119.300 0.332 0.000 3.050 604 C HA 0.668 5.127 4.460 -0.002 0.000 0.416 604 C C -0.451 174.711 174.990 0.286 0.000 0.994 604 C CA -0.477 58.702 59.018 0.268 0.000 1.222 604 C CB 0.471 28.361 27.740 0.251 0.000 1.612 604 C HN 0.936 nan 8.230 nan 0.000 0.550 605 A N 6.473 129.412 122.820 0.199 0.000 2.304 605 A HA 0.815 5.134 4.320 -0.002 0.000 0.323 605 A C -0.584 177.078 177.584 0.130 0.000 1.195 605 A CA -0.432 51.707 52.037 0.169 0.000 0.826 605 A CB 0.643 19.715 19.000 0.120 0.000 1.184 605 A HN 0.940 nan 8.150 nan 0.000 0.496 606 L N 1.693 122.997 121.223 0.136 0.000 2.448 606 L HA 0.418 4.757 4.340 -0.002 0.000 0.258 606 L C 1.889 178.775 176.870 0.027 0.000 1.104 606 L CA -0.195 54.691 54.840 0.076 0.000 0.800 606 L CB 0.782 42.909 42.059 0.113 0.000 1.241 606 L HN 0.871 nan 8.230 nan 0.000 0.472 607 G N -0.363 108.427 108.800 -0.016 0.000 2.443 607 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.219 607 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.219 607 G C 0.974 175.865 174.900 -0.015 0.000 1.131 607 G CA 0.770 45.853 45.100 -0.028 0.000 0.775 607 G HN 0.855 nan 8.290 nan 0.000 0.547 608 D N -0.678 119.718 120.400 -0.007 0.000 2.277 608 D HA 0.192 4.831 4.640 -0.002 0.000 0.208 608 D C 1.744 178.037 176.300 -0.010 0.000 0.962 608 D CA 1.224 55.220 54.000 -0.008 0.000 0.865 608 D CB -0.414 40.384 40.800 -0.003 0.000 0.939 608 D HN 0.527 nan 8.370 nan 0.000 0.510 609 G N -0.782 108.017 108.800 -0.002 0.000 2.318 609 G HA2 0.034 3.993 3.960 -0.002 0.000 0.172 609 G HA3 0.034 3.993 3.960 -0.002 0.000 0.172 609 G C 0.378 175.263 174.900 -0.024 0.000 1.002 609 G CA 0.047 45.138 45.100 -0.014 0.000 0.697 609 G HN 0.694 nan 8.290 nan 0.000 0.483 610 A N 0.184 122.998 122.820 -0.011 0.000 2.425 610 A HA 0.718 5.037 4.320 -0.002 0.000 0.249 610 A C -0.171 177.407 177.584 -0.009 0.000 1.084 610 A CA 0.440 52.439 52.037 -0.064 0.000 0.781 610 A CB 0.951 19.942 19.000 -0.016 0.000 1.019 610 A HN 1.479 nan 8.150 nan 0.000 0.490 611 L N 3.174 124.331 121.223 -0.111 0.000 2.415 611 L HA 0.664 5.003 4.340 -0.002 0.000 0.268 611 L C -1.467 175.401 176.870 -0.003 0.000 0.984 611 L CA -0.256 54.615 54.840 0.053 0.000 0.853 611 L CB 0.420 42.543 42.059 0.106 0.000 1.215 611 L HN 0.540 nan 8.230 nan 0.000 0.419 612 F N 4.732 124.790 119.950 0.179 0.000 2.371 612 F HA 0.618 5.144 4.527 -0.002 0.000 0.329 612 F C -0.220 175.784 175.800 0.340 0.000 1.107 612 F CA 0.122 58.204 58.000 0.137 0.000 1.137 612 F CB 1.153 40.279 39.000 0.210 0.000 1.214 612 F HN 0.510 nan 8.300 nan 0.000 0.536 613 Y N 0.123 120.537 120.300 0.190 0.000 2.482 613 Y HA 0.756 5.305 4.550 -0.002 0.000 0.334 613 Y C -2.176 173.853 175.900 0.214 0.000 1.091 613 Y CA -2.145 56.167 58.100 0.354 0.000 1.027 613 Y CB 0.879 39.510 38.460 0.286 0.000 1.306 613 Y HN 0.354 nan 8.280 nan 0.000 0.446 614 F N 1.074 121.274 119.950 0.415 0.000 2.620 614 F HA 0.841 5.367 4.527 -0.002 0.000 0.320 614 F C 0.600 176.551 175.800 0.251 0.000 1.069 614 F CA -1.593 56.554 58.000 0.246 0.000 0.953 614 F CB 1.843 40.912 39.000 0.115 0.000 1.322 614 F HN 0.874 nan 8.300 nan 0.000 0.479 615 G N 0.903 109.862 108.800 0.265 0.000 2.415 615 G HA2 0.507 4.466 3.960 -0.002 0.000 0.269 615 G HA3 0.507 4.466 3.960 -0.002 0.000 0.269 615 G C -1.729 173.177 174.900 0.009 0.000 1.209 615 G CA -0.271 44.795 45.100 -0.056 0.000 0.835 615 G HN 0.511 nan 8.290 nan 0.000 0.534 616 L N 1.745 122.944 121.223 -0.039 0.000 2.346 616 L HA 0.516 4.855 4.340 -0.002 0.000 0.276 616 L C -0.612 176.263 176.870 0.007 0.000 1.006 616 L CA -1.265 53.573 54.840 -0.004 0.000 0.817 616 L CB 1.906 43.987 42.059 0.036 0.000 1.272 616 L HN 0.480 nan 8.230 nan 0.000 0.421 617 N N 5.145 123.833 118.700 -0.021 0.000 2.485 617 N HA 0.193 4.932 4.740 -0.002 0.000 0.243 617 N C 0.931 176.432 175.510 -0.015 0.000 0.987 617 N CA -0.361 52.688 53.050 -0.002 0.000 0.940 617 N CB 0.804 39.279 38.487 -0.020 0.000 1.122 617 N HN 0.812 nan 8.380 nan 0.000 0.509 618 I N -0.021 120.546 120.570 -0.005 0.000 3.334 618 I HA 0.032 4.201 4.170 -0.002 0.000 0.282 618 I C 0.831 176.920 176.117 -0.047 0.000 1.313 618 I CA 0.436 61.695 61.300 -0.068 0.000 1.396 618 I CB 0.179 38.078 38.000 -0.168 0.000 1.054 618 I HN 0.240 nan 8.210 nan 0.000 0.495 619 E N 2.039 122.226 120.200 -0.021 0.000 2.038 619 E HA -0.072 4.277 4.350 -0.002 0.000 0.190 619 E C 2.363 178.952 176.600 -0.018 0.000 0.967 619 E CA 2.049 58.439 56.400 -0.017 0.000 0.816 619 E CB -0.540 29.157 29.700 -0.005 0.000 0.784 619 E HN 0.618 nan 8.360 nan 0.000 0.456 620 T N -2.451 112.094 114.554 -0.014 0.000 3.054 620 T HA 0.212 4.561 4.350 -0.002 0.000 0.259 620 T C 1.554 176.245 174.700 -0.016 0.000 1.092 620 T CA 0.954 63.048 62.100 -0.010 0.000 1.121 620 T CB 0.154 69.022 68.868 -0.001 0.000 0.912 620 T HN 0.337 nan 8.240 nan 0.000 0.489 621 G N 1.359 110.137 108.800 -0.037 0.000 2.148 621 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.254 621 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.254 621 G C -0.088 174.749 174.900 -0.104 0.000 0.981 621 G CA 0.167 45.234 45.100 -0.056 0.000 0.670 621 G HN 0.642 nan 8.290 nan 0.000 0.528 622 L N 0.497 121.654 121.223 -0.110 0.000 2.349 622 L HA 0.563 4.902 4.340 -0.002 0.000 0.275 622 L C 1.085 177.761 176.870 -0.324 0.000 1.115 622 L CA -0.729 53.977 54.840 -0.223 0.000 0.820 622 L CB 0.948 42.975 42.059 -0.053 0.000 1.135 622 L HN 0.046 nan 8.230 nan 0.000 0.445 623 L N 2.557 123.381 121.223 -0.664 0.000 2.360 623 L HA 0.661 5.000 4.340 -0.002 0.000 0.271 623 L C 0.175 177.016 176.870 -0.048 0.000 1.057 623 L CA -0.234 54.396 54.840 -0.350 0.000 0.803 623 L CB 1.747 43.460 42.059 -0.577 0.000 1.207 623 L HN 0.808 nan 8.230 nan 0.000 0.445 624 S N -1.266 114.532 115.700 0.164 0.000 2.611 624 S HA 0.320 4.789 4.470 -0.002 0.000 0.268 624 S C -1.154 173.542 174.600 0.160 0.000 1.156 624 S CA -0.910 57.394 58.200 0.172 0.000 0.817 624 S CB 1.835 65.078 63.200 0.072 0.000 1.122 624 S HN 0.747 nan 8.310 nan 0.000 0.466 625 D N 0.342 120.785 120.400 0.072 0.000 2.699 625 D HA -0.150 4.489 4.640 -0.002 0.000 0.239 625 D C 0.015 176.232 176.300 -0.139 0.000 1.136 625 D CA 0.873 54.871 54.000 -0.003 0.000 0.668 625 D CB -0.721 40.098 40.800 0.031 0.000 1.060 625 D HN 0.703 nan 8.370 nan 0.000 0.429 626 R N 1.437 121.805 120.500 -0.220 0.000 2.808 626 R HA 0.004 4.343 4.340 -0.002 0.000 0.248 626 R C 0.380 176.345 176.300 -0.560 0.000 1.539 626 R CA 0.363 56.077 56.100 -0.644 0.000 1.071 626 R CB 0.177 30.205 30.300 -0.452 0.000 1.172 626 R HN 0.123 nan 8.270 nan 0.000 0.579 627 K N 2.567 122.515 120.400 -0.753 0.000 2.098 627 K HA 0.263 4.582 4.320 -0.002 0.000 0.244 627 K C -0.331 175.778 176.600 -0.819 0.000 1.014 627 K CA -0.520 55.313 56.287 -0.755 0.000 0.917 627 K CB 1.041 32.992 32.500 -0.915 0.000 1.072 627 K HN 0.331 nan 8.250 nan 0.000 0.477 628 K N 0.493 120.549 120.400 -0.574 0.000 2.546 628 K HA 0.400 4.719 4.320 -0.002 0.000 0.264 628 K C -1.376 174.990 176.600 -0.390 0.000 0.937 628 K CA -0.679 55.274 56.287 -0.555 0.000 0.833 628 K CB 1.814 33.897 32.500 -0.695 0.000 1.378 628 K HN 0.499 nan 8.250 nan 0.000 0.432 629 V N -1.783 117.898 119.914 -0.388 0.000 3.103 629 V HA 0.755 4.874 4.120 -0.002 0.000 0.311 629 V C -1.075 174.826 176.094 -0.322 0.000 1.322 629 V CA -0.519 61.558 62.300 -0.371 0.000 1.063 629 V CB 1.507 32.992 31.823 -0.563 0.000 1.090 629 V HN 0.927 nan 8.190 nan 0.000 0.462 630 T N -0.549 113.840 114.554 -0.276 0.000 3.011 630 T HA 0.715 5.064 4.350 -0.002 0.000 0.303 630 T C -0.377 174.229 174.700 -0.156 0.000 0.997 630 T CA -0.521 61.466 62.100 -0.188 0.000 1.007 630 T CB 1.045 69.821 68.868 -0.154 0.000 1.017 630 T HN 0.750 nan 8.240 nan 0.000 0.443 631 L N 3.047 124.206 121.223 -0.106 0.000 2.600 631 L HA 0.704 5.043 4.340 -0.002 0.000 0.179 631 L C 2.009 178.844 176.870 -0.059 0.000 1.609 631 L CA -0.768 54.028 54.840 -0.074 0.000 3.107 631 L CB -0.689 41.350 42.059 -0.035 0.000 2.940 631 L HN 0.828 nan 8.230 nan 0.000 0.916 632 G N -0.684 108.090 108.800 -0.044 0.000 2.647 632 G HA2 0.188 4.147 3.960 -0.002 0.000 0.271 632 G HA3 0.188 4.147 3.960 -0.002 0.000 0.271 632 G C 0.720 175.598 174.900 -0.037 0.000 1.300 632 G CA 0.464 45.540 45.100 -0.039 0.000 0.997 632 G HN 0.607 nan 8.290 nan 0.000 0.533 633 T N -3.120 111.416 114.554 -0.031 0.000 3.014 633 T HA 0.243 4.592 4.350 -0.002 0.000 0.250 633 T C 0.925 175.611 174.700 -0.023 0.000 1.060 633 T CA 0.304 62.388 62.100 -0.027 0.000 1.040 633 T CB 0.147 69.001 68.868 -0.023 0.000 0.971 633 T HN 0.468 nan 8.240 nan 0.000 0.497 634 Q N 1.883 121.669 119.800 -0.025 0.000 2.195 634 Q HA 0.428 4.767 4.340 -0.002 0.000 0.250 634 Q C -2.583 173.402 176.000 -0.025 0.000 0.988 634 Q CA -2.897 52.891 55.803 -0.024 0.000 0.911 634 Q CB 1.062 29.783 28.738 -0.028 0.000 1.258 634 Q HN 0.156 nan 8.270 nan 0.000 0.475 635 P HA -0.122 nan 4.420 nan 0.000 0.269 635 P C -0.818 176.467 177.300 -0.026 0.000 1.200 635 P CA 0.404 63.492 63.100 -0.020 0.000 0.779 635 P CB 0.429 32.118 31.700 -0.018 0.000 0.841 636 T N 0.864 115.415 114.554 -0.005 0.000 2.848 636 T HA 0.364 4.713 4.350 -0.002 0.000 0.285 636 T C -0.378 174.334 174.700 0.020 0.000 0.995 636 T CA -0.472 61.629 62.100 0.002 0.000 0.970 636 T CB 1.206 70.090 68.868 0.027 0.000 0.976 636 T HN 0.080 nan 8.240 nan 0.000 0.441 637 V N 4.666 124.584 119.914 0.006 0.000 2.435 637 V HA 0.496 4.615 4.120 -0.002 0.000 0.290 637 V C -0.355 175.791 176.094 0.088 0.000 1.030 637 V CA -0.800 61.521 62.300 0.036 0.000 0.881 637 V CB 1.321 33.129 31.823 -0.024 0.000 0.983 637 V HN 0.700 nan 8.190 nan 0.000 0.445 638 L N 5.732 127.021 121.223 0.109 0.000 2.296 638 L HA 0.713 5.052 4.340 -0.002 0.000 0.286 638 L C -0.156 176.796 176.870 0.135 0.000 1.023 638 L CA -0.504 54.416 54.840 0.134 0.000 0.812 638 L CB 1.513 43.649 42.059 0.129 0.000 1.223 638 L HN 0.509 nan 8.230 nan 0.000 0.421 639 R N 0.863 121.466 120.500 0.171 0.000 2.686 639 R HA 0.561 4.900 4.340 -0.002 0.000 0.283 639 R C -0.899 175.522 176.300 0.202 0.000 0.978 639 R CA -0.533 55.660 56.100 0.154 0.000 0.897 639 R CB 2.370 32.735 30.300 0.107 0.000 1.192 639 R HN 0.441 nan 8.270 nan 0.000 0.457 640 T N 4.004 118.647 114.554 0.148 0.000 2.845 640 T HA 0.594 4.943 4.350 -0.002 0.000 0.288 640 T C -0.706 174.112 174.700 0.196 0.000 0.980 640 T CA -0.163 62.008 62.100 0.118 0.000 1.071 640 T CB 0.278 69.162 68.868 0.027 0.000 0.941 640 T HN 0.430 nan 8.240 nan 0.000 0.487 641 F N 1.039 121.011 119.950 0.038 0.000 2.824 641 F HA 0.834 5.360 4.527 -0.002 0.000 0.330 641 F C -1.211 174.601 175.800 0.019 0.000 1.175 641 F CA -1.644 56.367 58.000 0.017 0.000 0.974 641 F CB 1.551 40.559 39.000 0.015 0.000 1.430 641 F HN 0.504 nan 8.300 nan 0.000 0.507 642 R N 0.602 121.163 120.500 0.101 0.000 2.533 642 R HA 0.520 4.859 4.340 -0.002 0.000 0.288 642 R C -0.609 175.750 176.300 0.098 0.000 1.039 642 R CA -0.080 55.969 56.100 -0.084 0.000 0.909 642 R CB 1.693 31.986 30.300 -0.012 0.000 1.195 642 R HN 0.957 nan 8.270 nan 0.000 0.438 643 S N 4.254 119.947 115.700 -0.012 0.000 2.315 643 S HA -0.103 4.366 4.470 -0.002 0.000 0.196 643 S C 1.723 176.354 174.600 0.053 0.000 1.045 643 S CA 0.742 58.999 58.200 0.094 0.000 1.055 643 S CB -0.620 62.588 63.200 0.014 0.000 0.963 643 S HN 0.751 nan 8.310 nan 0.000 0.439 644 L N -0.799 120.429 121.223 0.009 0.000 2.379 644 L HA 0.440 4.779 4.340 -0.002 0.000 0.190 644 L C 2.127 179.004 176.870 0.011 0.000 1.111 644 L CA 0.866 55.714 54.840 0.014 0.000 0.820 644 L CB -0.454 41.607 42.059 0.003 0.000 1.046 644 L HN 0.607 nan 8.230 nan 0.000 0.485 645 S N -1.368 114.330 115.700 -0.003 0.000 2.648 645 S HA 0.153 4.622 4.470 -0.002 0.000 0.270 645 S C 0.929 175.523 174.600 -0.010 0.000 1.082 645 S CA 0.208 58.409 58.200 0.001 0.000 1.116 645 S CB -0.333 62.870 63.200 0.005 0.000 1.040 645 S HN 0.630 nan 8.310 nan 0.000 0.572 646 T N 0.828 115.366 114.554 -0.027 0.000 2.770 646 T HA 0.570 4.919 4.350 -0.002 0.000 0.281 646 T C -0.075 174.571 174.700 -0.090 0.000 0.981 646 T CA -0.119 61.959 62.100 -0.037 0.000 0.955 646 T CB 1.260 70.113 68.868 -0.025 0.000 1.060 646 T HN 0.174 nan 8.240 nan 0.000 0.531 647 T N 0.366 114.857 114.554 -0.106 0.000 2.841 647 T HA 0.482 4.831 4.350 -0.002 0.000 0.285 647 T C -0.958 173.603 174.700 -0.232 0.000 0.991 647 T CA -0.819 61.162 62.100 -0.199 0.000 0.966 647 T CB 0.013 68.784 68.868 -0.162 0.000 0.962 647 T HN 0.739 nan 8.240 nan 0.000 0.438 648 N N 2.053 120.455 118.700 -0.496 0.000 2.381 648 N HA 0.714 5.453 4.740 -0.002 0.000 0.294 648 N C -1.405 173.923 175.510 -0.304 0.000 1.216 648 N CA -1.053 51.762 53.050 -0.391 0.000 0.803 648 N CB 2.257 40.346 38.487 -0.664 0.000 1.372 648 N HN 0.317 nan 8.380 nan 0.000 0.500 649 V N 1.575 121.512 119.914 0.039 0.000 2.448 649 V HA 0.345 4.464 4.120 -0.002 0.000 0.295 649 V C -0.991 175.287 176.094 0.307 0.000 1.025 649 V CA -0.685 61.718 62.300 0.172 0.000 0.859 649 V CB 1.026 32.933 31.823 0.141 0.000 0.988 649 V HN 0.551 nan 8.190 nan 0.000 0.431 650 F N 4.181 124.307 119.950 0.293 0.000 2.385 650 F HA 0.728 5.254 4.527 -0.002 0.000 0.360 650 F C 0.483 176.337 175.800 0.089 0.000 1.122 650 F CA -0.460 57.662 58.000 0.204 0.000 1.090 650 F CB 0.815 39.888 39.000 0.121 0.000 1.150 650 F HN 0.582 nan 8.300 nan 0.000 0.472 651 A N 5.947 128.769 122.820 0.004 0.000 2.260 651 A HA 0.557 4.876 4.320 -0.002 0.000 0.314 651 A C -0.939 176.686 177.584 0.068 0.000 1.257 651 A CA -0.518 51.563 52.037 0.073 0.000 0.871 651 A CB 0.038 19.048 19.000 0.017 0.000 1.166 651 A HN 0.842 nan 8.150 nan 0.000 0.522 652 C N 2.717 122.116 119.300 0.165 0.000 2.330 652 C HA 0.874 5.333 4.460 -0.002 0.000 0.344 652 C C 0.926 175.910 174.990 -0.009 0.000 1.273 652 C CA 0.131 59.221 59.018 0.120 0.000 1.879 652 C CB -0.415 27.340 27.740 0.025 0.000 2.376 652 C HN 1.174 nan 8.230 nan 0.000 0.534 653 S N 1.232 116.919 115.700 -0.021 0.000 2.671 653 S HA 0.255 4.724 4.470 -0.002 0.000 0.270 653 S C 0.125 174.701 174.600 -0.040 0.000 1.166 653 S CA -0.110 58.063 58.200 -0.045 0.000 0.868 653 S CB 0.392 63.571 63.200 -0.035 0.000 1.190 653 S HN 0.702 nan 8.310 nan 0.000 0.494 654 D N 0.052 120.428 120.400 -0.039 0.000 2.378 654 D HA -0.062 4.577 4.640 -0.002 0.000 0.222 654 D C 0.309 176.590 176.300 -0.032 0.000 0.980 654 D CA 0.445 54.426 54.000 -0.033 0.000 0.907 654 D CB -0.237 40.546 40.800 -0.029 0.000 0.899 654 D HN 0.518 nan 8.370 nan 0.000 0.527 655 R N 0.874 121.351 120.500 -0.038 0.000 2.547 655 R HA 0.309 4.648 4.340 -0.002 0.000 0.280 655 R C -2.761 173.499 176.300 -0.066 0.000 1.630 655 R CA -1.684 54.388 56.100 -0.046 0.000 1.470 655 R CB 1.467 31.740 30.300 -0.046 0.000 1.178 655 R HN -0.033 nan 8.270 nan 0.000 0.591 656 P HA -0.093 nan 4.420 nan 0.000 0.259 656 P C -0.649 176.504 177.300 -0.246 0.000 1.163 656 P CA 0.924 63.939 63.100 -0.141 0.000 0.760 656 P CB 0.689 32.352 31.700 -0.061 0.000 0.762 657 T N 1.957 116.279 114.554 -0.387 0.000 2.903 657 T HA 0.500 4.849 4.350 -0.002 0.000 0.299 657 T C -0.802 173.636 174.700 -0.436 0.000 1.093 657 T CA -0.516 61.406 62.100 -0.296 0.000 1.002 657 T CB 1.465 70.275 68.868 -0.098 0.000 1.127 657 T HN -0.063 nan 8.240 nan 0.000 0.488 658 V N 2.733 122.503 119.914 -0.240 0.000 2.483 658 V HA 0.520 4.639 4.120 -0.002 0.000 0.297 658 V C -0.430 175.614 176.094 -0.083 0.000 1.027 658 V CA -0.760 61.466 62.300 -0.124 0.000 0.855 658 V CB 1.410 33.232 31.823 -0.001 0.000 0.995 658 V HN 0.742 nan 8.190 nan 0.000 0.424 659 I N 5.871 126.360 120.570 -0.134 0.000 2.566 659 I HA 0.709 4.878 4.170 -0.002 0.000 0.303 659 I C -0.222 175.779 176.117 -0.193 0.000 0.983 659 I CA -0.438 60.602 61.300 -0.433 0.000 1.235 659 I CB 1.597 39.276 38.000 -0.533 0.000 1.386 659 I HN 0.854 nan 8.210 nan 0.000 0.494 660 Y N 1.988 121.836 120.300 -0.753 0.000 2.982 660 Y HA 0.488 5.037 4.550 -0.002 0.000 0.355 660 Y C -1.383 174.017 175.900 -0.832 0.000 1.408 660 Y CA -1.162 56.549 58.100 -0.648 0.000 1.107 660 Y CB 0.857 39.158 38.460 -0.264 0.000 2.117 660 Y HN 0.415 nan 8.280 nan 0.000 0.411 661 S N 0.086 115.553 115.700 -0.389 0.000 2.521 661 S HA 0.508 4.977 4.470 -0.002 0.000 0.295 661 S C 0.000 174.470 174.600 -0.217 0.000 1.098 661 S CA 0.086 58.027 58.200 -0.431 0.000 0.999 661 S CB 1.828 64.896 63.200 -0.219 0.000 1.034 661 S HN 0.960 nan 8.310 nan 0.000 0.483 662 S N 3.593 119.119 115.700 -0.289 0.000 2.371 662 S HA 0.174 4.643 4.470 -0.002 0.000 0.219 662 S C 1.057 175.586 174.600 -0.119 0.000 1.040 662 S CA 1.215 59.326 58.200 -0.149 0.000 0.958 662 S CB -0.353 62.744 63.200 -0.171 0.000 0.860 662 S HN 0.807 nan 8.310 nan 0.000 0.487 663 N N -1.659 116.942 118.700 -0.166 0.000 2.995 663 N HA 0.291 5.030 4.740 -0.002 0.000 0.254 663 N C 0.062 175.280 175.510 -0.486 0.000 0.967 663 N CA 0.060 52.942 53.050 -0.279 0.000 1.054 663 N CB 0.687 39.071 38.487 -0.172 0.000 1.615 663 N HN 0.175 nan 8.380 nan 0.000 0.766 664 H N -0.957 118.114 119.070 0.001 0.000 3.334 664 H HA 0.298 4.853 4.556 -0.002 0.000 0.256 664 H C -0.961 174.383 175.328 0.026 0.000 1.162 664 H CA -0.077 55.994 56.048 0.039 0.000 1.030 664 H CB 0.602 30.400 29.762 0.061 0.000 2.151 664 H HN 0.056 nan 8.280 nan 0.000 0.742 665 K N 1.685 122.096 120.400 0.018 0.000 2.292 665 K HA 0.391 4.710 4.320 -0.002 0.000 0.257 665 K C -0.397 176.058 176.600 -0.241 0.000 0.940 665 K CA -0.527 55.735 56.287 -0.042 0.000 0.811 665 K CB 1.675 34.161 32.500 -0.025 0.000 1.120 665 K HN 0.002 nan 8.250 nan 0.000 0.428 666 L N 3.199 124.223 121.223 -0.333 0.000 2.467 666 L HA 0.231 4.570 4.340 -0.002 0.000 0.270 666 L C -0.230 176.291 176.870 -0.582 0.000 1.205 666 L CA -0.596 53.839 54.840 -0.675 0.000 0.828 666 L CB 1.078 42.604 42.059 -0.888 0.000 1.101 666 L HN 0.352 nan 8.230 nan 0.000 0.479 667 V N 2.220 121.588 119.914 -0.910 0.000 2.604 667 V HA 0.336 4.455 4.120 -0.002 0.000 0.305 667 V C -0.719 174.934 176.094 -0.736 0.000 1.043 667 V CA -0.376 61.479 62.300 -0.742 0.000 0.888 667 V CB 1.773 32.876 31.823 -1.200 0.000 0.995 667 V HN 0.391 nan 8.190 nan 0.000 0.429 668 F N 2.027 121.790 119.950 -0.311 0.000 2.371 668 F HA 0.410 4.936 4.527 -0.002 0.000 0.343 668 F C 0.978 176.699 175.800 -0.132 0.000 1.150 668 F CA -0.309 57.565 58.000 -0.211 0.000 1.220 668 F CB 1.076 39.961 39.000 -0.191 0.000 1.475 668 F HN 0.387 nan 8.300 nan 0.000 0.521 669 S N 1.457 117.168 115.700 0.018 0.000 2.572 669 S HA 0.152 4.621 4.470 -0.002 0.000 0.279 669 S C 0.349 174.941 174.600 -0.013 0.000 1.341 669 S CA -0.602 57.619 58.200 0.035 0.000 1.043 669 S CB 0.399 63.658 63.200 0.099 0.000 0.887 669 S HN 0.411 nan 8.310 nan 0.000 0.516 670 N N 0.985 119.671 118.700 -0.024 0.000 2.524 670 N HA 0.314 5.053 4.740 -0.002 0.000 0.283 670 N C -0.905 174.552 175.510 -0.088 0.000 1.142 670 N CA -0.258 52.758 53.050 -0.058 0.000 0.984 670 N CB 1.214 39.673 38.487 -0.047 0.000 1.155 670 N HN 0.229 nan 8.380 nan 0.000 0.467 671 V N 2.408 122.252 119.914 -0.117 0.000 2.398 671 V HA 0.152 4.271 4.120 -0.002 0.000 0.286 671 V C 0.376 176.401 176.094 -0.114 0.000 1.026 671 V CA -0.930 61.294 62.300 -0.126 0.000 0.868 671 V CB 1.234 32.970 31.823 -0.146 0.000 0.982 671 V HN 0.508 nan 8.190 nan 0.000 0.443 672 N N 5.577 124.185 118.700 -0.154 0.000 3.085 672 N HA 0.170 4.909 4.740 -0.002 0.000 0.313 672 N C -0.622 174.829 175.510 -0.098 0.000 1.277 672 N CA 0.393 53.353 53.050 -0.151 0.000 1.150 672 N CB -0.242 38.094 38.487 -0.252 0.000 1.437 672 N HN 0.512 nan 8.380 nan 0.000 0.558 673 L N -0.095 121.089 121.223 -0.065 0.000 2.371 673 L HA 0.285 4.624 4.340 -0.002 0.000 0.262 673 L C 1.271 178.124 176.870 -0.027 0.000 1.006 673 L CA -0.780 54.036 54.840 -0.040 0.000 0.818 673 L CB 2.289 44.336 42.059 -0.020 0.000 1.354 673 L HN -0.132 nan 8.230 nan 0.000 0.415 674 K N 0.959 121.347 120.400 -0.021 0.000 2.063 674 K HA -0.051 4.268 4.320 -0.002 0.000 0.208 674 K C 0.168 176.758 176.600 -0.017 0.000 1.048 674 K CA 1.451 57.729 56.287 -0.016 0.000 0.928 674 K CB 0.260 32.751 32.500 -0.014 0.000 0.713 674 K HN 0.614 nan 8.250 nan 0.000 0.442 675 E N -1.926 118.264 120.200 -0.015 0.000 2.381 675 E HA 0.262 4.611 4.350 -0.002 0.000 0.281 675 E C -1.825 174.768 176.600 -0.011 0.000 1.151 675 E CA -0.655 55.736 56.400 -0.015 0.000 0.904 675 E CB 1.061 30.746 29.700 -0.025 0.000 1.234 675 E HN -0.197 nan 8.360 nan 0.000 0.427 676 V N 3.263 123.171 119.914 -0.010 0.000 2.752 676 V HA 0.304 4.423 4.120 -0.002 0.000 0.302 676 V C 0.024 176.057 176.094 -0.103 0.000 1.133 676 V CA -0.783 61.502 62.300 -0.025 0.000 0.919 676 V CB 1.754 33.626 31.823 0.081 0.000 1.026 676 V HN 0.729 nan 8.190 nan 0.000 0.429 677 N N 2.182 120.760 118.700 -0.204 0.000 2.436 677 N HA 0.162 4.901 4.740 -0.002 0.000 0.178 677 N C -0.471 174.505 175.510 -0.891 0.000 1.026 677 N CA 0.971 53.727 53.050 -0.489 0.000 0.880 677 N CB 0.643 38.877 38.487 -0.421 0.000 1.061 677 N HN 0.648 nan 8.380 nan 0.000 0.434 678 Y N -0.621 119.592 120.300 -0.144 0.000 2.581 678 Y HA 0.585 5.134 4.550 -0.002 0.000 0.345 678 Y C 0.014 175.736 175.900 -0.297 0.000 1.036 678 Y CA -1.044 56.927 58.100 -0.215 0.000 1.042 678 Y CB 2.087 40.383 38.460 -0.273 0.000 1.289 678 Y HN -0.220 nan 8.280 nan 0.000 0.471 679 M N 2.553 122.034 119.600 -0.199 0.000 2.643 679 M HA 0.704 5.183 4.480 -0.002 0.000 0.276 679 M C -2.107 174.003 176.300 -0.316 0.000 1.200 679 M CA -0.568 54.512 55.300 -0.367 0.000 0.863 679 M CB 1.746 33.915 32.600 -0.718 0.000 1.711 679 M HN 1.003 nan 8.290 nan 0.000 0.492 680 C N 0.526 119.640 119.300 -0.309 0.000 3.285 680 C HA 0.834 5.293 4.460 -0.002 0.000 0.325 680 C C -3.075 171.796 174.990 -0.199 0.000 1.304 680 C CA -1.184 57.709 59.018 -0.209 0.000 1.319 680 C CB 1.530 29.151 27.740 -0.198 0.000 1.640 680 C HN 0.701 nan 8.230 nan 0.000 0.477 681 P HA 0.225 nan 4.420 nan 0.000 0.274 681 P C -0.226 176.947 177.300 -0.212 0.000 1.470 681 P CA -0.067 62.951 63.100 -0.137 0.000 1.001 681 P CB 0.282 31.960 31.700 -0.037 0.000 1.332 682 L N 4.123 125.244 121.223 -0.170 0.000 2.380 682 L HA 0.338 4.677 4.340 -0.002 0.000 0.273 682 L C 0.179 176.979 176.870 -0.115 0.000 1.138 682 L CA 0.606 55.367 54.840 -0.133 0.000 0.832 682 L CB 0.337 42.367 42.059 -0.048 0.000 1.124 682 L HN 0.319 nan 8.230 nan 0.000 0.454 683 N N 2.565 121.193 118.700 -0.120 0.000 2.716 683 N HA 0.137 4.876 4.740 -0.002 0.000 0.245 683 N C -0.610 175.009 175.510 0.182 0.000 1.495 683 N CA -0.068 52.985 53.050 0.005 0.000 0.759 683 N CB 0.684 39.111 38.487 -0.100 0.000 1.261 683 N HN 0.719 nan 8.380 nan 0.000 0.515 684 S N -0.065 115.737 115.700 0.170 0.000 2.618 684 S HA 0.477 4.946 4.470 -0.002 0.000 0.284 684 S C 0.572 175.223 174.600 0.084 0.000 1.102 684 S CA -0.323 57.969 58.200 0.153 0.000 0.984 684 S CB 1.136 64.422 63.200 0.144 0.000 1.280 684 S HN 0.151 nan 8.310 nan 0.000 0.525 685 D N 0.204 120.619 120.400 0.025 0.000 2.262 685 D HA 0.132 4.771 4.640 -0.002 0.000 0.212 685 D C 1.795 178.033 176.300 -0.104 0.000 0.964 685 D CA 1.053 55.040 54.000 -0.021 0.000 0.875 685 D CB -0.437 40.348 40.800 -0.025 0.000 0.996 685 D HN 0.683 nan 8.370 nan 0.000 0.497 686 G N -0.346 108.314 108.800 -0.233 0.000 2.539 686 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.215 686 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.215 686 G C 0.096 174.624 174.900 -0.621 0.000 1.141 686 G CA 0.161 44.952 45.100 -0.514 0.000 0.806 686 G HN 0.138 nan 8.290 nan 0.000 0.533 687 Y N 0.798 121.129 120.300 0.053 0.000 2.662 687 Y HA 0.394 4.943 4.550 -0.002 0.000 0.358 687 Y C -2.101 173.852 175.900 0.089 0.000 1.041 687 Y CA -3.235 54.926 58.100 0.102 0.000 1.184 687 Y CB 0.995 39.526 38.460 0.118 0.000 1.114 687 Y HN -0.019 nan 8.280 nan 0.000 0.650 688 P HA -0.153 nan 4.420 nan 0.000 0.226 688 P C -0.167 177.206 177.300 0.121 0.000 1.275 688 P CA 0.882 64.059 63.100 0.129 0.000 0.772 688 P CB 0.484 32.248 31.700 0.107 0.000 0.766 689 D N -0.091 120.369 120.400 0.100 0.000 2.482 689 D HA 0.123 4.762 4.640 -0.002 0.000 0.244 689 D C 0.083 176.420 176.300 0.061 0.000 1.242 689 D CA 0.800 54.845 54.000 0.075 0.000 1.097 689 D CB -0.818 40.029 40.800 0.078 0.000 1.109 689 D HN 0.070 nan 8.370 nan 0.000 0.510 690 S N 0.616 116.336 115.700 0.034 0.000 2.874 690 S HA 0.766 5.235 4.470 -0.002 0.000 0.318 690 S C -0.490 174.048 174.600 -0.103 0.000 1.109 690 S CA -0.766 57.423 58.200 -0.019 0.000 0.878 690 S CB 1.335 64.554 63.200 0.032 0.000 1.307 690 S HN 0.109 nan 8.310 nan 0.000 0.592 691 L N 0.225 121.344 121.223 -0.174 0.000 2.415 691 L HA 0.841 5.180 4.340 -0.002 0.000 0.256 691 L C -0.691 176.026 176.870 -0.254 0.000 1.010 691 L CA -0.504 54.181 54.840 -0.259 0.000 0.826 691 L CB 1.651 43.467 42.059 -0.405 0.000 1.405 691 L HN 0.828 nan 8.230 nan 0.000 0.410 692 A N 2.296 124.954 122.820 -0.269 0.000 2.371 692 A HA 1.007 5.326 4.320 -0.002 0.000 0.311 692 A C -1.182 176.227 177.584 -0.291 0.000 1.068 692 A CA -0.464 51.430 52.037 -0.239 0.000 0.744 692 A CB 1.372 20.267 19.000 -0.174 0.000 1.239 692 A HN 0.777 nan 8.150 nan 0.000 0.435 693 L N -1.435 119.637 121.223 -0.252 0.000 2.568 693 L HA 1.062 5.401 4.340 -0.002 0.000 0.257 693 L C -0.550 176.226 176.870 -0.156 0.000 1.024 693 L CA -1.019 53.671 54.840 -0.250 0.000 0.854 693 L CB 1.937 43.808 42.059 -0.313 0.000 1.460 693 L HN 1.275 nan 8.230 nan 0.000 0.409 694 A N 0.816 123.567 122.820 -0.115 0.000 2.547 694 A HA 0.756 5.074 4.320 -0.002 0.000 0.297 694 A C -1.375 176.182 177.584 -0.045 0.000 1.056 694 A CA -0.648 51.347 52.037 -0.070 0.000 0.688 694 A CB 1.540 20.502 19.000 -0.063 0.000 1.282 694 A HN 0.857 nan 8.150 nan 0.000 0.400 695 N N 0.530 119.208 118.700 -0.036 0.000 2.443 695 N HA 0.231 4.970 4.740 -0.002 0.000 0.294 695 N C 0.890 176.396 175.510 -0.008 0.000 1.289 695 N CA -0.624 52.410 53.050 -0.025 0.000 0.966 695 N CB 0.237 38.712 38.487 -0.021 0.000 1.122 695 N HN 0.644 nan 8.380 nan 0.000 0.569 696 N N -0.593 118.106 118.700 -0.001 0.000 2.443 696 N HA -0.073 4.666 4.740 -0.002 0.000 0.184 696 N C -0.351 175.171 175.510 0.020 0.000 1.037 696 N CA 0.824 53.882 53.050 0.013 0.000 0.896 696 N CB -0.148 38.348 38.487 0.015 0.000 0.959 696 N HN 0.523 nan 8.380 nan 0.000 0.442 697 S N -1.913 113.796 115.700 0.015 0.000 2.686 697 S HA 0.209 4.678 4.470 -0.002 0.000 0.223 697 S C -0.276 174.335 174.600 0.019 0.000 0.885 697 S CA -0.746 57.470 58.200 0.027 0.000 1.115 697 S CB 0.540 63.758 63.200 0.030 0.000 1.459 697 S HN 0.010 nan 8.310 nan 0.000 0.444 698 T N 2.074 116.632 114.554 0.007 0.000 4.045 698 T HA 0.353 4.702 4.350 -0.002 0.000 0.399 698 T C -1.999 172.688 174.700 -0.022 0.000 1.270 698 T CA -0.501 61.598 62.100 -0.002 0.000 1.126 698 T CB 1.123 69.987 68.868 -0.007 0.000 1.272 698 T HN 0.470 nan 8.240 nan 0.000 0.472 699 L N 6.299 127.509 121.223 -0.022 0.000 2.307 699 L HA 0.937 5.276 4.340 -0.002 0.000 0.284 699 L C -0.320 176.512 176.870 -0.064 0.000 1.023 699 L CA 0.029 54.840 54.840 -0.047 0.000 0.810 699 L CB 1.075 43.118 42.059 -0.026 0.000 1.231 699 L HN 1.021 nan 8.230 nan 0.000 0.423 700 T N 2.792 117.286 114.554 -0.100 0.000 2.841 700 T HA 0.743 5.092 4.350 -0.002 0.000 0.296 700 T C -0.446 174.144 174.700 -0.183 0.000 1.166 700 T CA -0.739 61.286 62.100 -0.126 0.000 1.007 700 T CB 2.029 70.834 68.868 -0.104 0.000 1.253 700 T HN 0.499 nan 8.240 nan 0.000 0.511 701 I N 0.042 120.473 120.570 -0.232 0.000 2.686 701 I HA 0.762 4.931 4.170 -0.002 0.000 0.295 701 I C 0.325 176.283 176.117 -0.266 0.000 1.114 701 I CA -0.745 60.379 61.300 -0.293 0.000 1.038 701 I CB 2.240 39.934 38.000 -0.510 0.000 1.238 701 I HN 1.165 nan 8.210 nan 0.000 0.420 702 G N 2.263 110.903 108.800 -0.267 0.000 2.488 702 G HA2 0.594 4.553 3.960 -0.002 0.000 0.301 702 G HA3 0.594 4.553 3.960 -0.002 0.000 0.301 702 G C -1.125 173.609 174.900 -0.278 0.000 1.339 702 G CA -0.265 44.614 45.100 -0.369 0.000 0.803 702 G HN 0.612 nan 8.290 nan 0.000 0.482 703 T N -1.871 112.533 114.554 -0.251 0.000 2.938 703 T HA 0.786 5.135 4.350 -0.002 0.000 0.285 703 T C 0.146 174.782 174.700 -0.106 0.000 1.028 703 T CA -0.566 61.474 62.100 -0.100 0.000 1.005 703 T CB 1.634 70.517 68.868 0.026 0.000 1.157 703 T HN 1.508 nan 8.240 nan 0.000 0.550 704 I N -1.190 119.346 120.570 -0.058 0.000 3.108 704 I HA 0.654 4.823 4.170 -0.002 0.000 0.312 704 I C -0.799 175.321 176.117 0.004 0.000 1.095 704 I CA -1.168 60.084 61.300 -0.079 0.000 1.000 704 I CB 1.427 39.387 38.000 -0.066 0.000 1.229 704 I HN 0.570 nan 8.210 nan 0.000 0.454 705 D N 0.245 120.643 120.400 -0.004 0.000 2.380 705 D HA 0.014 4.653 4.640 -0.002 0.000 0.212 705 D C 0.119 176.420 176.300 0.002 0.000 1.021 705 D CA 0.759 54.782 54.000 0.038 0.000 0.884 705 D CB 0.137 40.971 40.800 0.057 0.000 1.001 705 D HN 0.639 nan 8.370 nan 0.000 0.506 706 E N 0.651 120.842 120.200 -0.015 0.000 2.966 706 E HA -0.234 4.115 4.350 -0.002 0.000 0.153 706 E C -0.474 175.998 176.600 -0.214 0.000 1.949 706 E CA 0.414 56.754 56.400 -0.101 0.000 0.672 706 E CB -1.158 28.503 29.700 -0.064 0.000 1.072 706 E HN 0.502 nan 8.360 nan 0.000 0.344 707 I N 1.930 122.386 120.570 -0.189 0.000 2.121 707 I HA -0.103 4.066 4.170 -0.002 0.000 0.315 707 I C -0.508 175.621 176.117 0.021 0.000 2.573 707 I CA -0.297 60.936 61.300 -0.113 0.000 1.083 707 I CB 0.309 38.259 38.000 -0.084 0.000 2.107 707 I HN 0.352 nan 8.210 nan 0.000 0.626 708 Q N 6.637 126.489 119.800 0.087 0.000 2.330 708 Q HA 0.319 4.658 4.340 -0.002 0.000 0.279 708 Q C -0.902 175.130 176.000 0.054 0.000 1.024 708 Q CA 0.453 56.305 55.803 0.082 0.000 0.900 708 Q CB 1.078 29.855 28.738 0.065 0.000 1.221 708 Q HN 0.381 nan 8.270 nan 0.000 0.396 709 K N 1.553 121.995 120.400 0.071 0.000 2.499 709 K HA 0.501 4.820 4.320 -0.002 0.000 0.277 709 K C -1.235 175.378 176.600 0.020 0.000 1.025 709 K CA -0.880 55.404 56.287 -0.004 0.000 0.900 709 K CB 1.361 33.797 32.500 -0.107 0.000 1.494 709 K HN 0.378 nan 8.250 nan 0.000 0.442 710 L N 2.484 123.684 121.223 -0.038 0.000 2.264 710 L HA 0.345 4.684 4.340 -0.002 0.000 0.289 710 L C -0.669 176.152 176.870 -0.082 0.000 1.044 710 L CA -0.576 54.270 54.840 0.009 0.000 0.807 710 L CB 0.504 42.568 42.059 0.009 0.000 1.192 710 L HN 0.479 nan 8.230 nan 0.000 0.425 711 H N 3.597 122.668 119.070 0.002 0.000 2.487 711 H HA 0.535 5.090 4.556 -0.002 0.000 0.333 711 H C -0.449 174.873 175.328 -0.010 0.000 1.114 711 H CA -0.158 55.891 56.048 0.001 0.000 1.310 711 H CB 1.364 31.125 29.762 -0.002 0.000 1.462 711 H HN 0.380 nan 8.280 nan 0.000 0.516 712 I N 2.606 123.215 120.570 0.066 0.000 2.418 712 I HA 0.303 4.472 4.170 -0.002 0.000 0.287 712 I C -0.189 175.923 176.117 -0.009 0.000 1.008 712 I CA -0.825 60.481 61.300 0.011 0.000 1.104 712 I CB 1.328 39.319 38.000 -0.015 0.000 1.264 712 I HN 0.298 nan 8.210 nan 0.000 0.438 713 R N 4.186 124.654 120.500 -0.054 0.000 2.255 713 R HA 0.500 4.839 4.340 -0.002 0.000 0.326 713 R C -0.901 175.295 176.300 -0.174 0.000 0.986 713 R CA -0.289 55.751 56.100 -0.101 0.000 0.847 713 R CB 1.645 31.868 30.300 -0.128 0.000 1.111 713 R HN 0.572 nan 8.270 nan 0.000 0.452 714 T N 2.492 116.956 114.554 -0.150 0.000 2.902 714 T HA 0.456 4.805 4.350 -0.002 0.000 0.283 714 T C -0.400 174.173 174.700 -0.212 0.000 1.009 714 T CA -0.467 61.528 62.100 -0.176 0.000 1.051 714 T CB 1.776 70.569 68.868 -0.124 0.000 0.999 714 T HN 0.242 nan 8.240 nan 0.000 0.474 715 V N 4.595 124.361 119.914 -0.247 0.000 2.439 715 V HA 0.298 4.417 4.120 -0.002 0.000 0.277 715 V C -2.536 173.424 176.094 -0.223 0.000 1.008 715 V CA -1.929 60.231 62.300 -0.232 0.000 0.846 715 V CB 1.157 32.788 31.823 -0.321 0.000 1.031 715 V HN 0.678 nan 8.190 nan 0.000 0.441 716 P HA 0.225 nan 4.420 nan 0.000 0.267 716 P C 0.459 177.512 177.300 -0.412 0.000 1.200 716 P CA 0.357 63.178 63.100 -0.464 0.000 0.772 716 P CB 0.850 32.149 31.700 -0.669 0.000 0.855 717 L N 1.164 122.101 121.223 -0.476 0.000 2.948 717 L HA 0.169 4.508 4.340 -0.002 0.000 0.259 717 L C 0.244 177.089 176.870 -0.042 0.000 1.136 717 L CA -0.064 54.672 54.840 -0.174 0.000 0.959 717 L CB -0.056 41.931 42.059 -0.119 0.000 1.370 717 L HN 0.383 nan 8.230 nan 0.000 0.552 718 Y N 0.809 121.099 120.300 -0.017 0.000 4.819 718 Y HA -0.337 4.212 4.550 -0.002 0.000 0.230 718 Y C 0.657 176.563 175.900 0.011 0.000 1.009 718 Y CA 1.090 59.188 58.100 -0.002 0.000 1.971 718 Y CB -2.117 36.341 38.460 -0.003 0.000 1.587 718 Y HN 0.528 nan 8.280 nan 0.000 0.587 719 E N -1.926 118.313 120.200 0.065 0.000 2.449 719 E HA 0.682 5.031 4.350 -0.002 0.000 0.278 719 E C -0.950 175.640 176.600 -0.016 0.000 0.992 719 E CA -1.015 55.417 56.400 0.054 0.000 0.807 719 E CB 1.410 31.141 29.700 0.051 0.000 1.350 719 E HN -0.096 nan 8.360 nan 0.000 0.462 720 S N 2.029 117.711 115.700 -0.030 0.000 2.488 720 S HA 0.265 4.734 4.470 -0.002 0.000 0.278 720 S C -2.263 172.260 174.600 -0.129 0.000 1.259 720 S CA -0.661 57.473 58.200 -0.109 0.000 1.061 720 S CB 0.177 63.296 63.200 -0.134 0.000 0.910 720 S HN 0.291 nan 8.310 nan 0.000 0.491 721 P HA 0.505 nan 4.420 nan 0.000 0.292 721 P C 0.271 177.506 177.300 -0.108 0.000 1.283 721 P CA -0.695 62.342 63.100 -0.105 0.000 0.835 721 P CB 1.133 32.778 31.700 -0.092 0.000 1.017 722 R N 0.820 121.265 120.500 -0.092 0.000 2.562 722 R HA 0.326 4.665 4.340 -0.002 0.000 0.191 722 R C 0.211 176.500 176.300 -0.019 0.000 0.835 722 R CA 0.702 56.758 56.100 -0.073 0.000 1.036 722 R CB 0.211 30.441 30.300 -0.117 0.000 1.437 722 R HN 0.385 nan 8.270 nan 0.000 0.654 723 K N 0.577 120.973 120.400 -0.006 0.000 2.482 723 K HA 0.548 4.867 4.320 -0.002 0.000 0.257 723 K C -1.126 175.512 176.600 0.062 0.000 0.969 723 K CA -0.719 55.591 56.287 0.038 0.000 0.842 723 K CB 2.839 35.368 32.500 0.049 0.000 1.359 723 K HN 0.010 nan 8.250 nan 0.000 0.441 724 I N 0.539 121.172 120.570 0.106 0.000 2.785 724 I HA 0.425 4.594 4.170 -0.002 0.000 0.293 724 I C -1.678 174.559 176.117 0.200 0.000 1.446 724 I CA -0.476 60.925 61.300 0.169 0.000 1.028 724 I CB 1.401 39.517 38.000 0.193 0.000 1.349 724 I HN 0.872 nan 8.210 nan 0.000 0.438 725 C N 3.726 123.171 119.300 0.241 0.000 3.239 725 C HA 0.632 5.091 4.460 -0.002 0.000 0.317 725 C C -1.500 173.577 174.990 0.147 0.000 1.310 725 C CA -0.914 58.217 59.018 0.188 0.000 1.371 725 C CB 1.081 28.922 27.740 0.168 0.000 1.714 725 C HN 0.831 nan 8.230 nan 0.000 0.473 726 Y N 1.411 121.586 120.300 -0.208 0.000 2.331 726 Y HA 0.590 5.139 4.550 -0.002 0.000 0.338 726 Y C 0.030 175.756 175.900 -0.290 0.000 0.992 726 Y CA -0.214 57.570 58.100 -0.527 0.000 1.121 726 Y CB 1.233 39.193 38.460 -0.833 0.000 1.184 726 Y HN 0.922 nan 8.280 nan 0.000 0.469 727 Q N 6.160 125.514 119.800 -0.743 0.000 2.431 727 Q HA 0.150 4.489 4.340 -0.002 0.000 0.249 727 Q C 0.783 176.211 176.000 -0.953 0.000 1.025 727 Q CA -0.193 55.181 55.803 -0.714 0.000 0.835 727 Q CB 0.966 29.371 28.738 -0.554 0.000 1.207 727 Q HN 1.027 nan 8.270 nan 0.000 0.490 728 E N 2.311 121.933 120.200 -0.963 0.000 2.023 728 E HA -0.198 4.151 4.350 -0.002 0.000 0.196 728 E C 1.334 177.754 176.600 -0.301 0.000 1.003 728 E CA 1.933 57.942 56.400 -0.652 0.000 0.809 728 E CB 0.103 29.654 29.700 -0.249 0.000 0.755 728 E HN 0.654 nan 8.360 nan 0.000 0.449 729 V N -0.868 118.912 119.914 -0.224 0.000 3.398 729 V HA -0.079 4.040 4.120 -0.002 0.000 0.275 729 V C 0.956 177.004 176.094 -0.077 0.000 1.207 729 V CA 1.577 63.802 62.300 -0.124 0.000 1.189 729 V CB -0.220 31.530 31.823 -0.121 0.000 0.838 729 V HN 0.120 nan 8.190 nan 0.000 0.546 730 S N -1.339 114.311 115.700 -0.084 0.000 2.744 730 S HA 0.196 4.665 4.470 -0.002 0.000 0.265 730 S C 0.328 174.966 174.600 0.063 0.000 1.065 730 S CA -0.073 58.158 58.200 0.053 0.000 1.191 730 S CB 0.291 63.598 63.200 0.178 0.000 1.150 730 S HN 0.580 nan 8.310 nan 0.000 0.646 731 Q N 0.518 120.298 119.800 -0.033 0.000 2.463 731 Q HA -0.181 4.158 4.340 -0.002 0.000 0.299 731 Q C -0.041 175.997 176.000 0.064 0.000 1.353 731 Q CA 1.038 56.857 55.803 0.027 0.000 0.828 731 Q CB -2.565 26.227 28.738 0.091 0.000 1.157 731 Q HN 0.868 nan 8.270 nan 0.000 0.436 732 C N -3.794 115.532 119.300 0.045 0.000 3.320 732 C HA 0.858 5.317 4.460 -0.002 0.000 0.335 732 C C -0.762 174.387 174.990 0.265 0.000 1.430 732 C CA -1.219 57.921 59.018 0.204 0.000 1.271 732 C CB 1.598 29.394 27.740 0.093 0.000 1.609 732 C HN 0.141 nan 8.230 nan 0.000 0.457 733 F N 0.583 120.602 119.950 0.116 0.000 2.556 733 F HA 0.770 5.296 4.527 -0.002 0.000 0.327 733 F C 0.884 176.682 175.800 -0.002 0.000 1.059 733 F CA 0.079 58.184 58.000 0.175 0.000 0.953 733 F CB 2.025 41.133 39.000 0.181 0.000 1.227 733 F HN 1.089 nan 8.300 nan 0.000 0.478 734 G N 0.806 109.726 108.800 0.200 0.000 2.478 734 G HA2 0.601 4.560 3.960 -0.002 0.000 0.317 734 G HA3 0.601 4.560 3.960 -0.002 0.000 0.317 734 G C -1.972 172.931 174.900 0.006 0.000 1.259 734 G CA -0.645 44.349 45.100 -0.177 0.000 0.933 734 G HN 0.473 nan 8.290 nan 0.000 0.478 735 V N 3.500 123.375 119.914 -0.066 0.000 2.577 735 V HA 0.382 4.501 4.120 -0.002 0.000 0.303 735 V C -0.125 175.943 176.094 -0.043 0.000 1.042 735 V CA -0.695 61.597 62.300 -0.013 0.000 0.872 735 V CB 1.818 33.641 31.823 -0.001 0.000 0.998 735 V HN 0.647 nan 8.190 nan 0.000 0.423 736 L N 4.863 126.071 121.223 -0.025 0.000 2.265 736 L HA 0.596 4.935 4.340 -0.002 0.000 0.288 736 L C 0.399 177.213 176.870 -0.093 0.000 1.058 736 L CA 0.109 54.927 54.840 -0.036 0.000 0.809 736 L CB 1.417 43.455 42.059 -0.034 0.000 1.179 736 L HN 0.827 nan 8.230 nan 0.000 0.429 737 S N 1.528 117.168 115.700 -0.099 0.000 2.600 737 S HA 0.706 5.175 4.470 -0.002 0.000 0.300 737 S C -0.547 173.918 174.600 -0.226 0.000 1.087 737 S CA -0.789 57.326 58.200 -0.141 0.000 0.965 737 S CB 2.268 65.424 63.200 -0.074 0.000 1.089 737 S HN 0.464 nan 8.310 nan 0.000 0.496 738 S N 0.551 116.101 115.700 -0.249 0.000 2.614 738 S HA 0.666 5.135 4.470 -0.002 0.000 0.288 738 S C -0.790 173.778 174.600 -0.053 0.000 1.137 738 S CA -0.948 57.099 58.200 -0.255 0.000 0.992 738 S CB 0.742 63.605 63.200 -0.561 0.000 1.026 738 S HN 0.978 nan 8.310 nan 0.000 0.486 739 R N 2.607 123.123 120.500 0.027 0.000 2.803 739 R HA 0.787 5.126 4.340 -0.002 0.000 0.276 739 R C -1.312 175.025 176.300 0.062 0.000 0.978 739 R CA -0.908 55.223 56.100 0.052 0.000 0.939 739 R CB 0.648 30.975 30.300 0.046 0.000 1.179 739 R HN 0.404 nan 8.270 nan 0.000 0.472 740 I N 0.852 121.455 120.570 0.056 0.000 2.488 740 I HA 0.334 4.503 4.170 -0.002 0.000 0.299 740 I C -0.065 176.066 176.117 0.024 0.000 0.984 740 I CA -0.292 61.031 61.300 0.038 0.000 1.250 740 I CB 1.566 39.570 38.000 0.007 0.000 1.389 740 I HN 0.604 nan 8.210 nan 0.000 0.488 741 E N 3.561 123.774 120.200 0.022 0.000 2.308 741 E HA 0.505 4.854 4.350 -0.002 0.000 0.275 741 E C -1.319 175.290 176.600 0.015 0.000 0.890 741 E CA -0.908 55.501 56.400 0.014 0.000 0.754 741 E CB 2.814 32.523 29.700 0.015 0.000 1.207 741 E HN 0.423 nan 8.360 nan 0.000 0.426 742 V N -0.224 119.694 119.914 0.008 0.000 2.785 742 V HA 0.323 4.442 4.120 -0.002 0.000 0.300 742 V C 0.113 176.216 176.094 0.014 0.000 1.062 742 V CA -0.858 61.451 62.300 0.014 0.000 1.029 742 V CB 1.081 32.910 31.823 0.009 0.000 1.024 742 V HN 0.628 nan 8.190 nan 0.000 0.477 743 Q N 1.719 121.540 119.800 0.034 0.000 2.311 743 Q HA 0.165 4.504 4.340 -0.002 0.000 0.272 743 Q C -0.494 175.491 176.000 -0.025 0.000 1.012 743 Q CA 0.102 55.921 55.803 0.028 0.000 0.891 743 Q CB 0.792 29.602 28.738 0.120 0.000 1.201 743 Q HN 0.924 nan 8.270 nan 0.000 0.391 744 D N 0.528 120.858 120.400 -0.117 0.000 2.339 744 D HA 0.018 4.657 4.640 -0.002 0.000 0.245 744 D C 0.882 176.935 176.300 -0.412 0.000 1.115 744 D CA -0.025 53.860 54.000 -0.191 0.000 0.917 744 D CB 1.110 41.807 40.800 -0.172 0.000 1.192 744 D HN 0.554 nan 8.370 nan 0.000 0.428 745 T N -1.157 113.205 114.554 -0.320 0.000 3.043 745 T HA 0.011 4.360 4.350 -0.002 0.000 0.263 745 T C 1.017 175.327 174.700 -0.651 0.000 1.094 745 T CA 0.372 62.203 62.100 -0.448 0.000 1.127 745 T CB -0.029 68.796 68.868 -0.073 0.000 0.905 745 T HN 0.228 nan 8.240 nan 0.000 0.490 746 S N -0.275 115.189 115.700 -0.393 0.000 2.235 746 S HA 0.605 5.074 4.470 -0.002 0.000 0.152 746 S C 0.759 175.241 174.600 -0.196 0.000 1.649 746 S CA 0.123 58.167 58.200 -0.259 0.000 1.277 746 S CB 0.004 63.134 63.200 -0.116 0.000 1.299 746 S HN 0.915 nan 8.310 nan 0.000 0.388 747 G N 1.156 109.819 108.800 -0.230 0.000 2.617 747 G HA2 -0.019 3.940 3.960 -0.002 0.000 0.197 747 G HA3 -0.019 3.940 3.960 -0.002 0.000 0.197 747 G C 0.834 175.663 174.900 -0.118 0.000 1.017 747 G CA -0.094 44.933 45.100 -0.123 0.000 0.713 747 G HN 1.724 nan 8.290 nan 0.000 0.481 748 G N 1.474 110.170 108.800 -0.172 0.000 2.866 748 G HA2 0.359 4.318 3.960 -0.002 0.000 0.339 748 G HA3 0.359 4.318 3.960 -0.002 0.000 0.339 748 G C 0.312 175.166 174.900 -0.076 0.000 0.181 748 G CA 1.731 46.746 45.100 -0.143 0.000 1.226 748 G HN 1.807 nan 8.290 nan 0.000 0.395 749 T N -0.840 113.683 114.554 -0.052 0.000 3.097 749 T HA 0.654 5.003 4.350 -0.002 0.000 0.332 749 T C -0.217 174.463 174.700 -0.034 0.000 1.269 749 T CA -0.569 61.516 62.100 -0.025 0.000 1.076 749 T CB 2.407 71.266 68.868 -0.014 0.000 1.209 749 T HN 0.459 nan 8.240 nan 0.000 0.474 750 T N 1.132 115.673 114.554 -0.023 0.000 4.734 750 T HA 0.541 4.890 4.350 -0.002 0.000 0.261 750 T C 0.573 175.265 174.700 -0.013 0.000 0.927 750 T CA -0.055 62.031 62.100 -0.023 0.000 1.109 750 T CB -0.247 68.608 68.868 -0.021 0.000 0.866 750 T HN 1.190 nan 8.240 nan 0.000 0.473 751 A N 0.617 123.431 122.820 -0.010 0.000 2.671 751 A HA 0.174 4.493 4.320 -0.002 0.000 0.227 751 A C 1.306 178.886 177.584 -0.007 0.000 1.122 751 A CA 0.649 52.683 52.037 -0.005 0.000 0.846 751 A CB 0.148 19.144 19.000 -0.007 0.000 1.001 751 A HN 0.670 nan 8.150 nan 0.000 0.506 752 L N 0.176 121.397 121.223 -0.004 0.000 2.269 752 L HA 0.217 4.556 4.340 -0.002 0.000 0.200 752 L C 1.370 178.234 176.870 -0.011 0.000 1.069 752 L CA 1.079 55.914 54.840 -0.008 0.000 0.804 752 L CB -0.256 41.798 42.059 -0.008 0.000 0.987 752 L HN 0.944 nan 8.230 nan 0.000 0.468 753 R N -0.769 119.725 120.500 -0.010 0.000 2.752 753 R HA 0.550 4.889 4.340 -0.002 0.000 0.271 753 R C -2.966 173.313 176.300 -0.034 0.000 1.026 753 R CA -1.691 54.392 56.100 -0.028 0.000 0.901 753 R CB 0.229 30.513 30.300 -0.026 0.000 1.243 753 R HN -0.306 nan 8.270 nan 0.000 0.463 754 P HA 0.306 nan 4.420 nan 0.000 0.275 754 P C -1.105 176.157 177.300 -0.064 0.000 1.228 754 P CA -0.279 62.774 63.100 -0.078 0.000 0.786 754 P CB 1.226 32.852 31.700 -0.123 0.000 0.927 755 S N 0.117 115.819 115.700 0.003 0.000 2.651 755 S HA 0.539 5.008 4.470 -0.002 0.000 0.279 755 S C 0.935 175.589 174.600 0.091 0.000 1.148 755 S CA -0.206 58.050 58.200 0.094 0.000 0.837 755 S CB 1.459 64.716 63.200 0.095 0.000 1.138 755 S HN 0.402 nan 8.310 nan 0.000 0.478 756 A N 1.438 124.338 122.820 0.133 0.000 1.986 756 A HA -0.125 4.194 4.320 -0.002 0.000 0.220 756 A C 2.086 179.699 177.584 0.048 0.000 1.171 756 A CA 2.325 54.415 52.037 0.089 0.000 0.640 756 A CB -1.216 17.825 19.000 0.069 0.000 0.811 756 A HN 1.029 nan 8.150 nan 0.000 0.451 757 S N -0.847 114.876 115.700 0.037 0.000 2.453 757 S HA -0.054 4.415 4.470 -0.002 0.000 0.231 757 S C 1.193 175.804 174.600 0.018 0.000 1.005 757 S CA 1.393 59.603 58.200 0.017 0.000 0.949 757 S CB -0.735 62.472 63.200 0.012 0.000 0.774 757 S HN 0.832 nan 8.310 nan 0.000 0.510 758 T N -1.660 112.907 114.554 0.022 0.000 3.355 758 T HA 0.498 4.847 4.350 -0.002 0.000 0.276 758 T C 0.104 174.811 174.700 0.012 0.000 1.003 758 T CA -0.650 61.458 62.100 0.014 0.000 0.943 758 T CB 0.072 68.943 68.868 0.006 0.000 1.158 758 T HN 0.375 nan 8.240 nan 0.000 0.513 759 Q N 0.145 119.958 119.800 0.022 0.000 1.936 759 Q HA 0.426 4.765 4.340 -0.002 0.000 0.196 759 Q C 0.149 176.168 176.000 0.032 0.000 0.792 759 Q CA -0.420 55.395 55.803 0.020 0.000 0.972 759 Q CB 1.292 30.041 28.738 0.017 0.000 1.235 759 Q HN 0.630 nan 8.270 nan 0.000 0.419 760 A N 0.548 123.391 122.820 0.040 0.000 2.322 760 A HA 0.424 4.743 4.320 -0.002 0.000 0.269 760 A C 1.067 178.675 177.584 0.040 0.000 1.094 760 A CA -0.374 51.693 52.037 0.051 0.000 0.807 760 A CB 0.440 19.485 19.000 0.074 0.000 1.047 760 A HN 0.323 nan 8.150 nan 0.000 0.487 761 L N 1.233 122.479 121.223 0.037 0.000 1.924 761 L HA -0.134 4.205 4.340 -0.002 0.000 0.222 761 L C 1.748 178.609 176.870 -0.015 0.000 1.081 761 L CA 1.895 56.744 54.840 0.015 0.000 0.780 761 L CB -0.960 41.111 42.059 0.020 0.000 0.891 761 L HN 0.881 nan 8.230 nan 0.000 0.434 762 S N -1.045 114.618 115.700 -0.062 0.000 2.610 762 S HA 0.499 4.968 4.470 -0.002 0.000 0.273 762 S C -0.269 174.262 174.600 -0.115 0.000 1.274 762 S CA -0.695 57.379 58.200 -0.210 0.000 1.023 762 S CB 1.946 64.861 63.200 -0.475 0.000 0.962 762 S HN 0.230 nan 8.310 nan 0.000 0.523 763 S N 0.722 116.387 115.700 -0.058 0.000 2.533 763 S HA 0.775 5.244 4.470 -0.002 0.000 0.271 763 S C -0.864 173.894 174.600 0.263 0.000 1.143 763 S CA -0.782 57.548 58.200 0.217 0.000 0.891 763 S CB 1.864 65.125 63.200 0.102 0.000 1.105 763 S HN 1.167 nan 8.310 nan 0.000 0.468 764 S N 0.586 116.494 115.700 0.348 0.000 2.685 764 S HA 0.945 5.414 4.470 -0.002 0.000 0.282 764 S C -0.739 173.866 174.600 0.008 0.000 1.159 764 S CA -0.728 57.614 58.200 0.235 0.000 0.833 764 S CB 1.226 64.675 63.200 0.415 0.000 1.151 764 S HN 1.393 nan 8.310 nan 0.000 0.485 765 V N -2.169 117.747 119.914 0.003 0.000 3.181 765 V HA 0.818 4.937 4.120 -0.002 0.000 0.308 765 V C -0.494 175.602 176.094 0.003 0.000 1.214 765 V CA -0.889 61.313 62.300 -0.165 0.000 1.053 765 V CB 1.373 33.157 31.823 -0.066 0.000 1.069 765 V HN 0.930 nan 8.190 nan 0.000 0.441 766 S N 2.020 117.700 115.700 -0.033 0.000 2.481 766 S HA 0.398 4.867 4.470 -0.002 0.000 0.276 766 S C 0.648 175.334 174.600 0.143 0.000 1.247 766 S CA 0.239 58.548 58.200 0.181 0.000 1.053 766 S CB 0.760 64.089 63.200 0.215 0.000 0.925 766 S HN 1.347 nan 8.310 nan 0.000 0.491 767 S N 1.955 117.744 115.700 0.148 0.000 2.560 767 S HA 0.343 4.812 4.470 -0.002 0.000 0.227 767 S C 0.093 174.750 174.600 0.096 0.000 1.280 767 S CA -0.685 57.579 58.200 0.105 0.000 1.260 767 S CB 0.260 63.514 63.200 0.090 0.000 1.002 767 S HN 0.445 nan 8.310 nan 0.000 0.509 768 S N 1.583 117.352 115.700 0.115 0.000 2.690 768 S HA 0.686 5.155 4.470 -0.002 0.000 0.291 768 S C -0.412 174.234 174.600 0.077 0.000 1.138 768 S CA -0.689 57.566 58.200 0.092 0.000 1.013 768 S CB 0.647 63.923 63.200 0.127 0.000 1.053 768 S HN 0.623 nan 8.310 nan 0.000 0.539 769 K N 3.836 124.249 120.400 0.022 0.000 3.262 769 K HA 0.267 4.586 4.320 -0.002 0.000 0.166 769 K C -0.663 175.883 176.600 -0.090 0.000 1.091 769 K CA -0.081 56.211 56.287 0.007 0.000 0.798 769 K CB -0.957 31.551 32.500 0.014 0.000 0.953 769 K HN 0.560 nan 8.250 nan 0.000 0.588 770 L N 0.162 121.240 121.223 -0.241 0.000 2.590 770 L HA 0.410 4.749 4.340 -0.002 0.000 0.227 770 L C -0.447 175.973 176.870 -0.750 0.000 1.099 770 L CA 0.104 54.605 54.840 -0.564 0.000 0.872 770 L CB 0.191 41.731 42.059 -0.865 0.000 1.088 770 L HN 0.141 nan 8.230 nan 0.000 0.479 771 F N -0.952 119.037 119.950 0.065 0.000 2.430 771 F HA 0.265 4.791 4.527 -0.002 0.000 0.362 771 F C 0.646 176.478 175.800 0.055 0.000 1.103 771 F CA -0.497 57.543 58.000 0.067 0.000 1.045 771 F CB 1.299 40.357 39.000 0.096 0.000 1.276 771 F HN -0.268 nan 8.300 nan 0.000 0.444 772 S N 1.455 117.246 115.700 0.152 0.000 2.945 772 S HA 0.178 4.647 4.470 -0.002 0.000 0.227 772 S C 0.365 175.018 174.600 0.088 0.000 1.353 772 S CA -0.552 57.707 58.200 0.098 0.000 1.236 772 S CB -0.406 62.826 63.200 0.052 0.000 1.069 772 S HN 0.613 nan 8.310 nan 0.000 0.509 781 S N 0.242 115.786 115.700 -0.261 0.000 3.608 781 S HA 0.420 4.889 4.470 -0.002 0.000 0.234 781 S C 0.226 174.870 174.600 0.074 0.000 1.077 781 S CA -0.337 57.805 58.200 -0.096 0.000 0.827 781 S CB -0.583 62.563 63.200 -0.090 0.000 0.964 781 S HN 0.424 nan 8.310 nan 0.000 0.547 782 F N 2.944 122.902 119.950 0.015 0.000 2.158 782 F HA 0.195 4.721 4.527 -0.002 0.000 0.314 782 F C 1.475 177.282 175.800 0.011 0.000 1.112 782 F CA 0.377 58.385 58.000 0.013 0.000 0.798 782 F CB -0.736 38.271 39.000 0.012 0.000 0.789 782 F HN 0.652 nan 8.300 nan 0.000 0.508 783 G N 0.984 109.896 108.800 0.186 0.000 4.569 783 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.221 783 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.221 783 G C -0.311 174.631 174.900 0.071 0.000 0.778 783 G CA -0.642 44.520 45.100 0.103 0.000 1.115 783 G HN 0.335 nan 8.290 nan 0.000 0.774 784 E N 0.640 120.888 120.200 0.080 0.000 2.285 784 E HA 0.554 4.903 4.350 -0.002 0.000 0.254 784 E C -0.340 176.290 176.600 0.050 0.000 1.011 784 E CA -0.552 55.883 56.400 0.059 0.000 0.873 784 E CB 1.256 30.996 29.700 0.067 0.000 1.229 784 E HN 0.417 nan 8.360 nan 0.000 0.422 785 E N 0.298 120.523 120.200 0.041 0.000 2.202 785 E HA 0.497 4.846 4.350 -0.002 0.000 0.272 785 E C -0.679 175.953 176.600 0.053 0.000 0.951 785 E CA -0.943 55.478 56.400 0.035 0.000 0.813 785 E CB 2.193 31.904 29.700 0.018 0.000 1.151 785 E HN 0.252 nan 8.360 nan 0.000 0.398 786 V N -0.935 119.010 119.914 0.052 0.000 2.655 786 V HA 0.362 4.481 4.120 -0.002 0.000 0.301 786 V C -0.514 175.618 176.094 0.062 0.000 1.082 786 V CA -1.032 61.308 62.300 0.067 0.000 0.899 786 V CB 1.610 33.468 31.823 0.059 0.000 1.014 786 V HN 0.603 nan 8.190 nan 0.000 0.429 787 E N 2.628 122.874 120.200 0.077 0.000 2.392 787 E HA 0.520 4.869 4.350 -0.002 0.000 0.264 787 E C -0.937 175.664 176.600 0.002 0.000 1.024 787 E CA -0.284 56.136 56.400 0.033 0.000 0.903 787 E CB 2.035 31.693 29.700 -0.071 0.000 0.963 787 E HN 0.672 nan 8.360 nan 0.000 0.432 788 V N 3.800 123.766 119.914 0.086 0.000 2.482 788 V HA 0.204 4.323 4.120 -0.002 0.000 0.295 788 V C -0.544 175.694 176.094 0.241 0.000 1.026 788 V CA -0.660 61.693 62.300 0.089 0.000 0.856 788 V CB 1.221 33.081 31.823 0.062 0.000 1.001 788 V HN 0.659 nan 8.190 nan 0.000 0.424 789 H N 4.233 123.298 119.070 -0.009 0.000 2.544 789 H HA 0.700 5.254 4.556 -0.002 0.000 0.342 789 H C -0.427 175.045 175.328 0.239 0.000 1.185 789 H CA -0.846 55.223 56.048 0.036 0.000 1.264 789 H CB 2.006 31.726 29.762 -0.070 0.000 1.607 789 H HN 0.806 nan 8.280 nan 0.000 0.550 790 N N 0.538 119.465 118.700 0.379 0.000 3.127 790 N HA 0.154 4.893 4.740 -0.002 0.000 0.239 790 N C -2.003 173.634 175.510 0.211 0.000 1.407 790 N CA -0.849 52.373 53.050 0.287 0.000 0.891 790 N CB 1.806 40.282 38.487 -0.017 0.000 1.447 790 N HN 0.186 nan 8.380 nan 0.000 0.507 791 L N 1.094 122.350 121.223 0.056 0.000 2.282 791 L HA 0.560 4.899 4.340 -0.002 0.000 0.288 791 L C -1.250 175.485 176.870 -0.225 0.000 1.033 791 L CA -0.387 54.401 54.840 -0.086 0.000 0.807 791 L CB 0.809 42.715 42.059 -0.256 0.000 1.209 791 L HN 0.519 nan 8.230 nan 0.000 0.423 792 L N 5.853 126.962 121.223 -0.189 0.000 2.325 792 L HA 0.540 4.879 4.340 -0.002 0.000 0.278 792 L C -0.502 176.217 176.870 -0.253 0.000 1.023 792 L CA -0.705 54.028 54.840 -0.178 0.000 0.811 792 L CB 1.793 43.800 42.059 -0.087 0.000 1.249 792 L HN 0.461 nan 8.230 nan 0.000 0.431 793 I N 4.417 124.834 120.570 -0.256 0.000 2.355 793 I HA 0.360 4.529 4.170 -0.002 0.000 0.288 793 I C -0.395 175.640 176.117 -0.137 0.000 0.999 793 I CA -0.381 60.719 61.300 -0.332 0.000 1.163 793 I CB 1.825 39.481 38.000 -0.573 0.000 1.316 793 I HN 0.358 nan 8.210 nan 0.000 0.454 794 I N 4.534 125.078 120.570 -0.043 0.000 2.441 794 I HA 0.248 4.417 4.170 -0.002 0.000 0.295 794 I C 0.101 176.233 176.117 0.025 0.000 0.994 794 I CA -0.647 60.668 61.300 0.025 0.000 1.144 794 I CB 1.635 39.681 38.000 0.077 0.000 1.314 794 I HN 0.520 nan 8.210 nan 0.000 0.445 795 D N 4.081 124.467 120.400 -0.025 0.000 2.351 795 D HA 0.120 4.759 4.640 -0.002 0.000 0.251 795 D C 1.393 177.479 176.300 -0.357 0.000 1.137 795 D CA -0.165 53.790 54.000 -0.074 0.000 0.879 795 D CB 1.098 41.889 40.800 -0.014 0.000 1.181 795 D HN 0.571 nan 8.370 nan 0.000 0.448 796 Q N 3.191 122.789 119.800 -0.337 0.000 2.084 796 Q HA -0.257 4.082 4.340 -0.002 0.000 0.202 796 Q C 1.059 176.433 176.000 -1.043 0.000 0.978 796 Q CA 1.177 56.578 55.803 -0.671 0.000 0.844 796 Q CB -0.287 28.326 28.738 -0.207 0.000 0.898 796 Q HN 0.645 nan 8.270 nan 0.000 0.426 797 H N 1.202 120.054 119.070 -0.363 0.000 2.284 797 H HA -0.046 4.509 4.556 -0.002 0.000 0.304 797 H C 2.621 177.833 175.328 -0.193 0.000 1.069 797 H CA 2.167 58.083 56.048 -0.221 0.000 1.327 797 H CB -0.667 29.051 29.762 -0.074 0.000 1.387 797 H HN 0.614 nan 8.280 nan 0.000 0.498 798 T N -1.886 112.665 114.554 -0.004 0.000 2.896 798 T HA -0.103 4.246 4.350 -0.002 0.000 0.263 798 T C 1.008 175.782 174.700 0.124 0.000 1.050 798 T CA 0.790 62.927 62.100 0.062 0.000 1.140 798 T CB -0.553 68.356 68.868 0.069 0.000 0.877 798 T HN 0.385 nan 8.240 nan 0.000 0.457 799 F N 1.717 121.677 119.950 0.017 0.000 2.988 799 F HA -0.187 4.339 4.527 -0.002 0.000 0.287 799 F C 0.361 176.152 175.800 -0.015 0.000 0.781 799 F CA 0.553 58.532 58.000 -0.036 0.000 1.221 799 F CB -1.910 37.047 39.000 -0.070 0.000 1.392 799 F HN 0.590 nan 8.300 nan 0.000 0.425 800 E N -0.017 120.259 120.200 0.127 0.000 2.249 800 E HA 0.540 4.889 4.350 -0.002 0.000 0.280 800 E C -0.121 176.524 176.600 0.075 0.000 1.016 800 E CA -0.890 55.570 56.400 0.100 0.000 0.830 800 E CB 1.804 31.554 29.700 0.082 0.000 1.081 800 E HN 0.063 nan 8.360 nan 0.000 0.395 801 V N 5.847 125.802 119.914 0.068 0.000 2.420 801 V HA -0.095 4.024 4.120 -0.002 0.000 0.274 801 V C 1.275 177.402 176.094 0.056 0.000 1.003 801 V CA 0.393 62.723 62.300 0.050 0.000 1.092 801 V CB -0.776 31.075 31.823 0.046 0.000 1.002 801 V HN 0.794 nan 8.190 nan 0.000 0.473 802 L N 3.591 124.847 121.223 0.055 0.000 1.993 802 L HA 0.099 4.438 4.340 -0.002 0.000 0.206 802 L C 1.214 178.164 176.870 0.134 0.000 1.074 802 L CA 1.238 56.133 54.840 0.093 0.000 0.746 802 L CB -0.180 41.956 42.059 0.129 0.000 0.896 802 L HN 0.676 nan 8.230 nan 0.000 0.435 803 H N -1.582 117.484 119.070 -0.007 0.000 2.731 803 H HA 0.609 5.164 4.556 -0.002 0.000 0.368 803 H C -1.272 174.022 175.328 -0.057 0.000 1.168 803 H CA -0.659 55.388 56.048 -0.002 0.000 1.181 803 H CB 2.031 31.821 29.762 0.047 0.000 1.743 803 H HN 0.090 nan 8.280 nan 0.000 0.547 804 A N 3.226 126.185 122.820 0.233 0.000 2.984 804 A HA 0.125 4.444 4.320 -0.002 0.000 0.320 804 A C -1.382 176.088 177.584 -0.190 0.000 1.142 804 A CA -0.527 51.480 52.037 -0.049 0.000 0.772 804 A CB -0.455 18.556 19.000 0.019 0.000 1.195 804 A HN 0.834 nan 8.150 nan 0.000 0.459 805 H N 1.223 119.957 119.070 -0.560 0.000 2.878 805 H HA 0.372 4.927 4.556 -0.002 0.000 0.290 805 H C 0.355 175.393 175.328 -0.484 0.000 1.065 805 H CA 0.807 56.526 56.048 -0.548 0.000 1.477 805 H CB 0.506 29.820 29.762 -0.747 0.000 1.484 805 H HN 0.700 nan 8.280 nan 0.000 0.504 806 Q N 4.110 123.380 119.800 -0.883 0.000 2.260 806 Q HA 0.301 4.640 4.340 -0.002 0.000 0.242 806 Q C -1.045 174.459 176.000 -0.826 0.000 0.932 806 Q CA -0.661 54.779 55.803 -0.605 0.000 0.891 806 Q CB 0.788 29.365 28.738 -0.268 0.000 1.222 806 Q HN 0.612 nan 8.270 nan 0.000 0.453 807 F N 0.908 120.758 119.950 -0.167 0.000 2.497 807 F HA 0.382 4.908 4.527 -0.002 0.000 0.331 807 F C 0.114 175.917 175.800 0.006 0.000 1.060 807 F CA -0.968 57.019 58.000 -0.022 0.000 0.989 807 F CB 0.869 39.913 39.000 0.072 0.000 1.245 807 F HN 0.406 nan 8.300 nan 0.000 0.486 808 L N 1.032 122.427 121.223 0.288 0.000 2.503 808 L HA -0.029 4.310 4.340 -0.002 0.000 0.287 808 L C 0.315 177.252 176.870 0.111 0.000 1.252 808 L CA -0.121 54.830 54.840 0.184 0.000 0.835 808 L CB -0.046 42.152 42.059 0.231 0.000 1.099 808 L HN 0.521 nan 8.230 nan 0.000 0.516 809 Q N 2.692 122.542 119.800 0.084 0.000 2.247 809 Q HA -0.052 4.287 4.340 -0.002 0.000 0.288 809 Q C 0.098 176.089 176.000 -0.015 0.000 1.079 809 Q CA 0.219 56.051 55.803 0.047 0.000 0.932 809 Q CB 0.078 28.857 28.738 0.068 0.000 1.133 809 Q HN 0.548 nan 8.270 nan 0.000 0.377 810 N N 1.283 119.953 118.700 -0.050 0.000 2.829 810 N HA -0.193 4.546 4.740 -0.002 0.000 0.250 810 N C -0.695 174.690 175.510 -0.208 0.000 1.090 810 N CA 0.973 53.922 53.050 -0.169 0.000 0.781 810 N CB -0.778 37.474 38.487 -0.390 0.000 1.124 810 N HN 0.683 nan 8.380 nan 0.000 0.559 811 E N 0.194 120.341 120.200 -0.088 0.000 2.130 811 E HA 0.238 4.587 4.350 -0.002 0.000 0.284 811 E C -0.914 175.630 176.600 -0.093 0.000 1.018 811 E CA -0.344 56.004 56.400 -0.087 0.000 0.817 811 E CB 0.525 30.243 29.700 0.030 0.000 1.078 811 E HN 0.154 nan 8.360 nan 0.000 0.396 812 Y N 2.406 122.463 120.300 -0.404 0.000 2.335 812 Y HA 0.427 4.976 4.550 -0.002 0.000 0.339 812 Y C 0.332 176.148 175.900 -0.139 0.000 0.987 812 Y CA -1.374 56.510 58.100 -0.360 0.000 1.140 812 Y CB 1.658 39.983 38.460 -0.225 0.000 1.173 812 Y HN 0.573 nan 8.280 nan 0.000 0.486 813 A N 5.133 128.030 122.820 0.129 0.000 2.354 813 A HA 0.418 4.737 4.320 -0.002 0.000 0.281 813 A C 0.133 177.711 177.584 -0.010 0.000 1.174 813 A CA -0.234 51.721 52.037 -0.138 0.000 0.828 813 A CB 0.231 19.056 19.000 -0.291 0.000 1.099 813 A HN 1.043 nan 8.150 nan 0.000 0.516 814 L N 1.959 123.162 121.223 -0.033 0.000 2.685 814 L HA 0.161 4.500 4.340 -0.002 0.000 0.235 814 L C 0.768 177.659 176.870 0.035 0.000 1.070 814 L CA 0.434 55.278 54.840 0.007 0.000 0.888 814 L CB 0.124 42.154 42.059 -0.049 0.000 1.203 814 L HN 0.707 nan 8.230 nan 0.000 0.499 815 S N 0.189 115.904 115.700 0.025 0.000 2.634 815 S HA 0.828 5.297 4.470 -0.002 0.000 0.296 815 S C -0.978 173.665 174.600 0.071 0.000 1.104 815 S CA -0.682 57.555 58.200 0.061 0.000 0.920 815 S CB 2.914 66.153 63.200 0.066 0.000 1.111 815 S HN 0.035 nan 8.310 nan 0.000 0.493 816 L N 0.695 121.975 121.223 0.094 0.000 2.592 816 L HA 0.802 5.141 4.340 -0.002 0.000 0.258 816 L C -1.999 174.950 176.870 0.131 0.000 0.926 816 L CA -0.219 54.696 54.840 0.125 0.000 0.885 816 L CB 1.771 43.906 42.059 0.125 0.000 1.380 816 L HN 0.734 nan 8.230 nan 0.000 0.415 817 V N 2.372 122.373 119.914 0.145 0.000 3.012 817 V HA 0.705 4.824 4.120 -0.002 0.000 0.307 817 V C -0.882 175.261 176.094 0.081 0.000 1.166 817 V CA -0.507 61.854 62.300 0.102 0.000 0.974 817 V CB 2.332 34.190 31.823 0.058 0.000 1.040 817 V HN 0.794 nan 8.190 nan 0.000 0.428 818 S N 2.866 118.556 115.700 -0.017 0.000 2.498 818 S HA 0.833 5.302 4.470 -0.002 0.000 0.317 818 S C -0.535 173.963 174.600 -0.170 0.000 1.090 818 S CA -0.013 58.053 58.200 -0.223 0.000 1.089 818 S CB 0.506 63.473 63.200 -0.388 0.000 0.997 818 S HN 1.466 nan 8.310 nan 0.000 0.470 819 C N 2.838 122.044 119.300 -0.156 0.000 3.253 819 C HA 0.683 5.142 4.460 -0.002 0.000 0.362 819 C C -1.717 173.228 174.990 -0.074 0.000 1.487 819 C CA -1.133 57.821 59.018 -0.107 0.000 1.179 819 C CB 0.571 28.269 27.740 -0.070 0.000 1.660 819 C HN 0.777 nan 8.230 nan 0.000 0.438 820 K N 0.531 120.896 120.400 -0.058 0.000 2.259 820 K HA 0.844 5.163 4.320 -0.002 0.000 0.252 820 K C -1.189 175.380 176.600 -0.052 0.000 0.936 820 K CA -0.359 55.915 56.287 -0.021 0.000 0.810 820 K CB 1.937 34.430 32.500 -0.012 0.000 1.143 820 K HN 0.610 nan 8.250 nan 0.000 0.427 821 L N 0.358 121.533 121.223 -0.080 0.000 2.271 821 L HA 0.460 4.799 4.340 -0.002 0.000 0.265 821 L C 1.313 178.281 176.870 0.162 0.000 1.013 821 L CA -0.642 54.158 54.840 -0.065 0.000 0.820 821 L CB 1.296 43.122 42.059 -0.389 0.000 1.352 821 L HN 0.928 nan 8.230 nan 0.000 0.443 822 G N 0.694 109.623 108.800 0.216 0.000 2.667 822 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.379 822 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.379 822 G C 0.636 175.633 174.900 0.161 0.000 1.236 822 G CA 1.073 46.303 45.100 0.216 0.000 0.946 822 G HN 0.744 nan 8.290 nan 0.000 0.573 823 K N 0.665 121.165 120.400 0.167 0.000 2.358 823 K HA 0.139 4.458 4.320 -0.002 0.000 0.200 823 K C 0.311 176.998 176.600 0.145 0.000 1.030 823 K CA -0.006 56.349 56.287 0.114 0.000 1.097 823 K CB 0.450 32.993 32.500 0.070 0.000 0.862 823 K HN 0.442 nan 8.250 nan 0.000 0.534 824 D N 2.357 122.910 120.400 0.256 0.000 2.412 824 D HA -0.002 4.637 4.640 -0.002 0.000 0.257 824 D C -1.897 174.525 176.300 0.203 0.000 1.217 824 D CA -1.443 52.743 54.000 0.310 0.000 0.897 824 D CB 1.433 42.624 40.800 0.652 0.000 1.132 824 D HN -0.050 nan 8.370 nan 0.000 0.493 825 P HA -0.004 nan 4.420 nan 0.000 0.229 825 P C -0.239 177.062 177.300 0.002 0.000 1.160 825 P CA 0.296 63.426 63.100 0.050 0.000 0.777 825 P CB 0.212 31.929 31.700 0.028 0.000 0.814 826 N N -0.474 118.224 118.700 -0.004 0.000 2.416 826 N HA 0.132 4.871 4.740 -0.002 0.000 0.246 826 N C -0.292 175.050 175.510 -0.279 0.000 1.260 826 N CA 0.466 53.382 53.050 -0.224 0.000 0.897 826 N CB 0.152 38.362 38.487 -0.462 0.000 1.110 826 N HN -0.117 nan 8.380 nan 0.000 0.439 827 T N 1.751 116.071 114.554 -0.390 0.000 2.791 827 T HA 0.329 4.678 4.350 -0.002 0.000 0.288 827 T C -0.967 173.495 174.700 -0.397 0.000 0.999 827 T CA -0.407 61.519 62.100 -0.289 0.000 0.952 827 T CB 0.152 68.870 68.868 -0.251 0.000 0.938 827 T HN 0.253 nan 8.240 nan 0.000 0.444 828 Y N 1.040 121.205 120.300 -0.224 0.000 2.596 828 Y HA 0.701 5.250 4.550 -0.002 0.000 0.326 828 Y C -0.295 175.459 175.900 -0.244 0.000 1.167 828 Y CA -1.805 56.197 58.100 -0.164 0.000 1.246 828 Y CB 0.910 39.283 38.460 -0.145 0.000 1.347 828 Y HN 0.492 nan 8.280 nan 0.000 0.515 829 F N 1.691 121.787 119.950 0.243 0.000 2.427 829 F HA 0.519 5.045 4.527 -0.002 0.000 0.348 829 F C -0.613 175.348 175.800 0.270 0.000 1.125 829 F CA -0.881 57.226 58.000 0.178 0.000 0.989 829 F CB 0.762 39.837 39.000 0.125 0.000 1.165 829 F HN 0.121 nan 8.300 nan 0.000 0.442 830 I N 4.548 125.310 120.570 0.321 0.000 2.378 830 I HA 0.473 4.642 4.170 -0.002 0.000 0.291 830 I C -0.856 175.406 176.117 0.241 0.000 0.992 830 I CA -0.947 60.481 61.300 0.214 0.000 1.154 830 I CB 1.654 39.661 38.000 0.011 0.000 1.315 830 I HN 0.116 nan 8.210 nan 0.000 0.448 831 V N 4.813 124.909 119.914 0.304 0.000 2.448 831 V HA 0.582 4.701 4.120 -0.002 0.000 0.295 831 V C 0.488 176.649 176.094 0.112 0.000 1.025 831 V CA -0.531 61.916 62.300 0.245 0.000 0.859 831 V CB 1.741 33.818 31.823 0.425 0.000 0.988 831 V HN 0.898 nan 8.190 nan 0.000 0.431 832 G N 2.817 111.641 108.800 0.040 0.000 2.319 832 G HA2 0.608 4.567 3.960 -0.002 0.000 0.308 832 G HA3 0.608 4.567 3.960 -0.002 0.000 0.308 832 G C 0.022 174.887 174.900 -0.057 0.000 1.117 832 G CA 0.025 45.123 45.100 -0.002 0.000 0.903 832 G HN 0.789 nan 8.290 nan 0.000 0.436 833 T N -0.990 113.523 114.554 -0.067 0.000 2.841 833 T HA 0.867 5.216 4.350 -0.002 0.000 0.276 833 T C -0.222 174.413 174.700 -0.108 0.000 1.003 833 T CA -0.500 61.529 62.100 -0.118 0.000 0.995 833 T CB 2.166 70.944 68.868 -0.150 0.000 1.260 833 T HN 1.652 nan 8.240 nan 0.000 0.581 834 A N 0.933 123.671 122.820 -0.137 0.000 2.555 834 A HA 0.595 4.914 4.320 -0.002 0.000 0.297 834 A C -0.845 176.569 177.584 -0.282 0.000 1.060 834 A CA -0.913 51.009 52.037 -0.191 0.000 0.710 834 A CB 1.369 20.220 19.000 -0.249 0.000 1.282 834 A HN 0.702 nan 8.150 nan 0.000 0.399 835 M N 2.861 122.252 119.600 -0.349 0.000 2.135 835 M HA 0.290 4.769 4.480 -0.002 0.000 0.345 835 M C -0.376 175.536 176.300 -0.648 0.000 1.340 835 M CA -0.283 54.691 55.300 -0.543 0.000 1.162 835 M CB 0.189 32.447 32.600 -0.570 0.000 1.570 835 M HN 0.372 nan 8.290 nan 0.000 0.454 836 V N 5.794 125.186 119.914 -0.870 0.000 2.407 836 V HA 0.391 4.510 4.120 -0.002 0.000 0.278 836 V C -0.864 174.698 176.094 -0.886 0.000 1.037 836 V CA -0.468 61.337 62.300 -0.826 0.000 0.900 836 V CB 0.791 31.912 31.823 -1.170 0.000 0.983 836 V HN 0.647 nan 8.190 nan 0.000 0.459 837 Y N 4.637 124.811 120.300 -0.211 0.000 2.373 837 Y HA 0.361 4.910 4.550 -0.002 0.000 0.336 837 Y C -1.732 174.115 175.900 -0.089 0.000 0.979 837 Y CA -1.946 56.076 58.100 -0.129 0.000 1.080 837 Y CB 2.008 40.409 38.460 -0.099 0.000 1.190 837 Y HN 0.429 nan 8.280 nan 0.000 0.446 838 P HA -0.233 nan 4.420 nan 0.000 0.218 838 P C 1.020 178.351 177.300 0.051 0.000 1.152 838 P CA 1.596 64.726 63.100 0.050 0.000 0.857 838 P CB 0.481 32.214 31.700 0.054 0.000 0.787 839 E N -0.766 119.471 120.200 0.062 0.000 2.285 839 E HA -0.023 4.326 4.350 -0.002 0.000 0.194 839 E C 0.356 176.977 176.600 0.036 0.000 0.997 839 E CA 0.450 56.873 56.400 0.037 0.000 0.845 839 E CB -0.310 29.400 29.700 0.016 0.000 0.782 839 E HN 0.438 nan 8.360 nan 0.000 0.491 840 E N -0.678 119.556 120.200 0.057 0.000 2.283 840 E HA 0.328 4.677 4.350 -0.002 0.000 0.278 840 E C 0.162 176.786 176.600 0.040 0.000 1.027 840 E CA 0.032 56.462 56.400 0.050 0.000 0.843 840 E CB 1.545 31.294 29.700 0.081 0.000 1.062 840 E HN 0.101 nan 8.360 nan 0.000 0.401 841 A N 3.702 126.545 122.820 0.038 0.000 2.218 841 A HA -0.038 4.281 4.320 -0.002 0.000 0.209 841 A C 0.339 177.951 177.584 0.047 0.000 1.168 841 A CA 0.542 52.603 52.037 0.041 0.000 0.804 841 A CB -0.114 18.910 19.000 0.040 0.000 0.834 841 A HN 0.686 nan 8.150 nan 0.000 0.482 842 E N -0.782 119.445 120.200 0.045 0.000 2.388 842 E HA 0.412 4.761 4.350 -0.002 0.000 0.289 842 E C -3.288 173.334 176.600 0.038 0.000 0.944 842 E CA -2.026 54.406 56.400 0.053 0.000 0.792 842 E CB 0.410 30.153 29.700 0.071 0.000 1.239 842 E HN -0.073 nan 8.360 nan 0.000 0.412 843 P HA -0.028 nan 4.420 nan 0.000 0.265 843 P C -0.424 176.890 177.300 0.023 0.000 1.187 843 P CA -0.049 63.039 63.100 -0.020 0.000 0.766 843 P CB 0.460 32.093 31.700 -0.112 0.000 0.820 844 K N 1.924 122.351 120.400 0.044 0.000 2.413 844 K HA 0.170 4.489 4.320 -0.002 0.000 0.204 844 K C -0.193 176.464 176.600 0.095 0.000 1.041 844 K CA -0.386 55.941 56.287 0.068 0.000 1.082 844 K CB 0.404 32.944 32.500 0.068 0.000 0.871 844 K HN 0.487 nan 8.250 nan 0.000 0.535 845 Q N 0.075 119.919 119.800 0.074 0.000 2.378 845 Q HA 0.595 4.934 4.340 -0.002 0.000 0.262 845 Q C -1.094 174.945 176.000 0.064 0.000 0.978 845 Q CA -1.234 54.660 55.803 0.151 0.000 0.918 845 Q CB 2.092 30.981 28.738 0.253 0.000 1.415 845 Q HN 0.135 nan 8.270 nan 0.000 0.409 846 G N 1.326 110.239 108.800 0.188 0.000 2.749 846 G HA2 0.783 4.742 3.960 -0.002 0.000 0.300 846 G HA3 0.783 4.742 3.960 -0.002 0.000 0.300 846 G C -1.296 173.757 174.900 0.256 0.000 1.352 846 G CA -0.845 44.336 45.100 0.135 0.000 0.789 846 G HN 0.486 nan 8.290 nan 0.000 0.509 847 R N -1.565 119.033 120.500 0.164 0.000 2.846 847 R HA 0.670 5.009 4.340 -0.002 0.000 0.263 847 R C -1.241 175.095 176.300 0.060 0.000 1.080 847 R CA -0.927 55.259 56.100 0.143 0.000 0.961 847 R CB 2.051 32.470 30.300 0.199 0.000 1.231 847 R HN 0.333 nan 8.270 nan 0.000 0.465 848 I N 1.848 122.429 120.570 0.019 0.000 2.787 848 I HA 0.144 4.313 4.170 -0.002 0.000 0.275 848 I C -0.661 175.421 176.117 -0.057 0.000 1.371 848 I CA -0.512 60.767 61.300 -0.036 0.000 0.949 848 I CB 1.766 39.676 38.000 -0.150 0.000 1.407 848 I HN 0.198 nan 8.210 nan 0.000 0.557 849 V N 4.566 124.477 119.914 -0.005 0.000 2.715 849 V HA 0.228 4.347 4.120 -0.002 0.000 0.299 849 V C 0.366 176.260 176.094 -0.333 0.000 1.054 849 V CA -0.366 61.808 62.300 -0.210 0.000 1.077 849 V CB 1.745 33.408 31.823 -0.266 0.000 0.972 849 V HN 0.272 nan 8.190 nan 0.000 0.484 850 V N 5.169 124.798 119.914 -0.475 0.000 2.378 850 V HA 0.512 4.631 4.120 -0.002 0.000 0.288 850 V C -0.511 175.389 176.094 -0.324 0.000 1.016 850 V CA -0.322 61.789 62.300 -0.316 0.000 0.840 850 V CB 1.043 32.655 31.823 -0.353 0.000 0.994 850 V HN 0.645 nan 8.190 nan 0.000 0.431 851 F N 2.354 122.410 119.950 0.176 0.000 2.523 851 F HA 0.687 5.213 4.527 -0.002 0.000 0.329 851 F C 0.315 176.317 175.800 0.338 0.000 1.061 851 F CA -0.723 57.401 58.000 0.207 0.000 0.967 851 F CB 1.399 40.472 39.000 0.122 0.000 1.218 851 F HN 0.247 nan 8.300 nan 0.000 0.480 852 Q N 1.395 121.467 119.800 0.453 0.000 2.356 852 Q HA 0.284 4.623 4.340 -0.002 0.000 0.270 852 Q C -1.938 174.254 176.000 0.320 0.000 1.058 852 Q CA -0.760 55.204 55.803 0.268 0.000 0.802 852 Q CB 2.374 31.197 28.738 0.142 0.000 1.303 852 Q HN 0.790 nan 8.270 nan 0.000 0.444 853 Y N 1.638 122.020 120.300 0.138 0.000 2.520 853 Y HA 0.159 4.708 4.550 -0.002 0.000 0.339 853 Y C 0.023 175.963 175.900 0.067 0.000 1.113 853 Y CA -0.089 58.098 58.100 0.144 0.000 1.255 853 Y CB 0.511 39.118 38.460 0.245 0.000 1.099 853 Y HN 0.582 nan 8.280 nan 0.000 0.628 854 S N -0.285 115.338 115.700 -0.129 0.000 2.523 854 S HA 0.179 4.648 4.470 -0.002 0.000 0.217 854 S C 0.451 174.934 174.600 -0.195 0.000 0.996 854 S CA 0.764 58.887 58.200 -0.128 0.000 0.921 854 S CB 0.560 63.702 63.200 -0.097 0.000 0.829 854 S HN 0.685 nan 8.310 nan 0.000 0.495 855 D N 0.699 120.904 120.400 -0.325 0.000 2.756 855 D HA 0.321 4.960 4.640 -0.002 0.000 0.148 855 D C 1.721 177.808 176.300 -0.355 0.000 1.444 855 D CA 0.663 54.507 54.000 -0.261 0.000 1.556 855 D CB -0.382 40.327 40.800 -0.152 0.000 1.646 855 D HN 0.170 nan 8.370 nan 0.000 0.205 856 G N -0.290 108.331 108.800 -0.299 0.000 2.727 856 G HA2 0.239 4.198 3.960 -0.002 0.000 0.203 856 G HA3 0.239 4.198 3.960 -0.002 0.000 0.203 856 G C 0.513 175.281 174.900 -0.221 0.000 1.117 856 G CA 0.540 45.503 45.100 -0.228 0.000 0.817 856 G HN 0.493 nan 8.290 nan 0.000 0.553 857 K N -1.034 119.268 120.400 -0.165 0.000 2.126 857 K HA 0.686 5.005 4.320 -0.002 0.000 0.245 857 K C -1.205 175.563 176.600 0.280 0.000 1.068 857 K CA -0.956 55.381 56.287 0.083 0.000 0.877 857 K CB 0.825 33.324 32.500 -0.001 0.000 1.406 857 K HN -0.047 nan 8.250 nan 0.000 0.490 858 L N 2.000 123.540 121.223 0.527 0.000 2.257 858 L HA 0.288 4.627 4.340 -0.002 0.000 0.290 858 L C -0.450 176.594 176.870 0.291 0.000 1.044 858 L CA -0.485 54.600 54.840 0.407 0.000 0.810 858 L CB 1.401 43.574 42.059 0.189 0.000 1.193 858 L HN 0.617 nan 8.230 nan 0.000 0.425 859 Q N 2.539 122.488 119.800 0.247 0.000 2.325 859 Q HA 0.295 4.634 4.340 -0.002 0.000 0.262 859 Q C -0.877 175.235 176.000 0.185 0.000 0.968 859 Q CA -0.595 55.317 55.803 0.181 0.000 0.877 859 Q CB 1.634 30.452 28.738 0.133 0.000 1.253 859 Q HN 0.509 nan 8.270 nan 0.000 0.448 860 T N 3.448 118.066 114.554 0.107 0.000 2.794 860 T HA 0.177 4.526 4.350 -0.002 0.000 0.296 860 T C 0.709 175.401 174.700 -0.014 0.000 0.949 860 T CA -0.453 61.620 62.100 -0.045 0.000 1.101 860 T CB 1.119 69.919 68.868 -0.112 0.000 0.905 860 T HN 0.436 nan 8.240 nan 0.000 0.516 861 V N 2.468 122.365 119.914 -0.029 0.000 3.324 861 V HA 0.503 4.622 4.120 -0.002 0.000 0.192 861 V C 1.316 177.418 176.094 0.013 0.000 1.223 861 V CA 0.088 62.429 62.300 0.068 0.000 1.400 861 V CB -0.587 31.362 31.823 0.210 0.000 1.277 861 V HN 0.952 nan 8.190 nan 0.000 0.486 862 A N -0.724 122.122 122.820 0.043 0.000 2.246 862 A HA 0.477 4.796 4.320 -0.002 0.000 0.291 862 A C 0.723 178.269 177.584 -0.063 0.000 1.103 862 A CA 0.029 52.082 52.037 0.027 0.000 0.844 862 A CB 0.636 19.729 19.000 0.155 0.000 1.136 862 A HN 0.656 nan 8.150 nan 0.000 0.500 863 E N -1.038 119.136 120.200 -0.043 0.000 3.100 863 E HA 0.205 4.554 4.350 -0.002 0.000 0.191 863 E C -0.882 175.694 176.600 -0.041 0.000 1.097 863 E CA -0.056 56.312 56.400 -0.053 0.000 1.339 863 E CB 0.314 29.994 29.700 -0.033 0.000 1.330 863 E HN 0.525 nan 8.360 nan 0.000 0.511 864 K N 2.700 123.087 120.400 -0.023 0.000 6.536 864 K HA -0.178 4.141 4.320 -0.002 0.000 0.703 864 K C -0.850 175.758 176.600 0.013 0.000 1.892 864 K CA 0.444 56.726 56.287 -0.008 0.000 1.651 864 K CB -0.732 31.725 32.500 -0.071 0.000 1.852 864 K HN 0.233 nan 8.250 nan 0.000 0.324 865 E N 1.872 122.088 120.200 0.028 0.000 2.374 865 E HA 0.556 4.905 4.350 -0.002 0.000 0.260 865 E C -0.597 176.070 176.600 0.111 0.000 1.101 865 E CA -0.470 55.956 56.400 0.044 0.000 0.907 865 E CB 0.719 30.409 29.700 -0.016 0.000 1.014 865 E HN 0.327 nan 8.360 nan 0.000 0.427 866 V N 2.017 122.019 119.914 0.146 0.000 3.147 866 V HA 0.263 4.382 4.120 -0.002 0.000 0.306 866 V C -0.805 175.388 176.094 0.166 0.000 1.209 866 V CA -1.087 61.311 62.300 0.163 0.000 1.023 866 V CB 2.062 33.982 31.823 0.162 0.000 1.059 866 V HN 0.670 nan 8.190 nan 0.000 0.435 867 K N 1.877 122.364 120.400 0.145 0.000 3.000 867 K HA 0.655 4.974 4.320 -0.002 0.000 0.239 867 K C 0.196 176.862 176.600 0.112 0.000 1.269 867 K CA 0.116 56.483 56.287 0.133 0.000 1.220 867 K CB 0.843 33.413 32.500 0.116 0.000 1.645 867 K HN 1.058 nan 8.250 nan 0.000 0.423 868 G N -0.084 108.774 108.800 0.096 0.000 2.320 868 G HA2 0.363 4.322 3.960 -0.002 0.000 0.297 868 G HA3 0.363 4.322 3.960 -0.002 0.000 0.297 868 G C -1.768 173.133 174.900 0.002 0.000 1.344 868 G CA -0.871 44.266 45.100 0.062 0.000 0.851 868 G HN 0.215 nan 8.290 nan 0.000 0.567 869 A N -0.450 122.322 122.820 -0.080 0.000 2.366 869 A HA 0.610 4.929 4.320 -0.002 0.000 0.272 869 A C 0.360 177.787 177.584 -0.262 0.000 1.135 869 A CA -0.311 51.561 52.037 -0.275 0.000 0.804 869 A CB 0.791 19.433 19.000 -0.596 0.000 1.064 869 A HN 1.541 nan 8.150 nan 0.000 0.499 870 V N 4.763 124.568 119.914 -0.181 0.000 2.313 870 V HA 0.030 4.149 4.120 -0.002 0.000 0.252 870 V C 0.406 176.447 176.094 -0.088 0.000 1.112 870 V CA 0.220 62.484 62.300 -0.060 0.000 0.984 870 V CB -1.463 30.355 31.823 -0.008 0.000 1.157 870 V HN 0.944 nan 8.190 nan 0.000 0.493 871 Y N 1.989 122.292 120.300 0.004 0.000 2.263 871 Y HA -0.006 4.543 4.550 -0.002 0.000 0.292 871 Y C 1.664 177.572 175.900 0.013 0.000 1.130 871 Y CA 1.431 59.528 58.100 -0.006 0.000 1.179 871 Y CB 0.365 38.786 38.460 -0.065 0.000 0.998 871 Y HN 0.595 nan 8.280 nan 0.000 0.532 872 S N -0.625 115.174 115.700 0.165 0.000 2.588 872 S HA 0.747 5.216 4.470 -0.002 0.000 0.275 872 S C -1.161 173.491 174.600 0.087 0.000 1.130 872 S CA -0.783 57.490 58.200 0.122 0.000 0.855 872 S CB 0.981 64.249 63.200 0.113 0.000 1.116 872 S HN 0.065 nan 8.310 nan 0.000 0.472 873 M N 2.537 122.186 119.600 0.081 0.000 2.465 873 M HA 0.584 5.063 4.480 -0.002 0.000 0.284 873 M C -1.771 174.569 176.300 0.068 0.000 1.212 873 M CA -0.756 54.583 55.300 0.066 0.000 0.910 873 M CB 2.232 34.866 32.600 0.057 0.000 1.725 873 M HN 0.511 nan 8.290 nan 0.000 0.477 874 V N 1.692 121.644 119.914 0.063 0.000 2.852 874 V HA 0.373 4.492 4.120 -0.002 0.000 0.300 874 V C -1.014 175.140 176.094 0.100 0.000 1.205 874 V CA -0.463 61.884 62.300 0.079 0.000 0.940 874 V CB 2.110 33.982 31.823 0.082 0.000 1.047 874 V HN 0.932 nan 8.190 nan 0.000 0.429 875 E N 4.452 124.709 120.200 0.094 0.000 2.437 875 E HA 0.139 4.488 4.350 -0.002 0.000 0.263 875 E C -1.767 174.960 176.600 0.211 0.000 1.030 875 E CA 0.184 56.643 56.400 0.099 0.000 0.934 875 E CB 0.982 30.709 29.700 0.045 0.000 0.943 875 E HN 0.675 nan 8.360 nan 0.000 0.444 876 F N 3.986 123.927 119.950 -0.015 0.000 3.051 876 F HA 0.192 4.718 4.527 -0.002 0.000 0.363 876 F C -0.498 175.271 175.800 -0.052 0.000 1.257 876 F CA -0.722 57.264 58.000 -0.024 0.000 1.126 876 F CB 0.202 39.188 39.000 -0.024 0.000 1.476 876 F HN 0.621 nan 8.300 nan 0.000 0.576 877 N N 3.977 122.437 118.700 -0.401 0.000 2.707 877 N HA -0.162 4.577 4.740 -0.002 0.000 0.253 877 N C 1.018 176.421 175.510 -0.179 0.000 0.998 877 N CA 1.641 54.471 53.050 -0.367 0.000 0.751 877 N CB -0.924 37.200 38.487 -0.604 0.000 0.920 877 N HN 1.351 nan 8.380 nan 0.000 0.539 878 G N -2.039 106.711 108.800 -0.084 0.000 2.179 878 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.260 878 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.260 878 G C 0.256 175.163 174.900 0.012 0.000 0.977 878 G CA 0.990 46.075 45.100 -0.026 0.000 0.641 878 G HN 0.562 nan 8.290 nan 0.000 0.533 879 K N -1.114 119.300 120.400 0.025 0.000 2.354 879 K HA 0.812 5.131 4.320 -0.002 0.000 0.238 879 K C -0.849 175.818 176.600 0.113 0.000 1.068 879 K CA -1.131 55.206 56.287 0.083 0.000 0.925 879 K CB 1.512 34.062 32.500 0.084 0.000 1.286 879 K HN 0.158 nan 8.250 nan 0.000 0.500 880 L N 2.283 123.589 121.223 0.139 0.000 2.316 880 L HA 0.357 4.696 4.340 -0.002 0.000 0.280 880 L C -1.540 175.441 176.870 0.185 0.000 1.006 880 L CA -0.700 54.215 54.840 0.125 0.000 0.836 880 L CB 1.045 43.137 42.059 0.056 0.000 1.221 880 L HN 0.394 nan 8.230 nan 0.000 0.418 881 L N 5.390 126.693 121.223 0.133 0.000 2.305 881 L HA 0.868 5.207 4.340 -0.002 0.000 0.281 881 L C -0.278 176.644 176.870 0.086 0.000 1.085 881 L CA 0.292 55.175 54.840 0.070 0.000 0.813 881 L CB 1.011 43.014 42.059 -0.092 0.000 1.157 881 L HN 0.800 nan 8.230 nan 0.000 0.436 882 A N 2.966 125.858 122.820 0.120 0.000 2.556 882 A HA 0.827 5.146 4.320 -0.002 0.000 0.294 882 A C -1.029 176.604 177.584 0.083 0.000 1.091 882 A CA -0.158 51.952 52.037 0.122 0.000 0.704 882 A CB 1.650 20.775 19.000 0.209 0.000 1.300 882 A HN 0.793 nan 8.150 nan 0.000 0.406 883 S N 1.136 116.882 115.700 0.077 0.000 2.502 883 S HA 0.676 5.145 4.470 -0.002 0.000 0.304 883 S C 0.384 175.057 174.600 0.121 0.000 1.097 883 S CA -0.726 57.511 58.200 0.062 0.000 1.045 883 S CB 0.671 63.889 63.200 0.029 0.000 1.019 883 S HN 0.518 nan 8.310 nan 0.000 0.481 884 I N 2.443 123.083 120.570 0.118 0.000 4.236 884 I HA 0.218 4.387 4.170 -0.002 0.000 0.224 884 I C 1.457 177.700 176.117 0.208 0.000 0.995 884 I CA 0.314 61.697 61.300 0.139 0.000 1.505 884 I CB -1.288 36.793 38.000 0.134 0.000 1.378 884 I HN 0.640 nan 8.210 nan 0.000 0.438 885 N N -0.071 118.739 118.700 0.184 0.000 3.170 885 N HA 0.007 4.746 4.740 -0.002 0.000 0.235 885 N C 1.208 176.773 175.510 0.093 0.000 1.037 885 N CA 0.996 54.184 53.050 0.229 0.000 1.160 885 N CB 0.165 38.752 38.487 0.168 0.000 1.606 885 N HN 0.286 nan 8.380 nan 0.000 0.580 886 S N -1.048 114.702 115.700 0.084 0.000 2.568 886 S HA 0.340 4.809 4.470 -0.002 0.000 0.232 886 S C -0.065 174.581 174.600 0.077 0.000 0.975 886 S CA -0.366 57.868 58.200 0.056 0.000 0.949 886 S CB 0.090 63.333 63.200 0.071 0.000 0.829 886 S HN 0.059 nan 8.310 nan 0.000 0.479 887 T N 2.004 116.594 114.554 0.061 0.000 2.855 887 T HA 0.592 4.941 4.350 -0.002 0.000 0.281 887 T C -0.726 173.942 174.700 -0.053 0.000 1.007 887 T CA -0.505 61.582 62.100 -0.021 0.000 1.009 887 T CB 1.941 70.802 68.868 -0.012 0.000 0.983 887 T HN 0.041 nan 8.240 nan 0.000 0.455 888 V N 3.352 123.195 119.914 -0.119 0.000 2.334 888 V HA 0.560 4.679 4.120 -0.002 0.000 0.281 888 V C 0.121 176.188 176.094 -0.045 0.000 1.016 888 V CA -0.754 61.445 62.300 -0.168 0.000 0.832 888 V CB 1.175 32.739 31.823 -0.431 0.000 0.999 888 V HN 0.689 nan 8.190 nan 0.000 0.439 889 R N 3.908 124.425 120.500 0.029 0.000 2.778 889 R HA 0.793 5.132 4.340 -0.002 0.000 0.277 889 R C -1.601 174.774 176.300 0.124 0.000 0.977 889 R CA -0.729 55.408 56.100 0.061 0.000 0.950 889 R CB 1.701 31.946 30.300 -0.091 0.000 1.165 889 R HN 0.538 nan 8.270 nan 0.000 0.474 890 L N 3.908 125.155 121.223 0.040 0.000 2.372 890 L HA 0.456 4.795 4.340 -0.002 0.000 0.274 890 L C -1.783 175.060 176.870 -0.045 0.000 0.988 890 L CA -0.404 54.474 54.840 0.064 0.000 0.833 890 L CB 1.053 43.120 42.059 0.014 0.000 1.236 890 L HN 0.616 nan 8.230 nan 0.000 0.410 891 Y N 2.220 122.551 120.300 0.053 0.000 2.488 891 Y HA 0.619 5.168 4.550 -0.001 0.000 0.325 891 Y C 0.272 176.213 175.900 0.069 0.000 1.204 891 Y CA -0.488 57.648 58.100 0.060 0.000 1.229 891 Y CB 1.355 39.859 38.460 0.074 0.000 1.274 891 Y HN 0.494 nan 8.280 nan 0.000 0.493 892 E N 0.520 120.881 120.200 0.268 0.000 2.256 892 E HA 0.116 4.465 4.350 -0.002 0.000 0.267 892 E C -1.639 175.133 176.600 0.286 0.000 0.892 892 E CA -0.816 55.708 56.400 0.206 0.000 0.775 892 E CB 1.968 31.739 29.700 0.118 0.000 1.207 892 E HN 0.610 nan 8.360 nan 0.000 0.420 893 W N 4.035 125.344 121.300 0.015 0.000 2.316 893 W HA 0.227 4.886 4.660 -0.002 0.000 0.308 893 W C -0.878 175.635 176.519 -0.009 0.000 1.106 893 W CA -0.409 56.925 57.345 -0.018 0.000 1.262 893 W CB 1.257 30.691 29.460 -0.044 0.000 1.233 893 W HN 0.455 nan 8.180 nan 0.000 0.447 894 T N 2.418 116.754 114.554 -0.362 0.000 2.874 894 T HA 0.016 4.365 4.350 -0.002 0.000 0.281 894 T C 1.671 176.066 174.700 -0.508 0.000 0.994 894 T CA 0.073 61.967 62.100 -0.343 0.000 1.015 894 T CB 1.548 70.256 68.868 -0.266 0.000 1.028 894 T HN 0.508 nan 8.240 nan 0.000 0.523 895 T N -0.664 113.723 114.554 -0.278 0.000 2.881 895 T HA -0.093 4.256 4.350 -0.002 0.000 0.270 895 T C 1.423 175.960 174.700 -0.271 0.000 1.068 895 T CA 0.778 62.745 62.100 -0.222 0.000 1.131 895 T CB -0.158 68.640 68.868 -0.117 0.000 0.871 895 T HN 0.482 nan 8.240 nan 0.000 0.479 896 E N 1.442 121.469 120.200 -0.289 0.000 2.338 896 E HA -0.005 4.344 4.350 -0.002 0.000 0.197 896 E C 0.322 176.688 176.600 -0.390 0.000 1.007 896 E CA 0.368 56.611 56.400 -0.261 0.000 0.849 896 E CB -0.216 29.362 29.700 -0.204 0.000 0.774 896 E HN 0.641 nan 8.360 nan 0.000 0.506 897 K N 1.142 121.098 120.400 -0.741 0.000 3.549 897 K HA -0.155 4.164 4.320 -0.002 0.000 0.275 897 K C -1.456 174.533 176.600 -1.018 0.000 1.060 897 K CA 0.587 56.132 56.287 -1.236 0.000 0.812 897 K CB -1.104 31.123 32.500 -0.454 0.000 1.374 897 K HN 0.122 nan 8.250 nan 0.000 0.455 898 D N -0.546 119.278 120.400 -0.960 0.000 2.937 898 D HA 0.186 4.825 4.640 -0.002 0.000 0.215 898 D C -0.584 175.700 176.300 -0.026 0.000 1.274 898 D CA -0.752 53.085 54.000 -0.272 0.000 0.869 898 D CB 1.531 42.237 40.800 -0.156 0.000 1.675 898 D HN 0.021 nan 8.370 nan 0.000 0.538 899 V N 0.519 120.587 119.914 0.256 0.000 2.479 899 V HA 0.417 4.536 4.120 -0.002 0.000 0.281 899 V C 0.259 176.532 176.094 0.298 0.000 1.031 899 V CA -0.237 62.244 62.300 0.301 0.000 1.038 899 V CB 0.583 32.446 31.823 0.066 0.000 0.981 899 V HN 0.554 nan 8.190 nan 0.000 0.478 900 R N 3.602 124.273 120.500 0.286 0.000 2.337 900 R HA 0.410 4.749 4.340 -0.002 0.000 0.319 900 R C 0.236 176.633 176.300 0.162 0.000 0.954 900 R CA -0.175 56.051 56.100 0.210 0.000 0.840 900 R CB 1.279 31.631 30.300 0.085 0.000 1.164 900 R HN 0.995 nan 8.270 nan 0.000 0.472 901 T N 1.253 115.841 114.554 0.056 0.000 2.923 901 T HA -0.095 4.254 4.350 -0.002 0.000 0.304 901 T C 0.677 175.300 174.700 -0.129 0.000 1.044 901 T CA 0.778 62.726 62.100 -0.254 0.000 1.141 901 T CB 0.674 69.333 68.868 -0.350 0.000 1.023 901 T HN 0.883 nan 8.240 nan 0.000 0.533 902 E N 2.029 122.138 120.200 -0.152 0.000 2.354 902 E HA 0.170 4.519 4.350 -0.002 0.000 0.203 902 E C -0.122 176.398 176.600 -0.132 0.000 0.841 902 E CA -0.081 56.263 56.400 -0.094 0.000 1.046 902 E CB 0.701 30.372 29.700 -0.048 0.000 1.040 902 E HN 0.803 nan 8.360 nan 0.000 0.504 903 C N -0.300 118.874 119.300 -0.209 0.000 3.044 903 C HA 0.653 5.112 4.460 -0.002 0.000 0.315 903 C C -0.663 174.247 174.990 -0.133 0.000 1.320 903 C CA -0.938 57.911 59.018 -0.282 0.000 1.582 903 C CB 0.950 28.218 27.740 -0.786 0.000 2.039 903 C HN 0.351 nan 8.230 nan 0.000 0.466 904 N N -0.221 118.458 118.700 -0.036 0.000 2.308 904 N HA 0.444 5.183 4.740 -0.002 0.000 0.283 904 N C -1.866 173.634 175.510 -0.018 0.000 1.105 904 N CA -0.483 52.527 53.050 -0.067 0.000 0.840 904 N CB 1.495 39.821 38.487 -0.269 0.000 1.633 904 N HN 0.857 nan 8.380 nan 0.000 0.476 905 H N 1.981 120.861 119.070 -0.317 0.000 2.689 905 H HA 0.235 4.790 4.556 -0.002 0.000 0.346 905 H C -1.098 173.950 175.328 -0.467 0.000 1.037 905 H CA -0.353 55.539 56.048 -0.260 0.000 1.234 905 H CB 0.817 30.448 29.762 -0.218 0.000 1.572 905 H HN 0.746 nan 8.280 nan 0.000 0.524 906 Y N 2.411 122.565 120.300 -0.244 0.000 2.453 906 Y HA 0.096 4.644 4.550 -0.002 0.000 0.247 906 Y C 1.261 177.079 175.900 -0.136 0.000 1.124 906 Y CA -0.364 57.677 58.100 -0.099 0.000 1.243 906 Y CB 0.420 38.834 38.460 -0.077 0.000 1.213 906 Y HN 0.439 nan 8.280 nan 0.000 0.523 907 N N 3.282 121.817 118.700 -0.274 0.000 3.127 907 N HA 0.008 4.747 4.740 -0.002 0.000 0.317 907 N C -0.940 174.650 175.510 0.133 0.000 1.242 907 N CA 0.034 53.044 53.050 -0.067 0.000 1.203 907 N CB -0.926 37.461 38.487 -0.167 0.000 1.462 907 N HN 0.540 nan 8.380 nan 0.000 0.546 908 N N -0.632 118.115 118.700 0.078 0.000 3.227 908 N HA 0.146 4.885 4.740 -0.002 0.000 0.241 908 N C 0.051 175.548 175.510 -0.021 0.000 1.480 908 N CA -0.576 52.480 53.050 0.010 0.000 0.886 908 N CB 0.572 39.056 38.487 -0.005 0.000 1.406 908 N HN -0.096 nan 8.380 nan 0.000 0.514 909 I N -1.064 119.459 120.570 -0.079 0.000 2.947 909 I HA 0.214 4.383 4.170 -0.002 0.000 0.263 909 I C 0.407 176.464 176.117 -0.100 0.000 1.130 909 I CA 0.845 62.093 61.300 -0.086 0.000 1.448 909 I CB 0.178 38.101 38.000 -0.129 0.000 1.222 909 I HN 0.338 nan 8.210 nan 0.000 0.453 910 M N 1.438 120.939 119.600 -0.166 0.000 2.134 910 M HA 0.319 4.798 4.480 -0.002 0.000 0.249 910 M C -0.898 175.220 176.300 -0.304 0.000 0.955 910 M CA -0.223 54.930 55.300 -0.244 0.000 1.037 910 M CB 1.751 34.160 32.600 -0.318 0.000 2.110 910 M HN 0.039 nan 8.290 nan 0.000 0.449 911 A N 4.284 126.967 122.820 -0.229 0.000 2.981 911 A HA 0.369 4.688 4.320 -0.002 0.000 0.280 911 A C 0.986 178.385 177.584 -0.309 0.000 1.743 911 A CA -0.104 51.797 52.037 -0.226 0.000 1.430 911 A CB -0.480 18.435 19.000 -0.142 0.000 1.085 911 A HN 0.934 nan 8.150 nan 0.000 0.597 912 L N 0.397 121.296 121.223 -0.539 0.000 2.209 912 L HA 0.069 4.408 4.340 -0.002 0.000 0.207 912 L C -0.091 176.368 176.870 -0.686 0.000 1.094 912 L CA 0.758 55.111 54.840 -0.812 0.000 0.790 912 L CB -0.261 40.984 42.059 -1.356 0.000 0.932 912 L HN 0.680 nan 8.230 nan 0.000 0.447 913 Y N -0.054 120.214 120.300 -0.053 0.000 2.350 913 Y HA 0.593 5.142 4.550 -0.002 0.000 0.338 913 Y C -0.609 175.268 175.900 -0.039 0.000 0.961 913 Y CA -1.209 56.880 58.100 -0.019 0.000 1.100 913 Y CB 1.704 40.159 38.460 -0.008 0.000 1.179 913 Y HN -0.233 nan 8.280 nan 0.000 0.454 914 L N 4.412 125.717 121.223 0.137 0.000 2.381 914 L HA 0.641 4.980 4.340 -0.002 0.000 0.268 914 L C -0.712 176.199 176.870 0.068 0.000 0.997 914 L CA -1.333 53.532 54.840 0.042 0.000 0.818 914 L CB 1.843 43.898 42.059 -0.007 0.000 1.310 914 L HN 0.532 nan 8.230 nan 0.000 0.416 915 K N 0.990 121.414 120.400 0.040 0.000 2.532 915 K HA 0.772 5.091 4.320 -0.002 0.000 0.265 915 K C -1.171 175.479 176.600 0.084 0.000 0.948 915 K CA -0.672 55.666 56.287 0.085 0.000 0.842 915 K CB 2.490 35.056 32.500 0.110 0.000 1.392 915 K HN 0.542 nan 8.250 nan 0.000 0.436 916 T N 1.271 115.910 114.554 0.143 0.000 2.900 916 T HA 0.499 4.848 4.350 -0.002 0.000 0.295 916 T C -1.098 173.745 174.700 0.238 0.000 1.044 916 T CA -0.609 61.618 62.100 0.212 0.000 0.995 916 T CB 1.669 70.719 68.868 0.304 0.000 1.072 916 T HN 0.413 nan 8.240 nan 0.000 0.473 917 K N 1.617 122.204 120.400 0.312 0.000 2.896 917 K HA 0.504 4.823 4.320 -0.002 0.000 0.228 917 K C 0.174 176.978 176.600 0.340 0.000 1.151 917 K CA 0.008 56.458 56.287 0.271 0.000 1.035 917 K CB 0.068 32.717 32.500 0.249 0.000 1.263 917 K HN 0.921 nan 8.250 nan 0.000 0.574 918 G N 3.545 112.477 108.800 0.220 0.000 2.274 918 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.251 918 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.251 918 G C 0.002 174.963 174.900 0.102 0.000 0.836 918 G CA 0.657 45.825 45.100 0.113 0.000 1.246 918 G HN 0.821 nan 8.290 nan 0.000 0.355 919 D N -1.748 118.713 120.400 0.100 0.000 2.439 919 D HA -0.190 4.449 4.640 -0.002 0.000 0.172 919 D C 0.609 176.951 176.300 0.071 0.000 1.026 919 D CA 2.135 56.222 54.000 0.144 0.000 1.043 919 D CB -1.389 39.308 40.800 -0.172 0.000 1.098 919 D HN 0.657 nan 8.370 nan 0.000 0.467 920 F N 0.546 120.706 119.950 0.350 0.000 2.422 920 F HA 0.544 5.070 4.527 -0.002 0.000 0.333 920 F C 0.653 176.527 175.800 0.122 0.000 1.095 920 F CA -0.761 57.363 58.000 0.206 0.000 1.038 920 F CB 1.215 40.318 39.000 0.171 0.000 1.156 920 F HN -0.242 nan 8.300 nan 0.000 0.483 921 I N 4.486 125.145 120.570 0.148 0.000 2.478 921 I HA 0.249 4.418 4.170 -0.002 0.000 0.287 921 I C -0.994 175.036 176.117 -0.144 0.000 1.042 921 I CA -0.785 60.467 61.300 -0.079 0.000 1.067 921 I CB 1.488 39.306 38.000 -0.303 0.000 1.233 921 I HN 0.349 nan 8.210 nan 0.000 0.431 922 L N 8.317 129.459 121.223 -0.136 0.000 2.264 922 L HA 0.529 4.868 4.340 -0.002 0.000 0.289 922 L C -0.549 176.214 176.870 -0.178 0.000 1.044 922 L CA -0.177 54.528 54.840 -0.224 0.000 0.807 922 L CB 1.337 43.289 42.059 -0.178 0.000 1.192 922 L HN 0.311 nan 8.230 nan 0.000 0.425 923 V N 4.638 124.420 119.914 -0.220 0.000 2.398 923 V HA 0.670 4.789 4.120 -0.002 0.000 0.286 923 V C 0.686 176.717 176.094 -0.106 0.000 1.026 923 V CA -0.475 61.714 62.300 -0.185 0.000 0.868 923 V CB 1.202 32.852 31.823 -0.287 0.000 0.982 923 V HN 0.901 nan 8.190 nan 0.000 0.443 924 G N 2.680 111.473 108.800 -0.011 0.000 2.335 924 G HA2 0.443 4.402 3.960 -0.002 0.000 0.314 924 G HA3 0.443 4.402 3.960 -0.002 0.000 0.314 924 G C -0.805 174.074 174.900 -0.035 0.000 1.129 924 G CA -0.215 44.944 45.100 0.098 0.000 0.912 924 G HN 0.666 nan 8.290 nan 0.000 0.443 925 D N 2.200 122.560 120.400 -0.068 0.000 2.217 925 D HA 0.104 4.743 4.640 -0.002 0.000 0.248 925 D C 1.429 177.626 176.300 -0.172 0.000 1.008 925 D CA -0.773 53.127 54.000 -0.167 0.000 0.914 925 D CB 2.258 42.954 40.800 -0.173 0.000 1.182 925 D HN 0.165 nan 8.370 nan 0.000 0.451 926 L N 3.162 124.231 121.223 -0.257 0.000 2.081 926 L HA -0.154 4.185 4.340 -0.002 0.000 0.212 926 L C 1.522 178.146 176.870 -0.410 0.000 1.080 926 L CA 1.938 56.632 54.840 -0.244 0.000 0.754 926 L CB -0.181 41.718 42.059 -0.265 0.000 0.893 926 L HN 0.585 nan 8.230 nan 0.000 0.433 927 M N -2.500 116.791 119.600 -0.515 0.000 2.180 927 M HA 0.212 4.691 4.480 -0.002 0.000 0.266 927 M C 1.227 177.270 176.300 -0.429 0.000 1.200 927 M CA -0.017 54.827 55.300 -0.759 0.000 1.101 927 M CB 0.351 32.423 32.600 -0.881 0.000 1.769 927 M HN -0.138 nan 8.290 nan 0.000 0.609 928 R N 1.526 121.846 120.500 -0.300 0.000 2.386 928 R HA 0.203 4.542 4.340 -0.002 0.000 0.216 928 R C 0.629 176.821 176.300 -0.180 0.000 1.119 928 R CA 0.285 56.251 56.100 -0.223 0.000 1.158 928 R CB -0.380 29.804 30.300 -0.194 0.000 1.057 928 R HN 0.440 nan 8.270 nan 0.000 0.489 929 S N -0.042 115.573 115.700 -0.142 0.000 3.525 929 S HA -0.225 4.244 4.470 -0.002 0.000 0.629 929 S C 0.234 174.831 174.600 -0.005 0.000 2.621 929 S CA 1.094 59.268 58.200 -0.043 0.000 3.752 929 S CB -0.873 62.275 63.200 -0.088 0.000 0.260 929 S HN 0.373 nan 8.310 nan 0.000 1.214 930 V N 0.718 120.651 119.914 0.032 0.000 2.732 930 V HA 0.953 5.072 4.120 -0.002 0.000 0.310 930 V C -0.256 175.762 176.094 -0.126 0.000 1.053 930 V CA -0.157 62.129 62.300 -0.023 0.000 0.957 930 V CB 1.371 33.210 31.823 0.027 0.000 1.018 930 V HN 1.296 nan 8.190 nan 0.000 0.452 931 L N 3.752 124.862 121.223 -0.188 0.000 2.409 931 L HA 0.828 5.167 4.340 -0.002 0.000 0.262 931 L C -1.433 175.264 176.870 -0.289 0.000 0.992 931 L CA -0.773 53.930 54.840 -0.227 0.000 0.817 931 L CB 1.998 43.922 42.059 -0.225 0.000 1.350 931 L HN 0.827 nan 8.230 nan 0.000 0.411 932 L N 4.691 125.755 121.223 -0.264 0.000 2.294 932 L HA 0.615 4.954 4.340 -0.002 0.000 0.283 932 L C -1.206 175.593 176.870 -0.119 0.000 1.015 932 L CA -0.019 54.657 54.840 -0.273 0.000 0.831 932 L CB 0.887 42.753 42.059 -0.322 0.000 1.217 932 L HN 0.704 nan 8.230 nan 0.000 0.420 933 L N 3.944 125.090 121.223 -0.129 0.000 2.397 933 L HA 0.975 5.314 4.340 -0.002 0.000 0.266 933 L C -0.095 176.835 176.870 0.099 0.000 1.040 933 L CA -0.795 54.003 54.840 -0.070 0.000 0.800 933 L CB 1.671 43.554 42.059 -0.294 0.000 1.324 933 L HN 0.750 nan 8.230 nan 0.000 0.469 934 A N -0.033 122.865 122.820 0.131 0.000 2.574 934 A HA 0.517 4.836 4.320 -0.002 0.000 0.297 934 A C -1.967 175.765 177.584 0.246 0.000 1.062 934 A CA -0.400 51.698 52.037 0.101 0.000 0.686 934 A CB 1.240 20.242 19.000 0.004 0.000 1.285 934 A HN 0.498 nan 8.150 nan 0.000 0.403 935 Y N 1.530 121.912 120.300 0.137 0.000 2.376 935 Y HA 0.670 5.219 4.550 -0.001 0.000 0.325 935 Y C -0.336 175.590 175.900 0.043 0.000 1.199 935 Y CA -0.752 57.458 58.100 0.183 0.000 1.206 935 Y CB 1.341 40.008 38.460 0.345 0.000 1.229 935 Y HN 0.424 nan 8.280 nan 0.000 0.480 936 K N 7.438 127.398 120.400 -0.734 0.000 2.530 936 K HA 0.239 4.558 4.320 -0.002 0.000 0.230 936 K C -2.255 173.785 176.600 -0.932 0.000 1.002 936 K CA -2.133 53.799 56.287 -0.591 0.000 1.014 936 K CB 1.317 33.630 32.500 -0.311 0.000 1.286 936 K HN 0.503 nan 8.250 nan 0.000 0.480 937 P HA -0.175 nan 4.420 nan 0.000 0.220 937 P C 1.023 178.183 177.300 -0.233 0.000 1.144 937 P CA 1.313 64.175 63.100 -0.397 0.000 0.800 937 P CB 0.375 32.049 31.700 -0.043 0.000 0.772 938 M N -0.547 118.920 119.600 -0.221 0.000 2.171 938 M HA -0.038 4.441 4.480 -0.002 0.000 0.260 938 M C 2.247 178.463 176.300 -0.139 0.000 1.087 938 M CA 1.552 56.772 55.300 -0.134 0.000 1.154 938 M CB -0.594 31.947 32.600 -0.099 0.000 1.331 938 M HN -0.090 nan 8.290 nan 0.000 0.431 939 E N 0.162 120.258 120.200 -0.174 0.000 2.150 939 E HA -0.065 4.284 4.350 -0.002 0.000 0.193 939 E C 0.974 177.483 176.600 -0.152 0.000 0.985 939 E CA 0.733 57.049 56.400 -0.141 0.000 0.814 939 E CB -0.110 29.510 29.700 -0.133 0.000 0.752 939 E HN 0.727 nan 8.360 nan 0.000 0.466 940 G N 2.173 110.826 108.800 -0.246 0.000 2.182 940 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.248 940 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.248 940 G C -0.151 174.662 174.900 -0.144 0.000 1.042 940 G CA 0.608 45.615 45.100 -0.156 0.000 0.775 940 G HN 0.499 nan 8.290 nan 0.000 0.501 941 N N -1.777 116.770 118.700 -0.254 0.000 3.439 941 N HA 0.705 5.444 4.740 -0.002 0.000 0.313 941 N C -1.229 174.130 175.510 -0.251 0.000 1.598 941 N CA -1.395 51.495 53.050 -0.266 0.000 0.830 941 N CB 0.999 39.403 38.487 -0.138 0.000 1.849 941 N HN 0.051 nan 8.380 nan 0.000 0.598 942 F N 0.658 120.646 119.950 0.064 0.000 2.532 942 F HA 0.265 4.791 4.527 -0.001 0.000 0.365 942 F C -0.002 175.843 175.800 0.075 0.000 1.112 942 F CA -0.827 57.218 58.000 0.075 0.000 1.082 942 F CB 1.520 40.571 39.000 0.084 0.000 1.319 942 F HN 0.435 nan 8.300 nan 0.000 0.457 943 E N 3.992 124.340 120.200 0.248 0.000 2.249 943 E HA 0.227 4.576 4.350 -0.002 0.000 0.280 943 E C -0.730 175.966 176.600 0.159 0.000 1.016 943 E CA -0.670 55.837 56.400 0.178 0.000 0.830 943 E CB 1.046 30.809 29.700 0.104 0.000 1.081 943 E HN 0.578 nan 8.360 nan 0.000 0.395 944 E N 4.105 124.396 120.200 0.152 0.000 2.351 944 E HA 0.001 4.350 4.350 -0.002 0.000 0.266 944 E C 0.714 177.375 176.600 0.101 0.000 1.031 944 E CA -0.300 56.167 56.400 0.110 0.000 0.911 944 E CB 0.727 30.500 29.700 0.120 0.000 0.986 944 E HN 0.544 nan 8.360 nan 0.000 0.446 945 I N 1.584 122.211 120.570 0.096 0.000 2.429 945 I HA 0.068 4.237 4.170 -0.002 0.000 0.247 945 I C 0.944 177.126 176.117 0.107 0.000 1.099 945 I CA 0.921 62.293 61.300 0.120 0.000 1.422 945 I CB -0.705 37.399 38.000 0.173 0.000 1.112 945 I HN 0.518 nan 8.210 nan 0.000 0.430 946 A N 0.681 123.547 122.820 0.078 0.000 2.586 946 A HA 0.720 5.039 4.320 -0.002 0.000 0.291 946 A C -0.593 177.001 177.584 0.018 0.000 1.062 946 A CA -0.660 51.440 52.037 0.104 0.000 0.666 946 A CB 1.691 20.770 19.000 0.131 0.000 1.281 946 A HN 0.297 nan 8.150 nan 0.000 0.421 947 R N 0.158 120.668 120.500 0.016 0.000 2.781 947 R HA 0.725 5.064 4.340 -0.002 0.000 0.269 947 R C -1.627 174.569 176.300 -0.173 0.000 1.025 947 R CA -0.650 55.347 56.100 -0.173 0.000 0.914 947 R CB 1.181 31.258 30.300 -0.372 0.000 1.236 947 R HN 0.561 nan 8.270 nan 0.000 0.465 948 D N 0.168 120.444 120.400 -0.206 0.000 2.249 948 D HA 0.217 4.856 4.640 -0.002 0.000 0.246 948 D C -0.494 175.631 176.300 -0.292 0.000 1.114 948 D CA -0.567 53.368 54.000 -0.107 0.000 0.854 948 D CB 0.675 41.459 40.800 -0.027 0.000 1.132 948 D HN 0.498 nan 8.370 nan 0.000 0.461 949 F N 1.407 121.272 119.950 -0.142 0.000 2.765 949 F HA 0.222 4.748 4.527 -0.002 0.000 0.302 949 F C 0.847 176.560 175.800 -0.146 0.000 1.111 949 F CA -0.366 57.538 58.000 -0.160 0.000 1.359 949 F CB -0.003 38.850 39.000 -0.245 0.000 1.097 949 F HN 0.216 nan 8.300 nan 0.000 0.577 950 N N 1.876 120.552 118.700 -0.040 0.000 2.444 950 N HA 0.203 4.942 4.740 -0.002 0.000 0.271 950 N C -2.580 172.848 175.510 -0.136 0.000 1.069 950 N CA -1.339 51.654 53.050 -0.096 0.000 0.965 950 N CB 0.916 39.306 38.487 -0.162 0.000 1.092 950 N HN -0.132 nan 8.380 nan 0.000 0.476 951 P HA 0.195 nan 4.420 nan 0.000 0.271 951 P C -0.703 176.525 177.300 -0.119 0.000 1.218 951 P CA 0.004 63.030 63.100 -0.124 0.000 0.780 951 P CB 0.710 32.360 31.700 -0.083 0.000 0.901 952 N N 1.376 119.997 118.700 -0.132 0.000 2.537 952 N HA 0.086 4.825 4.740 -0.002 0.000 0.281 952 N C -1.650 173.859 175.510 -0.000 0.000 1.097 952 N CA -0.350 52.675 53.050 -0.042 0.000 0.964 952 N CB 0.824 39.236 38.487 -0.126 0.000 1.588 952 N HN 0.331 nan 8.380 nan 0.000 0.511 953 W N 3.490 124.780 121.300 -0.018 0.000 2.497 953 W HA 0.324 4.983 4.660 -0.001 0.000 0.354 953 W C 0.609 177.149 176.519 0.036 0.000 1.111 953 W CA -0.438 56.909 57.345 0.004 0.000 1.510 953 W CB 0.187 29.639 29.460 -0.013 0.000 1.466 953 W HN 0.225 nan 8.180 nan 0.000 0.409 954 M N 2.148 121.891 119.600 0.239 0.000 2.245 954 M HA 0.065 4.544 4.480 -0.002 0.000 0.330 954 M C 1.302 177.759 176.300 0.262 0.000 1.098 954 M CA 0.458 55.907 55.300 0.248 0.000 1.172 954 M CB 0.718 33.505 32.600 0.312 0.000 1.467 954 M HN 0.518 nan 8.290 nan 0.000 0.454 955 S N -0.557 115.099 115.700 -0.073 0.000 2.653 955 S HA 0.606 5.075 4.470 -0.002 0.000 0.259 955 S C 0.210 174.308 174.600 -0.837 0.000 1.076 955 S CA 0.179 58.190 58.200 -0.314 0.000 1.051 955 S CB 0.624 63.395 63.200 -0.715 0.000 0.994 955 S HN 0.910 nan 8.310 nan 0.000 0.552 956 A N 0.315 122.690 122.820 -0.741 0.000 2.594 956 A HA 0.785 5.104 4.320 -0.002 0.000 0.296 956 A C -1.564 175.919 177.584 -0.169 0.000 1.061 956 A CA -0.545 51.094 52.037 -0.664 0.000 0.689 956 A CB 1.638 20.235 19.000 -0.671 0.000 1.280 956 A HN 0.763 nan 8.150 nan 0.000 0.406 957 V N 0.445 120.374 119.914 0.024 0.000 3.049 957 V HA 0.914 5.033 4.120 -0.002 0.000 0.309 957 V C -1.410 174.760 176.094 0.126 0.000 1.148 957 V CA -0.289 62.066 62.300 0.091 0.000 0.990 957 V CB 2.283 34.129 31.823 0.038 0.000 1.039 957 V HN 1.245 nan 8.190 nan 0.000 0.430 958 E N 2.769 122.898 120.200 -0.119 0.000 2.375 958 E HA 0.501 4.850 4.350 -0.002 0.000 0.280 958 E C -1.712 174.860 176.600 -0.047 0.000 0.972 958 E CA -0.438 55.881 56.400 -0.135 0.000 0.782 958 E CB 1.810 31.227 29.700 -0.470 0.000 1.229 958 E HN 0.572 nan 8.360 nan 0.000 0.439 959 I N 5.943 126.577 120.570 0.106 0.000 2.291 959 I HA 0.167 4.336 4.170 -0.002 0.000 0.290 959 I C 1.249 177.418 176.117 0.086 0.000 1.050 959 I CA -0.323 61.094 61.300 0.194 0.000 1.245 959 I CB 0.620 38.782 38.000 0.270 0.000 1.405 959 I HN 0.578 nan 8.210 nan 0.000 0.478 960 L N 4.656 125.827 121.223 -0.088 0.000 1.994 960 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 960 L C 0.850 177.693 176.870 -0.045 0.000 1.071 960 L CA 1.526 56.314 54.840 -0.086 0.000 0.745 960 L CB -0.299 41.640 42.059 -0.200 0.000 0.892 960 L HN 0.775 nan 8.230 nan 0.000 0.431 961 D N -3.850 116.442 120.400 -0.180 0.000 3.236 961 D HA 0.007 4.646 4.640 -0.002 0.000 0.325 961 D C 0.292 176.454 176.300 -0.230 0.000 1.352 961 D CA -0.514 53.391 54.000 -0.159 0.000 0.979 961 D CB -0.056 40.648 40.800 -0.160 0.000 1.410 961 D HN -0.263 nan 8.370 nan 0.000 0.588 962 D N -0.808 119.473 120.400 -0.198 0.000 2.264 962 D HA -0.027 4.612 4.640 -0.002 0.000 0.208 962 D C 0.142 176.228 176.300 -0.357 0.000 0.966 962 D CA 1.045 54.911 54.000 -0.223 0.000 0.864 962 D CB 0.256 40.967 40.800 -0.148 0.000 0.933 962 D HN 0.328 nan 8.370 nan 0.000 0.499 963 D N -0.751 119.383 120.400 -0.442 0.000 2.498 963 D HA 0.065 4.704 4.640 -0.002 0.000 0.223 963 D C 0.166 176.006 176.300 -0.768 0.000 1.125 963 D CA -0.050 53.658 54.000 -0.486 0.000 0.835 963 D CB 0.713 41.354 40.800 -0.265 0.000 1.086 963 D HN 0.061 nan 8.370 nan 0.000 0.510 964 N N 0.728 118.906 118.700 -0.870 0.000 2.372 964 N HA 0.354 5.093 4.740 -0.002 0.000 0.291 964 N C -1.085 173.838 175.510 -0.979 0.000 1.024 964 N CA -0.244 52.354 53.050 -0.754 0.000 0.873 964 N CB 1.772 40.009 38.487 -0.418 0.000 1.206 964 N HN -0.148 nan 8.380 nan 0.000 0.486 965 F N 1.306 121.179 119.950 -0.128 0.000 2.493 965 F HA 0.385 4.910 4.527 -0.002 0.000 0.329 965 F C 0.070 175.726 175.800 -0.241 0.000 1.126 965 F CA -1.075 56.831 58.000 -0.156 0.000 0.937 965 F CB 1.534 40.466 39.000 -0.113 0.000 1.146 965 F HN 0.173 nan 8.300 nan 0.000 0.442 966 L N 2.947 124.054 121.223 -0.193 0.000 2.307 966 L HA 0.889 5.228 4.340 -0.002 0.000 0.282 966 L C -0.066 176.471 176.870 -0.554 0.000 1.051 966 L CA 0.099 54.696 54.840 -0.404 0.000 0.804 966 L CB 1.104 42.842 42.059 -0.535 0.000 1.197 966 L HN 0.693 nan 8.230 nan 0.000 0.431 967 G N 3.062 111.365 108.800 -0.828 0.000 2.605 967 G HA2 0.823 4.782 3.960 -0.002 0.000 0.296 967 G HA3 0.823 4.782 3.960 -0.002 0.000 0.296 967 G C -1.943 172.671 174.900 -0.476 0.000 1.304 967 G CA -0.317 44.260 45.100 -0.871 0.000 0.941 967 G HN 0.941 nan 8.290 nan 0.000 0.475 968 A N 0.590 123.345 122.820 -0.108 0.000 2.402 968 A HA 0.714 5.033 4.320 -0.002 0.000 0.291 968 A C -0.334 177.232 177.584 -0.030 0.000 1.051 968 A CA -0.564 51.442 52.037 -0.051 0.000 0.716 968 A CB 1.744 20.644 19.000 -0.167 0.000 1.223 968 A HN 0.777 nan 8.150 nan 0.000 0.425 969 E N 1.908 122.121 120.200 0.022 0.000 2.264 969 E HA 0.199 4.548 4.350 -0.002 0.000 0.260 969 E C -0.118 176.339 176.600 -0.237 0.000 0.961 969 E CA -0.469 55.926 56.400 -0.008 0.000 0.834 969 E CB 0.862 30.647 29.700 0.141 0.000 1.230 969 E HN 0.556 nan 8.360 nan 0.000 0.412 970 N N 0.497 119.093 118.700 -0.174 0.000 2.609 970 N HA -0.038 4.701 4.740 -0.002 0.000 0.190 970 N C 0.753 175.856 175.510 -0.678 0.000 1.157 970 N CA 1.041 53.938 53.050 -0.256 0.000 0.918 970 N CB -0.167 38.316 38.487 -0.007 0.000 0.978 970 N HN 0.424 nan 8.380 nan 0.000 0.448 971 A N -0.709 121.736 122.820 -0.625 0.000 2.345 971 A HA 0.362 4.681 4.320 -0.002 0.000 0.225 971 A C -0.151 177.020 177.584 -0.687 0.000 1.243 971 A CA -0.546 51.064 52.037 -0.712 0.000 0.875 971 A CB -0.767 17.992 19.000 -0.402 0.000 0.929 971 A HN 0.282 nan 8.150 nan 0.000 0.502 972 F N -1.863 118.021 119.950 -0.109 0.000 2.937 972 F HA -0.228 4.298 4.527 -0.002 0.000 0.290 972 F C 0.049 175.595 175.800 -0.424 0.000 0.802 972 F CA 0.429 58.295 58.000 -0.223 0.000 1.336 972 F CB -2.452 36.438 39.000 -0.184 0.000 1.438 972 F HN 0.338 nan 8.300 nan 0.000 0.469 973 N N 0.718 119.245 118.700 -0.288 0.000 2.432 973 N HA 0.887 5.626 4.740 -0.002 0.000 0.292 973 N C -0.697 174.763 175.510 -0.082 0.000 1.193 973 N CA -0.857 52.007 53.050 -0.309 0.000 0.878 973 N CB 1.633 39.697 38.487 -0.705 0.000 1.252 973 N HN 0.120 nan 8.380 nan 0.000 0.520 974 L N 0.778 121.999 121.223 -0.003 0.000 2.341 974 L HA 0.701 5.040 4.340 -0.002 0.000 0.267 974 L C -1.228 175.793 176.870 0.251 0.000 1.009 974 L CA -1.004 53.838 54.840 0.002 0.000 0.819 974 L CB 1.138 43.037 42.059 -0.267 0.000 1.323 974 L HN 0.656 nan 8.230 nan 0.000 0.425 975 F N 0.398 120.419 119.950 0.119 0.000 2.654 975 F HA 0.782 5.308 4.527 -0.002 0.000 0.308 975 F C -1.059 174.848 175.800 0.179 0.000 1.108 975 F CA -1.174 56.940 58.000 0.191 0.000 0.957 975 F CB 1.236 40.323 39.000 0.144 0.000 1.309 975 F HN 0.186 nan 8.300 nan 0.000 0.446 976 V N -0.663 119.396 119.914 0.241 0.000 2.715 976 V HA 0.830 4.949 4.120 -0.002 0.000 0.310 976 V C -1.005 175.179 176.094 0.150 0.000 1.054 976 V CA -0.986 61.346 62.300 0.053 0.000 0.928 976 V CB 1.200 33.005 31.823 -0.029 0.000 1.007 976 V HN 1.140 nan 8.190 nan 0.000 0.437 977 C N 3.430 122.803 119.300 0.122 0.000 2.455 977 C HA 0.714 5.173 4.460 -0.002 0.000 0.320 977 C C -0.125 174.931 174.990 0.110 0.000 1.226 977 C CA -0.177 58.955 59.018 0.190 0.000 1.569 977 C CB 1.272 29.195 27.740 0.305 0.000 2.200 977 C HN 1.079 nan 8.230 nan 0.000 0.491 978 Q N 1.951 121.789 119.800 0.063 0.000 2.359 978 Q HA 0.584 4.923 4.340 -0.002 0.000 0.275 978 Q C -0.913 175.127 176.000 0.067 0.000 1.082 978 Q CA -0.584 55.210 55.803 -0.015 0.000 0.849 978 Q CB 1.586 30.274 28.738 -0.084 0.000 1.377 978 Q HN 0.667 nan 8.270 nan 0.000 0.452 979 K N 0.786 121.205 120.400 0.032 0.000 2.258 979 K HA 0.497 4.816 4.320 -0.002 0.000 0.236 979 K C -1.293 175.317 176.600 0.015 0.000 1.008 979 K CA -0.855 55.471 56.287 0.065 0.000 0.869 979 K CB 1.248 33.792 32.500 0.074 0.000 1.171 979 K HN 0.479 nan 8.250 nan 0.000 0.447 980 D N -0.169 120.247 120.400 0.026 0.000 2.936 980 D HA 0.212 4.851 4.640 -0.002 0.000 0.238 980 D C -0.367 175.943 176.300 0.017 0.000 1.248 980 D CA -0.155 53.848 54.000 0.005 0.000 0.903 980 D CB 2.372 43.177 40.800 0.009 0.000 1.544 980 D HN 0.335 nan 8.370 nan 0.000 0.543 981 S N 0.604 116.309 115.700 0.009 0.000 2.807 981 S HA 0.099 4.568 4.470 -0.002 0.000 0.247 981 S C 1.486 176.095 174.600 0.015 0.000 1.078 981 S CA 0.250 58.462 58.200 0.020 0.000 0.867 981 S CB 0.557 63.765 63.200 0.013 0.000 0.797 981 S HN 0.548 nan 8.310 nan 0.000 0.515 982 A N 1.494 124.317 122.820 0.006 0.000 2.261 982 A HA 0.647 4.966 4.320 -0.002 0.000 0.208 982 A C 1.006 178.589 177.584 -0.001 0.000 1.223 982 A CA 0.546 52.586 52.037 0.004 0.000 0.833 982 A CB -0.613 18.388 19.000 0.001 0.000 0.830 982 A HN 0.478 nan 8.150 nan 0.000 0.483 983 A N -0.713 122.105 122.820 -0.003 0.000 2.529 983 A HA 0.485 4.804 4.320 -0.002 0.000 0.269 983 A C 0.870 178.445 177.584 -0.014 0.000 1.509 983 A CA 0.141 52.172 52.037 -0.011 0.000 0.857 983 A CB -0.592 18.399 19.000 -0.015 0.000 1.531 983 A HN 0.212 nan 8.150 nan 0.000 0.541 984 T N 1.752 116.292 114.554 -0.024 0.000 4.622 984 T HA 0.178 4.527 4.350 -0.002 0.000 0.223 984 T C 1.300 175.981 174.700 -0.031 0.000 0.939 984 T CA 0.950 63.033 62.100 -0.028 0.000 1.070 984 T CB -1.471 67.374 68.868 -0.039 0.000 1.391 984 T HN 0.695 nan 8.240 nan 0.000 1.063 985 T N 2.141 116.686 114.554 -0.015 0.000 2.708 985 T HA -0.333 4.016 4.350 -0.002 0.000 0.227 985 T C 1.625 176.317 174.700 -0.014 0.000 1.277 985 T CA 2.221 64.318 62.100 -0.005 0.000 1.075 985 T CB -0.556 68.315 68.868 0.004 0.000 0.791 985 T HN 0.574 nan 8.240 nan 0.000 0.495 986 D N 0.534 120.920 120.400 -0.024 0.000 2.120 986 D HA -0.078 4.561 4.640 -0.002 0.000 0.216 986 D C 2.088 178.345 176.300 -0.072 0.000 0.999 986 D CA 1.444 55.425 54.000 -0.032 0.000 0.903 986 D CB -0.487 40.294 40.800 -0.031 0.000 1.104 986 D HN 0.601 nan 8.370 nan 0.000 0.466 987 E N 0.206 120.329 120.200 -0.127 0.000 2.502 987 E HA -0.068 4.281 4.350 -0.002 0.000 0.194 987 E C 1.304 177.642 176.600 -0.436 0.000 1.062 987 E CA 0.289 56.526 56.400 -0.272 0.000 0.867 987 E CB 0.272 29.825 29.700 -0.245 0.000 0.888 987 E HN 0.293 nan 8.360 nan 0.000 0.510 988 E N -0.417 119.644 120.200 -0.231 0.000 2.330 988 E HA 0.044 4.393 4.350 -0.002 0.000 0.200 988 E C 1.816 178.372 176.600 -0.074 0.000 0.922 988 E CA -0.083 56.211 56.400 -0.177 0.000 0.935 988 E CB 0.195 29.838 29.700 -0.094 0.000 0.917 988 E HN 0.006 nan 8.360 nan 0.000 0.491 989 R N 0.865 121.342 120.500 -0.038 0.000 2.299 989 R HA -0.021 4.318 4.340 -0.002 0.000 0.197 989 R C 1.862 178.200 176.300 0.064 0.000 0.971 989 R CA 0.524 56.637 56.100 0.022 0.000 1.030 989 R CB 0.297 30.612 30.300 0.026 0.000 0.932 989 R HN -0.029 nan 8.270 nan 0.000 0.477 990 Q N -0.592 119.235 119.800 0.044 0.000 2.212 990 Q HA 0.030 4.369 4.340 -0.002 0.000 0.199 990 Q C -0.348 175.876 176.000 0.373 0.000 0.950 990 Q CA 1.056 56.954 55.803 0.158 0.000 0.863 990 Q CB 0.365 29.169 28.738 0.111 0.000 0.944 990 Q HN 0.463 nan 8.270 nan 0.000 0.465 991 H N -0.387 118.788 119.070 0.174 0.000 2.548 991 H HA 0.311 4.866 4.556 -0.001 0.000 0.331 991 H C -0.752 174.675 175.328 0.165 0.000 1.093 991 H CA -0.748 55.437 56.048 0.229 0.000 1.367 991 H CB 0.941 30.753 29.762 0.084 0.000 1.455 991 H HN 0.091 nan 8.280 nan 0.000 0.519 992 L N 4.154 125.554 121.223 0.295 0.000 2.257 992 L HA 0.156 4.495 4.340 -0.002 0.000 0.290 992 L C -0.145 176.819 176.870 0.157 0.000 1.044 992 L CA -0.795 54.162 54.840 0.194 0.000 0.810 992 L CB 0.922 43.080 42.059 0.164 0.000 1.193 992 L HN 0.486 nan 8.230 nan 0.000 0.425 993 Q N 2.584 122.454 119.800 0.116 0.000 2.259 993 Q HA 0.092 4.431 4.340 -0.002 0.000 0.246 993 Q C 0.798 176.832 176.000 0.058 0.000 0.920 993 Q CA -0.247 55.598 55.803 0.070 0.000 0.895 993 Q CB 1.613 30.376 28.738 0.042 0.000 1.220 993 Q HN 0.720 nan 8.270 nan 0.000 0.439 994 E N 0.842 121.062 120.200 0.034 0.000 2.000 994 E HA -0.208 4.141 4.350 -0.002 0.000 0.199 994 E C 1.053 177.676 176.600 0.038 0.000 1.011 994 E CA 2.013 58.440 56.400 0.046 0.000 0.836 994 E CB -0.434 29.252 29.700 -0.024 0.000 0.778 994 E HN 0.444 nan 8.360 nan 0.000 0.462 995 V N -2.342 117.570 119.914 -0.004 0.000 1.963 995 V HA -0.200 3.919 4.120 -0.002 0.000 0.089 995 V C 0.028 176.113 176.094 -0.014 0.000 0.495 995 V CA 1.710 63.982 62.300 -0.047 0.000 1.412 995 V CB -2.250 29.503 31.823 -0.115 0.000 1.645 995 V HN 0.853 nan 8.190 nan 0.000 0.889 996 G N 0.012 108.873 108.800 0.103 0.000 2.608 996 G HA2 0.690 4.649 3.960 -0.002 0.000 0.285 996 G HA3 0.690 4.649 3.960 -0.002 0.000 0.285 996 G C -1.358 173.783 174.900 0.401 0.000 1.407 996 G CA -0.284 44.988 45.100 0.286 0.000 1.276 996 G HN 0.840 nan 8.290 nan 0.000 0.587 997 L N 1.898 123.372 121.223 0.418 0.000 2.431 997 L HA 0.799 5.138 4.340 -0.002 0.000 0.266 997 L C -1.300 175.777 176.870 0.346 0.000 0.978 997 L CA -0.925 54.113 54.840 0.330 0.000 0.822 997 L CB 2.655 44.800 42.059 0.144 0.000 1.310 997 L HN 0.534 nan 8.230 nan 0.000 0.409 998 F N 1.636 121.590 119.950 0.008 0.000 2.639 998 F HA 0.320 4.846 4.527 -0.002 0.000 0.326 998 F C -0.891 174.741 175.800 -0.280 0.000 1.150 998 F CA -0.577 57.257 58.000 -0.278 0.000 1.057 998 F CB 1.136 39.607 39.000 -0.882 0.000 1.300 998 F HN 0.497 nan 8.300 nan 0.000 0.486 999 H N 6.461 124.896 119.070 -1.059 0.000 2.668 999 H HA 0.352 4.907 4.556 -0.002 0.000 0.303 999 H C 0.190 174.805 175.328 -1.188 0.000 1.074 999 H CA 0.305 55.784 56.048 -0.949 0.000 1.406 999 H CB 1.315 30.525 29.762 -0.921 0.000 1.442 999 H HN 0.842 nan 8.280 nan 0.000 0.482 1000 L N 3.757 124.426 121.223 -0.922 0.000 2.200 1000 L HA 0.193 4.532 4.340 -0.002 0.000 0.200 1000 L C 1.342 177.909 176.870 -0.506 0.000 1.072 1000 L CA 1.163 55.728 54.840 -0.458 0.000 0.787 1000 L CB -0.067 41.886 42.059 -0.177 0.000 0.957 1000 L HN 0.996 nan 8.230 nan 0.000 0.459 1001 G N -0.157 108.246 108.800 -0.661 0.000 2.176 1001 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.232 1001 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.232 1001 G C 0.004 174.812 174.900 -0.154 0.000 0.986 1001 G CA 0.035 44.971 45.100 -0.274 0.000 0.643 1001 G HN 0.383 nan 8.290 nan 0.000 0.522 1002 E N -1.120 119.041 120.200 -0.066 0.000 2.355 1002 E HA 0.674 5.023 4.350 -0.002 0.000 0.261 1002 E C -1.298 175.459 176.600 0.262 0.000 0.943 1002 E CA -0.988 55.433 56.400 0.036 0.000 0.806 1002 E CB 1.699 31.456 29.700 0.094 0.000 1.286 1002 E HN 0.184 nan 8.360 nan 0.000 0.424 1003 F N 1.561 121.589 119.950 0.129 0.000 2.325 1003 F HA 0.244 4.771 4.527 -0.002 0.000 0.369 1003 F C -0.628 175.168 175.800 -0.006 0.000 1.095 1003 F CA -0.719 57.389 58.000 0.178 0.000 1.082 1003 F CB 0.696 39.844 39.000 0.247 0.000 1.289 1003 F HN 0.036 nan 8.300 nan 0.000 0.462 1004 V N 6.692 126.420 119.914 -0.310 0.000 2.521 1004 V HA 0.044 4.163 4.120 -0.002 0.000 0.286 1004 V C 0.616 176.443 176.094 -0.445 0.000 1.034 1004 V CA -0.003 62.055 62.300 -0.404 0.000 1.045 1004 V CB 0.754 32.147 31.823 -0.715 0.000 0.974 1004 V HN 0.741 nan 8.190 nan 0.000 0.480 1005 N N 2.626 121.185 118.700 -0.235 0.000 2.322 1005 N HA 0.167 4.906 4.740 -0.002 0.000 0.181 1005 N C -0.176 175.187 175.510 -0.243 0.000 1.088 1005 N CA 0.505 53.463 53.050 -0.153 0.000 0.885 1005 N CB 1.664 40.165 38.487 0.023 0.000 1.013 1005 N HN 0.524 nan 8.380 nan 0.000 0.472 1006 V N 0.144 119.849 119.914 -0.347 0.000 3.000 1006 V HA 0.495 4.614 4.120 -0.002 0.000 0.300 1006 V C -2.020 173.867 176.094 -0.346 0.000 1.251 1006 V CA -0.792 61.344 62.300 -0.273 0.000 0.972 1006 V CB 1.764 33.541 31.823 -0.077 0.000 1.065 1006 V HN -0.086 nan 8.190 nan 0.000 0.431 1007 F N 4.974 124.920 119.950 -0.007 0.000 2.551 1007 F HA 0.845 5.371 4.527 -0.002 0.000 0.316 1007 F C -0.093 175.702 175.800 -0.008 0.000 1.089 1007 F CA -0.431 57.567 58.000 -0.004 0.000 0.915 1007 F CB 2.123 41.084 39.000 -0.064 0.000 1.186 1007 F HN 0.917 nan 8.300 nan 0.000 0.456 1008 C N 0.482 119.895 119.300 0.189 0.000 3.094 1008 C HA 0.354 4.813 4.460 -0.002 0.000 0.414 1008 C C -0.900 174.121 174.990 0.052 0.000 0.993 1008 C CA -1.020 58.068 59.018 0.117 0.000 1.217 1008 C CB 0.123 27.939 27.740 0.127 0.000 1.603 1008 C HN 0.858 nan 8.230 nan 0.000 0.564 1009 H N 1.574 120.696 119.070 0.087 0.000 2.897 1009 H HA 0.524 5.079 4.556 -0.002 0.000 0.347 1009 H C 0.810 176.166 175.328 0.047 0.000 1.068 1009 H CA 2.185 58.267 56.048 0.056 0.000 1.426 1009 H CB 1.213 30.997 29.762 0.037 0.000 1.410 1009 H HN 1.398 nan 8.280 nan 0.000 0.597 1010 G N 0.502 109.382 108.800 0.134 0.000 2.339 1010 G HA2 0.241 4.200 3.960 -0.002 0.000 0.302 1010 G HA3 0.241 4.200 3.960 -0.002 0.000 0.302 1010 G C -1.495 173.437 174.900 0.053 0.000 1.425 1010 G CA -0.359 44.791 45.100 0.083 0.000 0.899 1010 G HN 0.635 nan 8.290 nan 0.000 0.619 1011 S N -1.193 114.530 115.700 0.037 0.000 2.546 1011 S HA 0.671 5.140 4.470 -0.002 0.000 0.274 1011 S C 0.531 175.144 174.600 0.023 0.000 1.121 1011 S CA -0.707 57.510 58.200 0.028 0.000 0.887 1011 S CB 1.615 64.827 63.200 0.021 0.000 1.094 1011 S HN 0.756 nan 8.310 nan 0.000 0.474 1012 L N 3.058 124.297 121.223 0.027 0.000 2.554 1012 L HA 0.246 4.585 4.340 -0.002 0.000 0.225 1012 L C 0.896 177.774 176.870 0.014 0.000 1.104 1012 L CA 0.127 54.981 54.840 0.023 0.000 0.866 1012 L CB 0.410 42.488 42.059 0.032 0.000 1.047 1012 L HN 0.641 nan 8.230 nan 0.000 0.468 1013 V N -3.348 116.571 119.914 0.008 0.000 3.842 1013 V HA 0.614 4.733 4.120 -0.002 0.000 0.281 1013 V C 0.407 176.490 176.094 -0.018 0.000 1.228 1013 V CA -0.995 61.299 62.300 -0.010 0.000 0.897 1013 V CB 0.902 32.712 31.823 -0.022 0.000 1.257 1013 V HN 0.271 nan 8.190 nan 0.000 0.451 1014 M N -0.356 119.226 119.600 -0.031 0.000 7.319 1014 M HA -0.046 4.433 4.480 -0.002 0.000 0.157 1014 M C -0.852 175.422 176.300 -0.044 0.000 0.480 1014 M CA 1.671 56.946 55.300 -0.042 0.000 1.311 1014 M CB -1.223 31.355 32.600 -0.036 0.000 0.421 1014 M HN 1.895 nan 8.290 nan 0.000 0.191 1015 Q N 0.885 120.651 119.800 -0.057 0.000 3.674 1015 Q HA 0.194 4.533 4.340 -0.002 0.000 0.143 1015 Q C -1.139 174.812 176.000 -0.082 0.000 0.906 1015 Q CA 0.044 55.811 55.803 -0.060 0.000 1.336 1015 Q CB -1.519 27.186 28.738 -0.055 0.000 1.234 1015 Q HN 0.919 nan 8.270 nan 0.000 0.643 1016 N N 2.849 121.504 118.700 -0.076 0.000 3.054 1016 N HA -0.186 4.553 4.740 -0.002 0.000 0.305 1016 N C 0.005 175.444 175.510 -0.118 0.000 1.084 1016 N CA 1.053 54.051 53.050 -0.088 0.000 0.842 1016 N CB 0.028 38.472 38.487 -0.070 0.000 0.953 1016 N HN 0.652 nan 8.380 nan 0.000 0.625 1017 L N -0.407 120.723 121.223 -0.154 0.000 2.728 1017 L HA 0.123 4.462 4.340 -0.002 0.000 0.235 1017 L C 1.736 178.474 176.870 -0.220 0.000 1.197 1017 L CA 0.122 54.831 54.840 -0.219 0.000 0.992 1017 L CB -0.348 41.521 42.059 -0.318 0.000 1.263 1017 L HN 0.580 nan 8.230 nan 0.000 0.484 1018 G N 0.824 109.524 108.800 -0.166 0.000 2.196 1018 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.268 1018 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.268 1018 G C 0.365 175.169 174.900 -0.161 0.000 0.975 1018 G CA 0.897 45.903 45.100 -0.157 0.000 0.648 1018 G HN 0.640 nan 8.290 nan 0.000 0.538 1019 E N -0.322 119.775 120.200 -0.172 0.000 2.312 1019 E HA 0.712 5.061 4.350 -0.002 0.000 0.259 1019 E C -0.509 176.023 176.600 -0.113 0.000 1.122 1019 E CA -0.129 56.179 56.400 -0.153 0.000 0.922 1019 E CB 1.302 30.898 29.700 -0.173 0.000 1.109 1019 E HN 0.118 nan 8.360 nan 0.000 0.442 1020 T N 0.462 114.961 114.554 -0.092 0.000 3.159 1020 T HA 0.462 4.811 4.350 -0.002 0.000 0.343 1020 T C -1.542 173.119 174.700 -0.064 0.000 1.364 1020 T CA -0.677 61.377 62.100 -0.077 0.000 1.102 1020 T CB 1.508 70.334 68.868 -0.070 0.000 1.263 1020 T HN 0.561 nan 8.240 nan 0.000 0.477 1021 S N 1.761 117.420 115.700 -0.069 0.000 2.815 1021 S HA 0.442 4.911 4.470 -0.002 0.000 0.307 1021 S C -1.747 172.791 174.600 -0.103 0.000 0.710 1021 S CA -0.565 57.593 58.200 -0.070 0.000 0.706 1021 S CB 0.182 63.355 63.200 -0.045 0.000 0.933 1021 S HN 0.869 nan 8.310 nan 0.000 0.561 1022 T N 6.356 120.822 114.554 -0.146 0.000 3.867 1022 T HA 0.273 4.622 4.350 -0.002 0.000 0.308 1022 T C -2.628 171.879 174.700 -0.322 0.000 0.716 1022 T CA -0.601 61.376 62.100 -0.205 0.000 1.031 1022 T CB 1.530 70.305 68.868 -0.154 0.000 1.062 1022 T HN 0.293 nan 8.240 nan 0.000 0.482 1023 P HA -0.067 nan 4.420 nan 0.000 0.227 1023 P C 0.785 177.604 177.300 -0.801 0.000 1.145 1023 P CA 1.108 63.612 63.100 -0.993 0.000 0.769 1023 P CB -0.039 30.547 31.700 -1.857 0.000 0.769 1024 T N -3.651 110.599 114.554 -0.507 0.000 2.855 1024 T HA 0.431 4.780 4.350 -0.002 0.000 0.281 1024 T C -0.480 174.093 174.700 -0.212 0.000 1.007 1024 T CA -0.851 61.041 62.100 -0.347 0.000 1.009 1024 T CB 1.655 70.335 68.868 -0.312 0.000 0.983 1024 T HN -0.160 nan 8.240 nan 0.000 0.455 1025 Q N 1.245 120.957 119.800 -0.147 0.000 2.333 1025 Q HA 0.564 4.903 4.340 -0.002 0.000 0.268 1025 Q C 0.286 176.250 176.000 -0.060 0.000 1.007 1025 Q CA -0.364 55.382 55.803 -0.095 0.000 0.810 1025 Q CB 1.591 30.281 28.738 -0.079 0.000 1.264 1025 Q HN 1.379 nan 8.270 nan 0.000 0.452 1026 G N 1.555 110.332 108.800 -0.038 0.000 2.712 1026 G HA2 -0.114 3.845 3.960 -0.002 0.000 0.683 1026 G HA3 -0.114 3.845 3.960 -0.002 0.000 0.683 1026 G C -0.899 174.011 174.900 0.016 0.000 1.320 1026 G CA -0.274 44.828 45.100 0.004 0.000 0.847 1026 G HN 0.660 nan 8.290 nan 0.000 0.553 1027 S N -1.225 114.512 115.700 0.061 0.000 2.584 1027 S HA 0.568 5.037 4.470 -0.002 0.000 0.282 1027 S C -0.906 173.712 174.600 0.030 0.000 1.138 1027 S CA 0.165 58.390 58.200 0.042 0.000 0.987 1027 S CB 1.304 64.526 63.200 0.037 0.000 1.137 1027 S HN 1.812 nan 8.310 nan 0.000 0.457 1028 V N 5.976 125.874 119.914 -0.026 0.000 2.604 1028 V HA 0.619 4.738 4.120 -0.002 0.000 0.305 1028 V C -0.371 175.750 176.094 0.045 0.000 1.043 1028 V CA -0.644 61.601 62.300 -0.091 0.000 0.888 1028 V CB 1.750 33.429 31.823 -0.240 0.000 0.995 1028 V HN 0.861 nan 8.190 nan 0.000 0.429 1029 L N 5.030 126.295 121.223 0.069 0.000 2.334 1029 L HA 0.735 5.074 4.340 -0.002 0.000 0.273 1029 L C -0.887 176.098 176.870 0.191 0.000 1.013 1029 L CA -0.570 54.293 54.840 0.038 0.000 0.816 1029 L CB 1.780 43.829 42.059 -0.017 0.000 1.278 1029 L HN 0.735 nan 8.230 nan 0.000 0.431 1030 F N -0.538 119.450 119.950 0.063 0.000 2.578 1030 F HA 0.852 5.378 4.527 -0.002 0.000 0.311 1030 F C -0.066 175.678 175.800 -0.094 0.000 1.094 1030 F CA -1.019 56.949 58.000 -0.054 0.000 0.923 1030 F CB 1.358 40.291 39.000 -0.112 0.000 1.230 1030 F HN 0.348 nan 8.300 nan 0.000 0.450 1031 G N 1.317 110.161 108.800 0.074 0.000 2.379 1031 G HA2 0.563 4.522 3.960 -0.002 0.000 0.327 1031 G HA3 0.563 4.522 3.960 -0.002 0.000 0.327 1031 G C -1.155 173.785 174.900 0.067 0.000 1.145 1031 G CA -0.690 44.431 45.100 0.036 0.000 0.905 1031 G HN 0.790 nan 8.290 nan 0.000 0.466 1032 T N 1.164 115.773 114.554 0.092 0.000 2.948 1032 T HA 0.238 4.587 4.350 -0.002 0.000 0.285 1032 T C 1.593 176.344 174.700 0.085 0.000 1.019 1032 T CA -0.508 61.660 62.100 0.114 0.000 1.013 1032 T CB 1.949 70.901 68.868 0.141 0.000 1.117 1032 T HN 0.127 nan 8.240 nan 0.000 0.533 1033 V N 1.569 121.556 119.914 0.122 0.000 2.490 1033 V HA -0.130 3.989 4.120 -0.002 0.000 0.250 1033 V C 1.888 177.983 176.094 0.002 0.000 1.061 1033 V CA 1.788 64.117 62.300 0.048 0.000 1.064 1033 V CB -0.648 31.183 31.823 0.013 0.000 0.670 1033 V HN 0.762 nan 8.190 nan 0.000 0.461 1034 N N -0.249 118.460 118.700 0.016 0.000 2.461 1034 N HA 0.133 4.872 4.740 -0.002 0.000 0.188 1034 N C 1.221 176.731 175.510 0.001 0.000 1.134 1034 N CA 0.493 53.541 53.050 -0.005 0.000 0.878 1034 N CB 0.251 38.735 38.487 -0.006 0.000 0.972 1034 N HN 0.560 nan 8.380 nan 0.000 0.456 1035 G N 1.363 110.167 108.800 0.006 0.000 2.176 1035 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.252 1035 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.252 1035 G C 0.634 175.533 174.900 -0.001 0.000 1.024 1035 G CA 0.501 45.599 45.100 -0.004 0.000 0.755 1035 G HN 0.290 nan 8.290 nan 0.000 0.507 1036 M N -0.276 119.335 119.600 0.018 0.000 2.218 1036 M HA 0.228 4.707 4.480 -0.002 0.000 0.262 1036 M C 1.249 177.524 176.300 -0.042 0.000 1.081 1036 M CA 2.348 57.656 55.300 0.012 0.000 1.100 1036 M CB -0.140 32.500 32.600 0.066 0.000 1.258 1036 M HN 0.838 nan 8.290 nan 0.000 0.438 1037 I N 0.207 120.723 120.570 -0.089 0.000 6.610 1037 I HA -0.129 4.040 4.170 -0.002 0.000 0.126 1037 I C -0.340 175.507 176.117 -0.450 0.000 1.828 1037 I CA 0.049 61.212 61.300 -0.229 0.000 2.037 1037 I CB -1.539 36.377 38.000 -0.139 0.000 3.516 1037 I HN 0.629 nan 8.210 nan 0.000 0.169 1038 G N 5.169 113.312 108.800 -1.096 0.000 2.600 1038 G HA2 0.862 4.821 3.960 -0.002 0.000 0.303 1038 G HA3 0.862 4.821 3.960 -0.002 0.000 0.303 1038 G C -1.540 172.685 174.900 -1.126 0.000 1.253 1038 G CA -0.697 43.597 45.100 -1.343 0.000 0.974 1038 G HN 0.378 nan 8.290 nan 0.000 0.483 1039 L N 0.079 120.999 121.223 -0.505 0.000 2.341 1039 L HA 0.846 5.184 4.340 -0.002 0.000 0.267 1039 L C -0.829 176.083 176.870 0.069 0.000 1.009 1039 L CA -0.959 53.781 54.840 -0.165 0.000 0.819 1039 L CB 2.357 44.346 42.059 -0.116 0.000 1.323 1039 L HN 0.395 nan 8.230 nan 0.000 0.425 1040 V N 2.236 122.227 119.914 0.129 0.000 2.686 1040 V HA 0.845 4.964 4.120 -0.002 0.000 0.306 1040 V C -0.173 175.961 176.094 0.067 0.000 1.065 1040 V CA -0.064 62.321 62.300 0.141 0.000 0.894 1040 V CB 1.581 33.501 31.823 0.161 0.000 1.004 1040 V HN 1.004 nan 8.190 nan 0.000 0.424 1041 T N 0.520 115.118 114.554 0.075 0.000 2.669 1041 T HA 0.773 5.122 4.350 -0.002 0.000 0.283 1041 T C -0.411 174.281 174.700 -0.014 0.000 1.019 1041 T CA -0.837 61.274 62.100 0.018 0.000 1.039 1041 T CB 2.073 70.944 68.868 0.004 0.000 1.374 1041 T HN 0.547 nan 8.240 nan 0.000 0.523 1042 S N -0.335 115.338 115.700 -0.046 0.000 2.568 1042 S HA 0.837 5.306 4.470 -0.002 0.000 0.293 1042 S C -1.132 173.439 174.600 -0.048 0.000 1.089 1042 S CA -0.786 57.389 58.200 -0.041 0.000 0.945 1042 S CB 1.086 64.251 63.200 -0.059 0.000 1.077 1042 S HN 0.683 nan 8.310 nan 0.000 0.485 1043 L N 1.074 122.317 121.223 0.033 0.000 2.303 1043 L HA 0.642 4.981 4.340 -0.002 0.000 0.256 1043 L C 0.312 177.244 176.870 0.104 0.000 1.034 1043 L CA -0.943 53.906 54.840 0.015 0.000 0.832 1043 L CB 1.892 43.998 42.059 0.078 0.000 1.403 1043 L HN 0.758 nan 8.230 nan 0.000 0.419 1044 S N -0.670 115.090 115.700 0.099 0.000 2.608 1044 S HA 0.067 4.536 4.470 -0.002 0.000 0.261 1044 S C 0.867 175.360 174.600 -0.177 0.000 1.314 1044 S CA -0.169 58.072 58.200 0.069 0.000 0.992 1044 S CB 0.838 64.137 63.200 0.164 0.000 0.935 1044 S HN 0.786 nan 8.310 nan 0.000 0.564 1045 E N 0.707 120.664 120.200 -0.405 0.000 2.338 1045 E HA -0.132 4.217 4.350 -0.002 0.000 0.197 1045 E C 1.625 178.015 176.600 -0.350 0.000 1.007 1045 E CA 1.423 57.271 56.400 -0.920 0.000 0.849 1045 E CB -0.547 28.839 29.700 -0.524 0.000 0.774 1045 E HN 0.576 nan 8.360 nan 0.000 0.506 1046 S N -0.193 115.422 115.700 -0.142 0.000 2.335 1046 S HA -0.095 4.374 4.470 -0.002 0.000 0.217 1046 S C 1.650 176.188 174.600 -0.103 0.000 1.032 1046 S CA 1.101 59.236 58.200 -0.109 0.000 0.985 1046 S CB -0.587 62.554 63.200 -0.097 0.000 0.896 1046 S HN 0.476 nan 8.310 nan 0.000 0.445 1047 W N 0.781 122.027 121.300 -0.090 0.000 2.358 1047 W HA -0.023 4.636 4.660 -0.002 0.000 0.303 1047 W C 2.289 178.772 176.519 -0.059 0.000 1.208 1047 W CA 1.089 58.393 57.345 -0.067 0.000 1.274 1047 W CB -1.138 28.277 29.460 -0.075 0.000 1.138 1047 W HN 0.470 nan 8.180 nan 0.000 0.515 1048 Y N 2.056 122.379 120.300 0.039 0.000 2.014 1048 Y HA -0.421 4.128 4.550 -0.001 0.000 0.272 1048 Y C 2.345 178.243 175.900 -0.003 0.000 1.164 1048 Y CA 2.495 60.594 58.100 -0.002 0.000 1.114 1048 Y CB -0.974 37.369 38.460 -0.195 0.000 0.961 1048 Y HN -0.131 nan 8.280 nan 0.000 0.489 1049 N N 0.628 119.387 118.700 0.099 0.000 2.037 1049 N HA -0.287 4.452 4.740 -0.002 0.000 0.196 1049 N C 2.059 177.537 175.510 -0.053 0.000 1.034 1049 N CA 1.855 54.929 53.050 0.040 0.000 0.861 1049 N CB -1.050 37.448 38.487 0.017 0.000 1.039 1049 N HN 0.548 nan 8.380 nan 0.000 0.427 1050 L N 0.948 122.122 121.223 -0.082 0.000 2.012 1050 L HA -0.134 4.205 4.340 -0.002 0.000 0.210 1050 L C 2.038 178.853 176.870 -0.092 0.000 1.073 1050 L CA 1.221 56.001 54.840 -0.099 0.000 0.748 1050 L CB -0.204 41.757 42.059 -0.163 0.000 0.891 1050 L HN 0.128 nan 8.230 nan 0.000 0.431 1051 L N -0.888 120.285 121.223 -0.083 0.000 2.217 1051 L HA -0.203 4.136 4.340 -0.002 0.000 0.211 1051 L C 2.475 179.274 176.870 -0.118 0.000 1.107 1051 L CA 0.711 55.509 54.840 -0.070 0.000 0.783 1051 L CB -0.445 41.619 42.059 0.008 0.000 0.919 1051 L HN 0.372 nan 8.230 nan 0.000 0.442 1052 L N -0.015 121.083 121.223 -0.208 0.000 2.093 1052 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 1052 L C 2.294 179.133 176.870 -0.052 0.000 1.085 1052 L CA 1.347 56.088 54.840 -0.165 0.000 0.755 1052 L CB -0.182 41.764 42.059 -0.189 0.000 0.904 1052 L HN 0.314 nan 8.230 nan 0.000 0.435 1053 D N -0.366 120.006 120.400 -0.048 0.000 2.097 1053 D HA -0.225 4.414 4.640 -0.002 0.000 0.197 1053 D C 2.280 178.561 176.300 -0.033 0.000 0.984 1053 D CA 1.203 55.190 54.000 -0.023 0.000 0.826 1053 D CB 0.060 40.844 40.800 -0.027 0.000 0.973 1053 D HN 0.050 nan 8.370 nan 0.000 0.460 1054 M N 0.409 119.971 119.600 -0.063 0.000 2.089 1054 M HA -0.221 4.258 4.480 -0.002 0.000 0.257 1054 M C 2.194 178.466 176.300 -0.047 0.000 1.071 1054 M CA 1.644 56.894 55.300 -0.082 0.000 1.096 1054 M CB -1.024 31.509 32.600 -0.113 0.000 1.330 1054 M HN 0.248 nan 8.290 nan 0.000 0.403 1055 Q N -0.597 119.181 119.800 -0.035 0.000 2.084 1055 Q HA -0.166 4.173 4.340 -0.002 0.000 0.202 1055 Q C 1.797 177.795 176.000 -0.004 0.000 0.978 1055 Q CA 1.288 57.072 55.803 -0.032 0.000 0.844 1055 Q CB -0.240 28.489 28.738 -0.016 0.000 0.898 1055 Q HN 0.567 nan 8.270 nan 0.000 0.426 1056 N N 0.699 119.411 118.700 0.020 0.000 2.120 1056 N HA -0.125 4.614 4.740 -0.002 0.000 0.188 1056 N C 1.688 177.221 175.510 0.038 0.000 1.024 1056 N CA 1.115 54.191 53.050 0.043 0.000 0.852 1056 N CB -0.178 38.338 38.487 0.048 0.000 1.003 1056 N HN 0.210 nan 8.380 nan 0.000 0.424 1057 R N 0.292 120.805 120.500 0.022 0.000 2.066 1057 R HA -0.015 4.324 4.340 -0.002 0.000 0.232 1057 R C 2.113 178.439 176.300 0.043 0.000 1.131 1057 R CA 0.660 56.777 56.100 0.028 0.000 0.955 1057 R CB -0.471 29.836 30.300 0.012 0.000 0.851 1057 R HN 0.088 nan 8.270 nan 0.000 0.432 1058 L N 1.511 122.757 121.223 0.040 0.000 2.083 1058 L HA -0.125 4.214 4.340 -0.002 0.000 0.209 1058 L C 1.407 178.316 176.870 0.064 0.000 1.083 1058 L CA 1.758 56.639 54.840 0.067 0.000 0.752 1058 L CB -0.513 41.586 42.059 0.067 0.000 0.899 1058 L HN 0.125 nan 8.230 nan 0.000 0.433 1059 N N -0.303 118.425 118.700 0.047 0.000 2.381 1059 N HA -0.134 4.605 4.740 -0.002 0.000 0.182 1059 N C 1.657 177.225 175.510 0.097 0.000 1.025 1059 N CA 0.806 53.905 53.050 0.082 0.000 0.888 1059 N CB -0.004 38.536 38.487 0.089 0.000 0.965 1059 N HN 0.472 nan 8.380 nan 0.000 0.438 1060 K N -0.028 120.417 120.400 0.075 0.000 2.167 1060 K HA 0.041 4.360 4.320 -0.002 0.000 0.203 1060 K C 1.797 178.432 176.600 0.058 0.000 1.052 1060 K CA 0.560 56.886 56.287 0.066 0.000 0.956 1060 K CB 0.327 32.860 32.500 0.055 0.000 0.735 1060 K HN -0.054 nan 8.250 nan 0.000 0.451 1061 V N 1.547 121.496 119.914 0.059 0.000 2.341 1061 V HA -0.064 4.055 4.120 -0.002 0.000 0.240 1061 V C 1.119 177.240 176.094 0.045 0.000 1.035 1061 V CA 0.286 62.615 62.300 0.048 0.000 1.033 1061 V CB -0.105 31.751 31.823 0.054 0.000 0.678 1061 V HN 0.220 nan 8.190 nan 0.000 0.464 1062 I N 3.044 123.650 120.570 0.060 0.000 3.114 1062 I HA -0.130 4.039 4.170 -0.002 0.000 0.320 1062 I C 0.694 176.831 176.117 0.034 0.000 1.230 1062 I CA 0.957 62.289 61.300 0.054 0.000 1.440 1062 I CB -0.598 37.462 38.000 0.101 0.000 1.334 1062 I HN 0.548 nan 8.210 nan 0.000 0.532 1063 K N 4.632 125.027 120.400 -0.008 0.000 2.263 1063 K HA 0.333 4.652 4.320 -0.002 0.000 0.282 1063 K C 0.061 176.609 176.600 -0.086 0.000 1.089 1063 K CA -0.439 55.827 56.287 -0.036 0.000 0.907 1063 K CB 1.003 33.475 32.500 -0.046 0.000 1.148 1063 K HN 0.442 nan 8.250 nan 0.000 0.470 1064 S N 3.260 118.900 115.700 -0.100 0.000 2.548 1064 S HA 0.063 4.532 4.470 -0.002 0.000 0.277 1064 S C 1.318 175.785 174.600 -0.222 0.000 1.315 1064 S CA -0.845 57.211 58.200 -0.240 0.000 1.050 1064 S CB 0.625 63.712 63.200 -0.188 0.000 0.918 1064 S HN 0.469 nan 8.310 nan 0.000 0.497 1065 V N 5.674 125.426 119.914 -0.270 0.000 2.282 1065 V HA -0.147 3.972 4.120 -0.002 0.000 0.227 1065 V C 2.568 178.568 176.094 -0.157 0.000 0.985 1065 V CA 2.268 64.455 62.300 -0.188 0.000 1.002 1065 V CB -1.494 30.216 31.823 -0.189 0.000 0.655 1065 V HN 1.063 nan 8.190 nan 0.000 0.484 1066 G N -0.948 107.764 108.800 -0.147 0.000 2.601 1066 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.214 1066 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.214 1066 G C 0.837 175.638 174.900 -0.166 0.000 1.132 1066 G CA 0.863 45.901 45.100 -0.103 0.000 0.761 1066 G HN 0.720 nan 8.290 nan 0.000 0.550 1067 K N -1.434 118.843 120.400 -0.205 0.000 3.251 1067 K HA -0.147 4.172 4.320 -0.002 0.000 0.282 1067 K C 0.096 176.633 176.600 -0.106 0.000 1.201 1067 K CA 0.214 56.348 56.287 -0.254 0.000 0.827 1067 K CB -1.587 30.529 32.500 -0.639 0.000 1.286 1067 K HN 0.417 nan 8.250 nan 0.000 0.503 1068 I N 1.656 122.228 120.570 0.004 0.000 2.575 1068 I HA 0.037 4.206 4.170 -0.002 0.000 0.285 1068 I C 1.042 177.340 176.117 0.302 0.000 1.085 1068 I CA -0.141 61.249 61.300 0.150 0.000 1.403 1068 I CB 0.673 38.796 38.000 0.205 0.000 1.409 1068 I HN 0.060 nan 8.210 nan 0.000 0.557 1069 E N 3.764 124.141 120.200 0.295 0.000 2.313 1069 E HA 0.023 4.372 4.350 -0.002 0.000 0.276 1069 E C 0.380 177.215 176.600 0.392 0.000 1.031 1069 E CA -0.200 56.396 56.400 0.327 0.000 0.857 1069 E CB 1.316 31.160 29.700 0.240 0.000 1.040 1069 E HN 0.507 nan 8.360 nan 0.000 0.408 1070 H N 2.779 121.972 119.070 0.205 0.000 2.267 1070 H HA -0.181 4.374 4.556 -0.002 0.000 0.297 1070 H C 2.142 177.502 175.328 0.053 0.000 1.080 1070 H CA 2.689 58.710 56.048 -0.044 0.000 1.278 1070 H CB 0.007 29.700 29.762 -0.115 0.000 1.365 1070 H HN 0.534 nan 8.280 nan 0.000 0.489 1071 S N -0.557 115.209 115.700 0.111 0.000 2.402 1071 S HA -0.253 4.216 4.470 -0.002 0.000 0.233 1071 S C 2.182 176.798 174.600 0.026 0.000 1.030 1071 S CA 1.391 59.622 58.200 0.051 0.000 1.003 1071 S CB -1.014 62.269 63.200 0.137 0.000 0.813 1071 S HN 0.486 nan 8.310 nan 0.000 0.477 1072 F N 1.983 121.937 119.950 0.006 0.000 2.128 1072 F HA 0.060 4.587 4.527 -0.002 0.000 0.295 1072 F C 2.312 178.113 175.800 0.000 0.000 1.100 1072 F CA 1.174 59.183 58.000 0.015 0.000 1.260 1072 F CB -0.721 38.319 39.000 0.068 0.000 1.009 1072 F HN 0.418 nan 8.300 nan 0.000 0.476 1073 W N 1.690 122.843 121.300 -0.245 0.000 2.335 1073 W HA -0.212 4.447 4.660 -0.001 0.000 0.311 1073 W C 1.486 177.732 176.519 -0.455 0.000 1.213 1073 W CA 1.082 58.219 57.345 -0.346 0.000 1.274 1073 W CB -0.259 29.093 29.460 -0.180 0.000 1.148 1073 W HN -0.121 nan 8.180 nan 0.000 0.498 1074 R N 1.069 121.055 120.500 -0.856 0.000 2.313 1074 R HA -0.002 4.337 4.340 -0.002 0.000 0.199 1074 R C 1.007 176.886 176.300 -0.701 0.000 0.958 1074 R CA 0.767 56.202 56.100 -1.109 0.000 1.047 1074 R CB -0.914 28.783 30.300 -1.005 0.000 0.955 1074 R HN 0.127 nan 8.270 nan 0.000 0.481 1075 S N 0.367 115.787 115.700 -0.467 0.000 2.528 1075 S HA 0.144 4.613 4.470 -0.002 0.000 0.277 1075 S C 0.117 174.598 174.600 -0.199 0.000 1.297 1075 S CA -0.785 57.270 58.200 -0.242 0.000 1.052 1075 S CB 0.461 63.573 63.200 -0.146 0.000 0.917 1075 S HN 0.176 nan 8.310 nan 0.000 0.492 1076 F N 3.476 123.321 119.950 -0.174 0.000 2.579 1076 F HA 0.150 4.676 4.527 -0.002 0.000 0.397 1076 F C 0.447 176.209 175.800 -0.063 0.000 1.027 1076 F CA 1.295 59.239 58.000 -0.094 0.000 1.217 1076 F CB 0.132 39.106 39.000 -0.043 0.000 0.986 1076 F HN 0.926 nan 8.300 nan 0.000 0.551 1077 H N 3.195 122.013 119.070 -0.420 0.000 2.954 1077 H HA 0.477 5.032 4.556 -0.002 0.000 0.361 1077 H C -1.022 174.133 175.328 -0.288 0.000 1.122 1077 H CA -0.089 55.794 56.048 -0.274 0.000 1.217 1077 H CB 1.756 31.287 29.762 -0.385 0.000 1.776 1077 H HN 0.698 nan 8.280 nan 0.000 0.533 1078 T N 2.104 116.187 114.554 -0.786 0.000 2.821 1078 T HA 0.171 4.520 4.350 -0.002 0.000 0.306 1078 T C 0.640 175.013 174.700 -0.545 0.000 1.313 1078 T CA -0.456 61.303 62.100 -0.568 0.000 1.012 1078 T CB 1.684 70.419 68.868 -0.221 0.000 1.298 1078 T HN 0.648 nan 8.240 nan 0.000 0.502 1079 E N 0.960 120.982 120.200 -0.296 0.000 2.267 1079 E HA -0.072 4.277 4.350 -0.002 0.000 0.197 1079 E C 1.580 178.144 176.600 -0.061 0.000 0.998 1079 E CA 1.506 57.832 56.400 -0.125 0.000 0.830 1079 E CB -0.004 29.663 29.700 -0.054 0.000 0.751 1079 E HN 0.487 nan 8.360 nan 0.000 0.491 1080 R N 1.061 121.526 120.500 -0.059 0.000 1.583 1080 R HA 0.106 4.445 4.340 -0.002 0.000 0.125 1080 R C 0.245 176.558 176.300 0.022 0.000 0.977 1080 R CA 1.352 57.453 56.100 0.002 0.000 1.738 1080 R CB -0.542 29.775 30.300 0.028 0.000 0.679 1080 R HN 0.112 nan 8.270 nan 0.000 0.652 1081 K N -0.752 119.679 120.400 0.053 0.000 2.118 1081 K HA 0.321 4.640 4.320 -0.002 0.000 0.240 1081 K C -0.963 175.722 176.600 0.140 0.000 1.035 1081 K CA -0.258 56.078 56.287 0.081 0.000 0.899 1081 K CB 0.755 33.288 32.500 0.055 0.000 1.085 1081 K HN 0.255 nan 8.250 nan 0.000 0.498 1082 T N 1.273 115.923 114.554 0.160 0.000 3.509 1082 T HA 0.179 4.528 4.350 -0.002 0.000 0.330 1082 T C -1.620 173.165 174.700 0.142 0.000 0.851 1082 T CA -0.850 61.377 62.100 0.212 0.000 1.057 1082 T CB 0.625 69.644 68.868 0.252 0.000 1.023 1082 T HN 0.583 nan 8.240 nan 0.000 0.470 1083 E N 2.322 122.610 120.200 0.148 0.000 2.359 1083 E HA 0.526 4.875 4.350 -0.002 0.000 0.266 1083 E C -2.884 173.767 176.600 0.084 0.000 0.920 1083 E CA -2.634 53.817 56.400 0.086 0.000 0.788 1083 E CB 1.574 31.290 29.700 0.027 0.000 1.279 1083 E HN 0.192 nan 8.360 nan 0.000 0.438 1084 P HA 0.112 nan 4.420 nan 0.000 0.271 1084 P C -0.739 176.614 177.300 0.089 0.000 1.218 1084 P CA -0.004 63.135 63.100 0.065 0.000 0.780 1084 P CB 0.517 32.263 31.700 0.078 0.000 0.901 1085 A N 2.501 125.372 122.820 0.085 0.000 2.483 1085 A HA 0.533 4.852 4.320 -0.002 0.000 0.238 1085 A C 0.218 177.943 177.584 0.235 0.000 1.070 1085 A CA 0.634 52.771 52.037 0.166 0.000 0.770 1085 A CB -0.522 18.569 19.000 0.151 0.000 1.008 1085 A HN 0.628 nan 8.150 nan 0.000 0.497 1086 T N -1.901 112.839 114.554 0.311 0.000 2.885 1086 T HA 0.610 4.959 4.350 -0.002 0.000 0.322 1086 T C 0.667 175.589 174.700 0.371 0.000 1.387 1086 T CA 0.098 62.382 62.100 0.307 0.000 1.041 1086 T CB 1.140 70.114 68.868 0.176 0.000 1.287 1086 T HN 2.415 nan 8.240 nan 0.000 0.491 1087 G N 0.556 109.523 108.800 0.280 0.000 2.267 1087 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.257 1087 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.257 1087 G C -0.195 174.771 174.900 0.109 0.000 0.998 1087 G CA 0.181 45.312 45.100 0.053 0.000 0.620 1087 G HN 0.780 nan 8.290 nan 0.000 0.529 1088 F N 0.611 120.736 119.950 0.292 0.000 2.492 1088 F HA 0.772 5.298 4.527 -0.002 0.000 0.327 1088 F C 0.305 176.202 175.800 0.161 0.000 1.079 1088 F CA -1.289 56.795 58.000 0.141 0.000 0.967 1088 F CB 1.588 40.493 39.000 -0.158 0.000 1.169 1088 F HN -0.125 nan 8.300 nan 0.000 0.472 1089 I N 2.095 122.784 120.570 0.198 0.000 2.410 1089 I HA 0.122 4.291 4.170 -0.002 0.000 0.286 1089 I C -0.577 175.504 176.117 -0.061 0.000 1.009 1089 I CA -0.686 60.673 61.300 0.098 0.000 1.111 1089 I CB 1.318 39.402 38.000 0.140 0.000 1.262 1089 I HN 0.468 nan 8.210 nan 0.000 0.443 1090 D N 5.216 125.660 120.400 0.072 0.000 2.367 1090 D HA 0.113 4.752 4.640 -0.002 0.000 0.255 1090 D C 1.433 177.669 176.300 -0.106 0.000 1.300 1090 D CA 0.168 54.199 54.000 0.051 0.000 0.959 1090 D CB 1.043 42.070 40.800 0.378 0.000 1.064 1090 D HN 0.772 nan 8.370 nan 0.000 0.509 1091 G N 3.448 111.968 108.800 -0.465 0.000 2.470 1091 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.220 1091 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.220 1091 G C 1.257 176.113 174.900 -0.073 0.000 1.121 1091 G CA 0.162 44.973 45.100 -0.482 0.000 0.766 1091 G HN 0.413 nan 8.290 nan 0.000 0.553 1092 D N 0.131 120.523 120.400 -0.013 0.000 2.097 1092 D HA -0.066 4.573 4.640 -0.002 0.000 0.197 1092 D C 2.395 178.773 176.300 0.130 0.000 0.984 1092 D CA 0.258 54.312 54.000 0.090 0.000 0.826 1092 D CB -0.252 40.639 40.800 0.152 0.000 0.973 1092 D HN 0.255 nan 8.370 nan 0.000 0.460 1093 L N 0.439 121.741 121.223 0.131 0.000 2.046 1093 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 1093 L C 2.048 178.978 176.870 0.101 0.000 1.077 1093 L CA 0.842 55.740 54.840 0.097 0.000 0.747 1093 L CB -0.058 41.967 42.059 -0.057 0.000 0.896 1093 L HN 0.025 nan 8.230 nan 0.000 0.432 1094 I N 0.053 120.684 120.570 0.101 0.000 2.179 1094 I HA -0.308 3.861 4.170 -0.002 0.000 0.242 1094 I C 2.365 178.602 176.117 0.201 0.000 1.088 1094 I CA 1.522 62.907 61.300 0.142 0.000 1.357 1094 I CB -1.185 36.933 38.000 0.195 0.000 1.051 1094 I HN 0.376 nan 8.210 nan 0.000 0.409 1095 E N 0.722 121.036 120.200 0.190 0.000 2.265 1095 E HA -0.171 4.178 4.350 -0.002 0.000 0.196 1095 E C 2.141 178.845 176.600 0.173 0.000 0.996 1095 E CA 1.349 57.866 56.400 0.194 0.000 0.832 1095 E CB 0.050 29.859 29.700 0.181 0.000 0.756 1095 E HN 0.540 nan 8.360 nan 0.000 0.491 1096 S N 0.050 115.847 115.700 0.162 0.000 2.481 1096 S HA -0.131 4.338 4.470 -0.002 0.000 0.231 1096 S C 1.702 176.374 174.600 0.120 0.000 0.996 1096 S CA 0.136 58.410 58.200 0.122 0.000 0.942 1096 S CB -0.366 62.906 63.200 0.120 0.000 0.768 1096 S HN 0.368 nan 8.310 nan 0.000 0.520 1097 F N 2.555 122.528 119.950 0.038 0.000 2.171 1097 F HA 0.134 4.660 4.527 -0.002 0.000 0.300 1097 F C 1.576 177.386 175.800 0.016 0.000 1.090 1097 F CA 1.114 59.128 58.000 0.024 0.000 1.293 1097 F CB -0.314 38.700 39.000 0.023 0.000 1.013 1097 F HN 0.162 nan 8.300 nan 0.000 0.486 1098 L N 0.046 121.245 121.223 -0.040 0.000 2.622 1098 L HA -0.067 4.272 4.340 -0.002 0.000 0.233 1098 L C 0.614 177.391 176.870 -0.154 0.000 1.156 1098 L CA 0.562 55.318 54.840 -0.140 0.000 0.866 1098 L CB -0.547 41.532 42.059 0.032 0.000 0.980 1098 L HN 0.089 nan 8.230 nan 0.000 0.448 1099 D N -0.811 119.510 120.400 -0.131 0.000 2.469 1099 D HA 0.204 4.843 4.640 -0.002 0.000 0.215 1099 D C 0.511 176.738 176.300 -0.121 0.000 1.154 1099 D CA 0.055 53.997 54.000 -0.096 0.000 0.832 1099 D CB 1.067 41.844 40.800 -0.038 0.000 1.008 1099 D HN -0.012 nan 8.370 nan 0.000 0.506 1100 I N 1.098 121.548 120.570 -0.200 0.000 2.440 1100 I HA 0.079 4.248 4.170 -0.002 0.000 0.294 1100 I C 0.984 176.988 176.117 -0.189 0.000 0.995 1100 I CA -0.492 60.700 61.300 -0.180 0.000 1.306 1100 I CB 1.485 39.367 38.000 -0.197 0.000 1.407 1100 I HN -0.174 nan 8.210 nan 0.000 0.501 1101 S N 5.905 121.533 115.700 -0.120 0.000 2.558 1101 S HA -0.016 4.453 4.470 -0.002 0.000 0.293 1101 S C 1.611 176.149 174.600 -0.104 0.000 1.292 1101 S CA -0.217 57.925 58.200 -0.097 0.000 1.063 1101 S CB 0.420 63.581 63.200 -0.065 0.000 0.831 1101 S HN 0.489 nan 8.310 nan 0.000 0.499 1102 R N 4.341 124.788 120.500 -0.090 0.000 2.134 1102 R HA -0.139 4.200 4.340 -0.002 0.000 0.248 1102 R C -0.824 175.450 176.300 -0.042 0.000 1.143 1102 R CA 2.254 58.311 56.100 -0.071 0.000 0.957 1102 R CB -2.257 28.017 30.300 -0.045 0.000 0.867 1102 R HN 0.610 nan 8.270 nan 0.000 0.441 1103 P HA -0.063 nan 4.420 nan 0.000 0.217 1103 P C 1.028 178.323 177.300 -0.008 0.000 1.151 1103 P CA 1.203 64.295 63.100 -0.014 0.000 0.828 1103 P CB -0.030 31.661 31.700 -0.014 0.000 0.788 1104 K N -0.771 119.617 120.400 -0.021 0.000 2.148 1104 K HA -0.006 4.313 4.320 -0.002 0.000 0.204 1104 K C 1.978 178.588 176.600 0.016 0.000 1.050 1104 K CA 1.265 57.547 56.287 -0.009 0.000 0.942 1104 K CB -0.375 32.110 32.500 -0.025 0.000 0.724 1104 K HN 0.221 nan 8.250 nan 0.000 0.446 1105 M N 0.547 120.141 119.600 -0.011 0.000 2.296 1105 M HA -0.158 4.321 4.480 -0.002 0.000 0.265 1105 M C 1.885 178.266 176.300 0.134 0.000 1.064 1105 M CA 1.489 56.834 55.300 0.077 0.000 1.109 1105 M CB -0.287 32.279 32.600 -0.056 0.000 1.396 1105 M HN 0.134 nan 8.290 nan 0.000 0.430 1106 Q N 0.446 120.285 119.800 0.065 0.000 2.172 1106 Q HA -0.105 4.234 4.340 -0.002 0.000 0.200 1106 Q C 1.767 177.798 176.000 0.052 0.000 0.964 1106 Q CA 0.969 56.806 55.803 0.057 0.000 0.855 1106 Q CB -0.099 28.659 28.738 0.033 0.000 0.918 1106 Q HN 0.607 nan 8.270 nan 0.000 0.444 1107 E N 0.454 120.682 120.200 0.047 0.000 2.077 1107 E HA -0.102 4.247 4.350 -0.002 0.000 0.193 1107 E C 0.757 177.389 176.600 0.054 0.000 0.989 1107 E CA 0.672 57.097 56.400 0.041 0.000 0.800 1107 E CB 0.135 29.856 29.700 0.035 0.000 0.746 1107 E HN 0.064 nan 8.360 nan 0.000 0.452 1108 V N 0.418 120.381 119.914 0.081 0.000 3.385 1108 V HA -0.106 4.013 4.120 -0.002 0.000 0.301 1108 V C 1.597 177.735 176.094 0.074 0.000 1.082 1108 V CA 0.307 62.661 62.300 0.091 0.000 1.085 1108 V CB 1.592 33.517 31.823 0.169 0.000 1.152 1108 V HN 0.200 nan 8.190 nan 0.000 0.465 1109 V N -0.435 119.499 119.914 0.033 0.000 1.328 1109 V HA -0.352 3.767 4.120 -0.002 0.000 0.046 1109 V C 1.793 177.898 176.094 0.019 0.000 1.825 1109 V CA 2.035 64.341 62.300 0.010 0.000 2.663 1109 V CB -2.252 29.591 31.823 0.034 0.000 1.538 1109 V HN 1.334 nan 8.190 nan 0.000 0.947 1110 A N 1.868 124.705 122.820 0.029 0.000 2.977 1110 A HA -0.297 4.022 4.320 -0.002 0.000 0.202 1110 A C 1.436 179.032 177.584 0.020 0.000 0.949 1110 A CA 2.422 54.474 52.037 0.025 0.000 1.099 1110 A CB -0.799 18.216 19.000 0.026 0.000 0.716 1110 A HN 1.239 nan 8.150 nan 0.000 0.540 1111 N N 0.596 119.307 118.700 0.018 0.000 2.530 1111 N HA 0.054 4.793 4.740 -0.002 0.000 0.216 1111 N C -0.122 175.396 175.510 0.014 0.000 1.315 1111 N CA 0.164 53.223 53.050 0.016 0.000 0.858 1111 N CB -0.526 37.970 38.487 0.015 0.000 1.138 1111 N HN 0.538 nan 8.380 nan 0.000 0.473 1112 L N 0.422 121.654 121.223 0.014 0.000 2.325 1112 L HA 0.251 4.590 4.340 -0.002 0.000 0.279 1112 L C -0.494 176.392 176.870 0.027 0.000 1.054 1112 L CA -0.631 54.217 54.840 0.013 0.000 0.804 1112 L CB 1.216 43.275 42.059 0.001 0.000 1.200 1112 L HN 0.105 nan 8.230 nan 0.000 0.436 1113 Q N 3.984 123.802 119.800 0.029 0.000 2.348 1113 Q HA 0.272 4.611 4.340 -0.002 0.000 0.265 1113 Q C -1.606 174.434 176.000 0.068 0.000 0.998 1113 Q CA -0.398 55.427 55.803 0.037 0.000 0.831 1113 Q CB 1.979 30.721 28.738 0.006 0.000 1.251 1113 Q HN 0.440 nan 8.270 nan 0.000 0.456 1114 Y N 3.718 123.982 120.300 -0.061 0.000 2.330 1114 Y HA 0.238 4.787 4.550 -0.002 0.000 0.336 1114 Y C -0.755 175.097 175.900 -0.079 0.000 1.036 1114 Y CA -1.234 56.816 58.100 -0.084 0.000 1.125 1114 Y CB 0.987 39.397 38.460 -0.082 0.000 1.194 1114 Y HN 0.606 nan 8.280 nan 0.000 0.469 1115 D N 5.314 125.286 120.400 -0.714 0.000 2.217 1115 D HA 0.213 4.852 4.640 -0.002 0.000 0.243 1115 D C -1.525 174.258 176.300 -0.862 0.000 1.054 1115 D CA -0.595 53.038 54.000 -0.610 0.000 0.838 1115 D CB 2.092 42.684 40.800 -0.346 0.000 1.162 1115 D HN 0.653 nan 8.370 nan 0.000 0.472 1116 D N 1.329 121.417 120.400 -0.520 0.000 2.696 1116 D HA 0.397 5.036 4.640 -0.002 0.000 0.251 1116 D C 0.972 177.160 176.300 -0.186 0.000 1.188 1116 D CA -0.312 53.478 54.000 -0.351 0.000 0.876 1116 D CB 1.396 42.073 40.800 -0.206 0.000 1.334 1116 D HN 0.667 nan 8.370 nan 0.000 0.540 1117 G N 3.201 111.915 108.800 -0.143 0.000 2.614 1117 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.303 1117 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.303 1117 G C 0.461 175.306 174.900 -0.091 0.000 1.270 1117 G CA 1.051 46.096 45.100 -0.091 0.000 0.988 1117 G HN 1.333 nan 8.290 nan 0.000 0.551 1118 S N -0.043 115.618 115.700 -0.066 0.000 2.625 1118 S HA 0.510 4.979 4.470 -0.002 0.000 0.262 1118 S C 1.574 176.136 174.600 -0.063 0.000 1.223 1118 S CA 0.722 58.887 58.200 -0.058 0.000 0.993 1118 S CB 0.528 63.704 63.200 -0.040 0.000 1.051 1118 S HN 2.643 nan 8.310 nan 0.000 0.562 1119 G N 0.962 109.732 108.800 -0.051 0.000 2.046 1119 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.245 1119 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.245 1119 G C -0.061 174.804 174.900 -0.059 0.000 0.738 1119 G CA 1.142 46.215 45.100 -0.046 0.000 1.089 1119 G HN 0.659 nan 8.290 nan 0.000 0.355 1120 M N -0.401 119.152 119.600 -0.078 0.000 2.323 1120 M HA 0.701 5.180 4.480 -0.002 0.000 0.217 1120 M C 1.437 177.689 176.300 -0.081 0.000 0.710 1120 M CA -0.348 54.891 55.300 -0.103 0.000 1.815 1120 M CB 0.045 32.545 32.600 -0.167 0.000 1.133 1120 M HN 0.201 nan 8.290 nan 0.000 0.892 1121 K N 0.282 120.625 120.400 -0.096 0.000 3.391 1121 K HA -0.178 4.141 4.320 -0.002 0.000 0.307 1121 K C -0.703 175.877 176.600 -0.033 0.000 1.304 1121 K CA 0.731 56.982 56.287 -0.061 0.000 0.904 1121 K CB -0.765 31.707 32.500 -0.048 0.000 1.293 1121 K HN 0.807 nan 8.250 nan 0.000 0.470 1122 R N 0.184 120.666 120.500 -0.029 0.000 2.531 1122 R HA 0.317 4.656 4.340 -0.002 0.000 0.260 1122 R C -0.208 176.110 176.300 0.030 0.000 1.144 1122 R CA -0.909 55.191 56.100 0.001 0.000 1.171 1122 R CB 0.371 30.674 30.300 0.005 0.000 1.199 1122 R HN -0.052 nan 8.270 nan 0.000 0.594 1123 E N 0.060 120.281 120.200 0.035 0.000 2.442 1123 E HA 0.064 4.413 4.350 -0.002 0.000 0.262 1123 E C -0.341 176.302 176.600 0.072 0.000 1.004 1123 E CA 0.392 56.818 56.400 0.043 0.000 0.928 1123 E CB 0.965 30.684 29.700 0.032 0.000 0.937 1123 E HN 0.621 nan 8.360 nan 0.000 0.446 1124 A N 2.969 125.827 122.820 0.064 0.000 2.322 1124 A HA 0.481 4.800 4.320 -0.002 0.000 0.269 1124 A C 0.090 177.687 177.584 0.023 0.000 1.094 1124 A CA -0.224 51.846 52.037 0.056 0.000 0.807 1124 A CB 0.723 19.734 19.000 0.019 0.000 1.047 1124 A HN 0.497 nan 8.150 nan 0.000 0.487 1125 T N 0.534 115.082 114.554 -0.010 0.000 2.924 1125 T HA 0.531 4.880 4.350 -0.002 0.000 0.291 1125 T C 1.340 176.047 174.700 0.012 0.000 1.045 1125 T CA 0.209 62.315 62.100 0.009 0.000 1.015 1125 T CB 1.787 70.667 68.868 0.020 0.000 1.103 1125 T HN 0.943 nan 8.240 nan 0.000 0.496 1126 A N 0.891 123.750 122.820 0.064 0.000 1.969 1126 A HA -0.073 4.246 4.320 -0.002 0.000 0.218 1126 A C 1.821 179.492 177.584 0.145 0.000 1.169 1126 A CA 1.475 53.599 52.037 0.146 0.000 0.635 1126 A CB -0.433 18.631 19.000 0.107 0.000 0.810 1126 A HN 0.849 nan 8.150 nan 0.000 0.445 1127 D N -0.127 120.320 120.400 0.079 0.000 2.149 1127 D HA -0.107 4.532 4.640 -0.002 0.000 0.201 1127 D C 1.118 177.434 176.300 0.026 0.000 0.972 1127 D CA 1.292 55.340 54.000 0.079 0.000 0.835 1127 D CB -0.265 40.580 40.800 0.075 0.000 0.966 1127 D HN 0.353 nan 8.370 nan 0.000 0.476 1128 D N 0.726 121.092 120.400 -0.056 0.000 2.106 1128 D HA -0.128 4.511 4.640 -0.002 0.000 0.191 1128 D C 2.091 178.193 176.300 -0.330 0.000 0.997 1128 D CA 0.438 54.297 54.000 -0.235 0.000 0.834 1128 D CB -0.206 40.358 40.800 -0.393 0.000 0.956 1128 D HN 0.093 nan 8.370 nan 0.000 0.448 1129 L N 0.462 121.518 121.223 -0.278 0.000 2.141 1129 L HA -0.037 4.302 4.340 -0.002 0.000 0.209 1129 L C 2.312 179.146 176.870 -0.060 0.000 1.094 1129 L CA 0.896 55.545 54.840 -0.318 0.000 0.763 1129 L CB -0.787 40.943 42.059 -0.548 0.000 0.908 1129 L HN 0.172 nan 8.230 nan 0.000 0.437 1130 I N -0.035 120.638 120.570 0.171 0.000 2.163 1130 I HA -0.369 3.800 4.170 -0.002 0.000 0.243 1130 I C 2.624 178.816 176.117 0.126 0.000 1.085 1130 I CA 1.297 62.748 61.300 0.251 0.000 1.347 1130 I CB -0.212 37.896 38.000 0.180 0.000 1.044 1130 I HN 0.240 nan 8.210 nan 0.000 0.408 1131 K N 0.876 121.319 120.400 0.073 0.000 2.009 1131 K HA -0.195 4.124 4.320 -0.002 0.000 0.210 1131 K C 2.013 178.662 176.600 0.081 0.000 1.049 1131 K CA 1.887 58.219 56.287 0.075 0.000 0.929 1131 K CB -0.127 32.412 32.500 0.065 0.000 0.714 1131 K HN 0.093 nan 8.250 nan 0.000 0.440 1132 V N 0.570 120.510 119.914 0.043 0.000 2.237 1132 V HA -0.257 3.862 4.120 -0.002 0.000 0.245 1132 V C 2.359 178.529 176.094 0.126 0.000 1.046 1132 V CA 1.913 64.281 62.300 0.113 0.000 1.007 1132 V CB -0.418 31.404 31.823 -0.001 0.000 0.638 1132 V HN 0.212 nan 8.190 nan 0.000 0.445 1133 V N -0.419 119.542 119.914 0.079 0.000 2.343 1133 V HA -0.232 3.887 4.120 -0.002 0.000 0.247 1133 V C 2.627 178.795 176.094 0.123 0.000 1.051 1133 V CA 1.911 64.285 62.300 0.124 0.000 1.036 1133 V CB -0.728 31.213 31.823 0.196 0.000 0.654 1133 V HN 0.529 nan 8.190 nan 0.000 0.451 1134 E N 0.164 120.430 120.200 0.109 0.000 2.130 1134 E HA -0.282 4.067 4.350 -0.002 0.000 0.196 1134 E C 2.240 178.863 176.600 0.038 0.000 0.998 1134 E CA 1.828 58.267 56.400 0.066 0.000 0.806 1134 E CB -0.030 29.700 29.700 0.050 0.000 0.738 1134 E HN 0.756 nan 8.360 nan 0.000 0.459 1135 E N -0.200 120.028 120.200 0.046 0.000 2.076 1135 E HA -0.042 4.307 4.350 -0.002 0.000 0.190 1135 E C 2.202 178.783 176.600 -0.032 0.000 0.979 1135 E CA 0.275 56.678 56.400 0.006 0.000 0.807 1135 E CB 0.016 29.732 29.700 0.027 0.000 0.761 1135 E HN 0.175 nan 8.360 nan 0.000 0.454 1136 L N 0.783 121.996 121.223 -0.017 0.000 2.549 1136 L HA -0.112 4.227 4.340 -0.002 0.000 0.230 1136 L C 2.305 179.223 176.870 0.079 0.000 1.162 1136 L CA 1.308 56.115 54.840 -0.055 0.000 0.834 1136 L CB -0.377 41.659 42.059 -0.039 0.000 0.947 1136 L HN 0.346 nan 8.230 nan 0.000 0.452 1137 T N -4.619 109.982 114.554 0.079 0.000 3.054 1137 T HA -0.020 4.329 4.350 -0.002 0.000 0.259 1137 T C 1.832 176.500 174.700 -0.053 0.000 1.092 1137 T CA -0.088 62.065 62.100 0.089 0.000 1.121 1137 T CB -0.036 68.858 68.868 0.044 0.000 0.912 1137 T HN 0.106 nan 8.240 nan 0.000 0.489 1138 R N 1.163 121.632 120.500 -0.053 0.000 2.339 1138 R HA 0.233 4.572 4.340 -0.002 0.000 0.199 1138 R C 1.690 177.954 176.300 -0.059 0.000 1.018 1138 R CA 0.023 56.069 56.100 -0.090 0.000 1.036 1138 R CB -0.727 29.528 30.300 -0.075 0.000 0.899 1138 R HN 0.442 nan 8.270 nan 0.000 0.473 1139 I N 1.009 121.596 120.570 0.028 0.000 2.614 1139 I HA -0.135 4.034 4.170 -0.002 0.000 0.258 1139 I C 1.169 177.383 176.117 0.162 0.000 1.189 1139 I CA 1.159 62.516 61.300 0.095 0.000 1.462 1139 I CB -0.980 37.115 38.000 0.158 0.000 1.092 1139 I HN 0.215 nan 8.210 nan 0.000 0.442 1140 H N 0.000 119.073 119.070 0.005 0.000 2.539 1140 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 1140 H CA 0.000 56.049 56.048 0.002 0.000 1.023 1140 H CB 0.000 29.763 29.762 0.002 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496