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 3n2b_1_C DATA FIRST_RESID -6 DATA SEQUENCE LYFQSNAMDY FNYQEDGQLW AEQVPLADLA NQYGTPLYVY SRATLERHWH DATA SEQUENCE AFDKSVGDYP HLICYAVKAN SNLGVLNTLA RLGSGFDIVS VGELERVLAA DATA SEQUENCE GGDPSKVVFS GVGKTEAEMK RALQLKIKCF NVESEPELQR LNKVAGELGV DATA SEQUENCE KAPISLRINP DVDAKTHPYI STGLRDNKFG ITFDRAAQVY RLAHSLPNLD DATA SEQUENCE VHGIDCHIGS QLTALAPFID ATDRLLALID SLKAEGIHIR HLDVGGGLGV DATA SEQUENCE VXXXXXXXQP SEYAKALLDR LERHRDLELI FEPGRAIAAN AGVLVTKVEF DATA SEQUENCE LKHTEHKNFA IIDAAMNDLI RXXXXXXWQD IIPLRPRQGE AQTYDLVGPV DATA SEQUENCE CETSDFLGKD RDLVLQEGDL LAVRSSGAYG FTMSSNYNTR PRVAEVMVDG DATA SEQUENCE NKTYLVRQRE ELSSLWALES VLPE 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 -6 L HA 0.000 nan 4.340 nan 0.000 0.249 -6 L C 0.000 176.667 176.870 -0.338 0.000 1.165 -6 L CA 0.000 54.678 54.840 -0.271 0.000 0.813 -6 L CB 0.000 42.007 42.059 -0.087 0.000 0.961 -5 Y N 4.217 124.547 120.300 0.050 0.000 2.746 -5 Y HA 0.314 4.863 4.550 -0.001 0.000 0.312 -5 Y C 0.385 176.313 175.900 0.047 0.000 1.117 -5 Y CA -0.583 57.539 58.100 0.036 0.000 1.324 -5 Y CB -0.078 38.385 38.460 0.004 0.000 1.173 -5 Y HN 0.465 nan 8.280 nan 0.000 0.529 -4 F N 2.747 122.711 119.950 0.023 0.000 2.629 -4 F HA 0.022 4.549 4.527 0.000 0.000 0.377 -4 F C 0.479 176.272 175.800 -0.012 0.000 1.101 -4 F CA -0.214 57.772 58.000 -0.024 0.000 1.301 -4 F CB 0.602 39.577 39.000 -0.042 0.000 1.062 -4 F HN 0.169 nan 8.300 nan 0.000 0.583 -3 Q N 4.342 123.775 119.800 -0.610 0.000 2.230 -3 Q HA 0.499 4.837 4.340 -0.003 0.000 0.248 -3 Q C -0.518 175.244 176.000 -0.396 0.000 0.915 -3 Q CA -0.687 54.894 55.803 -0.370 0.000 0.900 -3 Q CB 1.745 30.324 28.738 -0.265 0.000 1.229 -3 Q HN 0.780 nan 8.270 nan 0.000 0.439 -2 S N 0.936 116.520 115.700 -0.192 0.000 2.720 -2 S HA 0.724 5.193 4.470 -0.003 0.000 0.287 -2 S C -1.086 173.434 174.600 -0.133 0.000 1.168 -2 S CA -0.965 57.112 58.200 -0.204 0.000 0.832 -2 S CB 1.558 64.623 63.200 -0.225 0.000 1.166 -2 S HN 0.803 nan 8.310 nan 0.000 0.493 -1 N N -1.278 117.337 118.700 -0.142 0.000 2.647 -1 N HA 0.694 5.432 4.740 -0.003 0.000 0.266 -1 N C 0.434 175.907 175.510 -0.061 0.000 1.373 -1 N CA -0.568 52.450 53.050 -0.054 0.000 0.807 -1 N CB 0.930 39.425 38.487 0.013 0.000 1.513 -1 N HN 0.743 nan 8.380 nan 0.000 0.505 0 A N -0.291 122.527 122.820 -0.003 0.000 2.015 0 A HA -0.022 4.296 4.320 -0.003 0.000 0.219 0 A C 1.497 179.118 177.584 0.062 0.000 1.163 0 A CA 1.133 53.176 52.037 0.010 0.000 0.646 0 A CB -0.652 18.369 19.000 0.036 0.000 0.806 0 A HN 0.652 nan 8.150 nan 0.000 0.448 1 M N -0.212 119.461 119.600 0.122 0.000 2.412 1 M HA 0.161 4.640 4.480 -0.003 0.000 0.263 1 M C 0.255 176.762 176.300 0.345 0.000 1.122 1 M CA 0.993 56.448 55.300 0.259 0.000 1.179 1 M CB -1.121 31.613 32.600 0.223 0.000 1.335 1 M HN 0.640 nan 8.290 nan 0.000 0.465 2 D N -2.567 117.962 120.400 0.216 0.000 2.759 2 D HA 0.194 4.833 4.640 -0.003 0.000 0.321 2 D C -0.854 175.472 176.300 0.042 0.000 1.267 2 D CA -0.609 53.549 54.000 0.264 0.000 0.933 2 D CB 0.345 41.427 40.800 0.470 0.000 1.431 2 D HN 0.040 nan 8.370 nan 0.000 0.504 3 Y N -0.974 119.278 120.300 -0.080 0.000 2.683 3 Y HA 0.371 4.920 4.550 -0.002 0.000 0.297 3 Y C -0.423 175.299 175.900 -0.296 0.000 1.147 3 Y CA -0.633 57.377 58.100 -0.150 0.000 1.274 3 Y CB 0.094 38.467 38.460 -0.144 0.000 1.143 3 Y HN 0.087 nan 8.280 nan 0.000 0.527 4 F N 1.267 121.305 119.950 0.147 0.000 2.313 4 F HA 0.371 4.896 4.527 -0.004 0.000 0.369 4 F C -0.010 175.756 175.800 -0.057 0.000 1.109 4 F CA -0.712 57.322 58.000 0.057 0.000 1.132 4 F CB 0.340 39.360 39.000 0.032 0.000 1.291 4 F HN 0.048 nan 8.300 nan 0.000 0.496 5 N N 1.546 120.263 118.700 0.029 0.000 2.329 5 N HA 0.265 5.003 4.740 -0.003 0.000 0.282 5 N C -1.344 174.095 175.510 -0.118 0.000 1.198 5 N CA -0.805 52.182 53.050 -0.104 0.000 0.790 5 N CB 1.912 40.319 38.487 -0.134 0.000 1.579 5 N HN 0.221 nan 8.380 nan 0.000 0.475 6 Y N 0.883 121.210 120.300 0.045 0.000 2.346 6 Y HA 0.174 4.728 4.550 0.006 0.000 0.330 6 Y C 1.099 176.968 175.900 -0.050 0.000 1.178 6 Y CA 0.153 58.292 58.100 0.064 0.000 1.331 6 Y CB 0.649 39.142 38.460 0.055 0.000 1.253 6 Y HN 0.170 nan 8.280 nan 0.000 0.529 7 Q N 1.045 120.918 119.800 0.121 0.000 2.962 7 Q HA 0.157 4.495 4.340 -0.003 0.000 0.282 7 Q C 0.858 176.855 176.000 -0.004 0.000 1.058 7 Q CA -0.659 55.070 55.803 -0.124 0.000 0.854 7 Q CB 0.691 29.092 28.738 -0.563 0.000 1.441 7 Q HN 0.842 nan 8.270 nan 0.000 0.497 8 E N 0.305 120.470 120.200 -0.058 0.000 2.472 8 E HA -0.152 4.196 4.350 -0.003 0.000 0.200 8 E C 0.123 176.757 176.600 0.057 0.000 1.046 8 E CA 1.265 57.664 56.400 -0.002 0.000 0.871 8 E CB 0.040 29.725 29.700 -0.025 0.000 0.806 8 E HN 0.510 nan 8.360 nan 0.000 0.533 9 D N 0.009 120.488 120.400 0.132 0.000 2.339 9 D HA 0.073 4.711 4.640 -0.003 0.000 0.217 9 D C 1.329 177.732 176.300 0.171 0.000 1.050 9 D CA 0.527 54.632 54.000 0.176 0.000 0.856 9 D CB 0.354 41.317 40.800 0.272 0.000 0.922 9 D HN 0.308 nan 8.370 nan 0.000 0.518 10 G N 0.577 109.479 108.800 0.170 0.000 2.157 10 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.239 10 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.239 10 G C 0.008 175.035 174.900 0.211 0.000 0.982 10 G CA 0.342 45.522 45.100 0.134 0.000 0.650 10 G HN 0.720 nan 8.290 nan 0.000 0.527 11 Q N -0.941 119.065 119.800 0.344 0.000 2.496 11 Q HA 0.849 5.187 4.340 -0.003 0.000 0.286 11 Q C -0.679 175.631 176.000 0.516 0.000 1.103 11 Q CA -1.370 54.661 55.803 0.381 0.000 0.813 11 Q CB 1.900 30.758 28.738 0.201 0.000 1.444 11 Q HN 0.455 nan 8.270 nan 0.000 0.443 12 L N 1.484 122.883 121.223 0.293 0.000 2.290 12 L HA 0.437 4.775 4.340 -0.003 0.000 0.284 12 L C -1.612 175.362 176.870 0.172 0.000 1.078 12 L CA 0.235 55.111 54.840 0.060 0.000 0.815 12 L CB 0.296 42.252 42.059 -0.171 0.000 1.162 12 L HN 0.635 nan 8.230 nan 0.000 0.435 13 W N 3.818 125.114 121.300 -0.008 0.000 2.689 13 W HA 0.721 5.378 4.660 -0.006 0.000 0.340 13 W C -0.396 176.184 176.519 0.101 0.000 1.060 13 W CA -0.809 56.572 57.345 0.060 0.000 1.218 13 W CB 1.796 31.297 29.460 0.068 0.000 1.410 13 W HN 0.637 nan 8.180 nan 0.000 0.528 14 A N 3.077 126.086 122.820 0.314 0.000 2.341 14 A HA 0.595 4.913 4.320 -0.003 0.000 0.326 14 A C 0.375 178.047 177.584 0.146 0.000 1.402 14 A CA -0.041 52.084 52.037 0.147 0.000 0.957 14 A CB -0.199 18.936 19.000 0.226 0.000 1.151 14 A HN 0.869 nan 8.150 nan 0.000 0.533 15 E N 0.887 121.193 120.200 0.177 0.000 3.213 15 E HA -0.322 4.026 4.350 -0.003 0.000 0.374 15 E C 0.154 177.045 176.600 0.486 0.000 1.500 15 E CA 1.950 58.533 56.400 0.306 0.000 1.497 15 E CB -0.639 29.080 29.700 0.032 0.000 1.692 15 E HN 0.848 nan 8.360 nan 0.000 0.494 16 Q N 0.523 120.509 119.800 0.310 0.000 2.237 16 Q HA 0.332 4.670 4.340 -0.003 0.000 0.252 16 Q C -1.008 175.313 176.000 0.534 0.000 0.877 16 Q CA -0.171 55.893 55.803 0.435 0.000 1.011 16 Q CB 0.961 29.787 28.738 0.148 0.000 1.118 16 Q HN 0.064 nan 8.270 nan 0.000 0.458 17 V N 1.680 121.842 119.914 0.414 0.000 2.525 17 V HA 0.343 4.462 4.120 -0.003 0.000 0.299 17 V C -2.479 173.502 176.094 -0.188 0.000 1.034 17 V CA -2.472 59.868 62.300 0.067 0.000 0.863 17 V CB 1.928 33.757 31.823 0.009 0.000 0.999 17 V HN 0.077 nan 8.190 nan 0.000 0.423 18 P HA 0.232 nan 4.420 nan 0.000 0.271 18 P C 0.983 178.068 177.300 -0.358 0.000 1.220 18 P CA 0.024 62.560 63.100 -0.940 0.000 0.768 18 P CB 0.797 31.848 31.700 -1.082 0.000 0.848 19 L N 2.883 123.986 121.223 -0.200 0.000 2.079 19 L HA -0.255 4.084 4.340 -0.003 0.000 0.210 19 L C 2.365 179.176 176.870 -0.098 0.000 1.081 19 L CA 1.946 56.738 54.840 -0.079 0.000 0.752 19 L CB -0.837 41.208 42.059 -0.023 0.000 0.896 19 L HN 0.422 nan 8.230 nan 0.000 0.433 20 A N -0.096 122.645 122.820 -0.131 0.000 1.940 20 A HA -0.260 4.058 4.320 -0.003 0.000 0.219 20 A C 1.867 179.389 177.584 -0.103 0.000 1.176 20 A CA 2.138 54.112 52.037 -0.104 0.000 0.631 20 A CB -0.530 18.410 19.000 -0.100 0.000 0.814 20 A HN 0.374 nan 8.150 nan 0.000 0.446 21 D N 0.041 120.356 120.400 -0.142 0.000 2.144 21 D HA -0.108 4.530 4.640 -0.003 0.000 0.199 21 D C 1.902 178.166 176.300 -0.059 0.000 0.984 21 D CA 1.027 54.957 54.000 -0.116 0.000 0.834 21 D CB -0.335 40.376 40.800 -0.149 0.000 0.955 21 D HN 0.491 nan 8.370 nan 0.000 0.465 22 L N 0.445 121.655 121.223 -0.021 0.000 2.056 22 L HA -0.085 4.253 4.340 -0.003 0.000 0.207 22 L C 2.508 179.439 176.870 0.100 0.000 1.078 22 L CA 1.030 55.928 54.840 0.097 0.000 0.749 22 L CB -0.462 41.640 42.059 0.073 0.000 0.901 22 L HN -0.023 nan 8.230 nan 0.000 0.433 23 A N 0.271 123.099 122.820 0.013 0.000 1.902 23 A HA -0.271 4.047 4.320 -0.003 0.000 0.217 23 A C 2.152 179.724 177.584 -0.021 0.000 1.181 23 A CA 2.112 54.146 52.037 -0.004 0.000 0.623 23 A CB -0.902 18.075 19.000 -0.038 0.000 0.818 23 A HN 0.559 nan 8.150 nan 0.000 0.443 24 N N -0.979 117.693 118.700 -0.047 0.000 2.244 24 N HA -0.212 4.526 4.740 -0.003 0.000 0.183 24 N C 1.971 177.416 175.510 -0.109 0.000 1.016 24 N CA 1.447 54.455 53.050 -0.070 0.000 0.866 24 N CB -0.095 38.347 38.487 -0.074 0.000 0.980 24 N HN 0.740 nan 8.380 nan 0.000 0.430 25 Q N -1.010 118.699 119.800 -0.152 0.000 2.204 25 Q HA -0.072 4.266 4.340 -0.003 0.000 0.198 25 Q C 0.522 176.233 176.000 -0.481 0.000 0.946 25 Q CA 1.010 56.599 55.803 -0.357 0.000 0.859 25 Q CB 0.209 28.644 28.738 -0.506 0.000 0.946 25 Q HN 0.456 nan 8.270 nan 0.000 0.474 26 Y N -0.773 119.498 120.300 -0.048 0.000 2.481 26 Y HA 0.382 4.930 4.550 -0.003 0.000 0.247 26 Y C 0.715 176.590 175.900 -0.042 0.000 1.151 26 Y CA 0.223 58.297 58.100 -0.043 0.000 1.238 26 Y CB 1.269 39.701 38.460 -0.047 0.000 1.179 26 Y HN 0.226 nan 8.280 nan 0.000 0.524 27 G N 0.956 109.791 108.800 0.058 0.000 2.829 27 G HA2 -0.078 3.880 3.960 -0.003 0.000 0.628 27 G HA3 -0.078 3.880 3.960 -0.003 0.000 0.628 27 G C -0.241 174.665 174.900 0.011 0.000 1.412 27 G CA -0.361 44.750 45.100 0.018 0.000 0.864 27 G HN 0.401 nan 8.290 nan 0.000 0.544 28 T N -0.820 113.723 114.554 -0.019 0.000 2.924 28 T HA 0.804 5.152 4.350 -0.003 0.000 0.291 28 T C -2.652 172.025 174.700 -0.039 0.000 1.045 28 T CA -1.377 60.697 62.100 -0.043 0.000 1.015 28 T CB 2.426 71.256 68.868 -0.065 0.000 1.103 28 T HN 0.584 nan 8.240 nan 0.000 0.496 29 P HA 0.538 nan 4.420 nan 0.000 0.272 29 P C -1.255 175.992 177.300 -0.088 0.000 1.230 29 P CA -0.678 62.366 63.100 -0.094 0.000 0.788 29 P CB 0.373 32.008 31.700 -0.109 0.000 0.949 30 L N 2.058 123.186 121.223 -0.159 0.000 2.505 30 L HA 0.423 4.761 4.340 -0.003 0.000 0.266 30 L C -1.697 175.020 176.870 -0.255 0.000 0.954 30 L CA -0.664 54.091 54.840 -0.142 0.000 0.852 30 L CB 1.186 43.188 42.059 -0.094 0.000 1.282 30 L HN 0.199 nan 8.230 nan 0.000 0.403 31 Y N 4.079 124.257 120.300 -0.204 0.000 2.336 31 Y HA 0.567 5.115 4.550 -0.002 0.000 0.335 31 Y C -0.022 175.546 175.900 -0.552 0.000 1.046 31 Y CA -0.118 57.769 58.100 -0.355 0.000 1.198 31 Y CB 1.513 39.739 38.460 -0.390 0.000 1.182 31 Y HN 0.322 nan 8.280 nan 0.000 0.502 32 V N 5.381 125.094 119.914 -0.336 0.000 2.444 32 V HA 0.313 4.432 4.120 -0.003 0.000 0.294 32 V C -0.997 175.049 176.094 -0.081 0.000 1.022 32 V CA -1.207 60.950 62.300 -0.239 0.000 0.850 32 V CB 0.537 32.346 31.823 -0.022 0.000 0.992 32 V HN 0.466 nan 8.190 nan 0.000 0.426 33 Y N 1.761 122.179 120.300 0.196 0.000 2.420 33 Y HA 0.604 5.153 4.550 -0.003 0.000 0.334 33 Y C 0.685 176.697 175.900 0.186 0.000 1.094 33 Y CA -1.169 57.068 58.100 0.228 0.000 1.126 33 Y CB 1.935 40.456 38.460 0.102 0.000 1.217 33 Y HN 0.548 nan 8.280 nan 0.000 0.462 34 S N 2.976 118.881 115.700 0.341 0.000 2.438 34 S HA 0.286 4.754 4.470 -0.003 0.000 0.316 34 S C 1.167 175.785 174.600 0.030 0.000 1.084 34 S CA -0.754 57.471 58.200 0.041 0.000 1.107 34 S CB 0.492 63.559 63.200 -0.223 0.000 0.981 34 S HN 0.852 nan 8.310 nan 0.000 0.466 35 R N 4.006 124.497 120.500 -0.015 0.000 2.091 35 R HA -0.096 4.243 4.340 -0.003 0.000 0.238 35 R C 2.080 178.323 176.300 -0.095 0.000 1.136 35 R CA 1.837 57.919 56.100 -0.030 0.000 0.959 35 R CB -0.673 29.621 30.300 -0.011 0.000 0.856 35 R HN 0.775 nan 8.270 nan 0.000 0.437 36 A N -0.117 122.555 122.820 -0.246 0.000 1.972 36 A HA -0.112 4.207 4.320 -0.003 0.000 0.219 36 A C 2.117 179.592 177.584 -0.181 0.000 1.169 36 A CA 1.906 53.701 52.037 -0.404 0.000 0.635 36 A CB -0.694 17.661 19.000 -1.075 0.000 0.810 36 A HN 0.467 nan 8.150 nan 0.000 0.446 37 T N 0.419 114.957 114.554 -0.027 0.000 2.737 37 T HA -0.072 4.277 4.350 -0.003 0.000 0.265 37 T C 1.823 176.700 174.700 0.295 0.000 1.038 37 T CA 1.380 63.655 62.100 0.291 0.000 1.144 37 T CB -0.358 68.720 68.868 0.349 0.000 0.866 37 T HN 0.360 nan 8.240 nan 0.000 0.434 38 L N 0.648 121.970 121.223 0.165 0.000 2.046 38 L HA -0.129 4.210 4.340 -0.003 0.000 0.208 38 L C 2.768 179.716 176.870 0.130 0.000 1.077 38 L CA 1.527 56.440 54.840 0.121 0.000 0.747 38 L CB -0.500 41.551 42.059 -0.013 0.000 0.896 38 L HN 0.353 nan 8.230 nan 0.000 0.432 39 E N -0.486 119.760 120.200 0.078 0.000 2.072 39 E HA -0.247 4.101 4.350 -0.003 0.000 0.191 39 E C 2.224 178.969 176.600 0.241 0.000 0.985 39 E CA 0.802 57.263 56.400 0.101 0.000 0.801 39 E CB -0.119 29.629 29.700 0.080 0.000 0.750 39 E HN 0.336 nan 8.360 nan 0.000 0.452 40 R N 0.646 121.266 120.500 0.200 0.000 2.083 40 R HA -0.187 4.152 4.340 -0.003 0.000 0.237 40 R C 2.085 178.444 176.300 0.099 0.000 1.137 40 R CA 1.567 57.759 56.100 0.153 0.000 0.951 40 R CB -0.195 30.151 30.300 0.078 0.000 0.851 40 R HN 0.325 nan 8.270 nan 0.000 0.434 41 H N -1.514 117.684 119.070 0.212 0.000 2.395 41 H HA -0.149 4.405 4.556 -0.003 0.000 0.299 41 H C 1.660 177.103 175.328 0.193 0.000 1.070 41 H CA 1.486 57.646 56.048 0.187 0.000 1.356 41 H CB -0.373 29.489 29.762 0.166 0.000 1.401 41 H HN 0.423 nan 8.280 nan 0.000 0.524 42 W N 1.850 123.214 121.300 0.107 0.000 2.379 42 W HA -0.169 4.489 4.660 -0.003 0.000 0.307 42 W C 2.535 179.069 176.519 0.025 0.000 1.200 42 W CA 1.438 58.774 57.345 -0.014 0.000 1.297 42 W CB -0.295 29.048 29.460 -0.194 0.000 1.140 42 W HN 0.181 nan 8.180 nan 0.000 0.507 43 H N -0.186 119.113 119.070 0.381 0.000 2.353 43 H HA -0.105 4.449 4.556 -0.003 0.000 0.300 43 H C 2.234 177.577 175.328 0.024 0.000 1.090 43 H CA 1.912 58.090 56.048 0.217 0.000 1.327 43 H CB -1.094 28.809 29.762 0.236 0.000 1.383 43 H HN 0.293 nan 8.280 nan 0.000 0.508 44 A N 0.659 123.573 122.820 0.158 0.000 1.908 44 A HA -0.190 4.128 4.320 -0.003 0.000 0.218 44 A C 2.381 179.939 177.584 -0.042 0.000 1.181 44 A CA 1.358 53.424 52.037 0.047 0.000 0.627 44 A CB -1.065 17.963 19.000 0.046 0.000 0.818 44 A HN 0.348 nan 8.150 nan 0.000 0.445 45 F N 0.551 120.392 119.950 -0.182 0.000 2.084 45 F HA -0.162 4.363 4.527 -0.003 0.000 0.296 45 F C 2.059 177.592 175.800 -0.445 0.000 1.111 45 F CA 2.088 59.900 58.000 -0.313 0.000 1.224 45 F CB -0.199 38.595 39.000 -0.343 0.000 0.991 45 F HN 0.368 nan 8.300 nan 0.000 0.471 46 D N -0.012 120.227 120.400 -0.269 0.000 2.104 46 D HA -0.209 4.430 4.640 -0.003 0.000 0.194 46 D C 2.017 178.197 176.300 -0.200 0.000 0.994 46 D CA 1.699 55.496 54.000 -0.338 0.000 0.830 46 D CB -0.086 40.336 40.800 -0.631 0.000 0.959 46 D HN 0.230 nan 8.370 nan 0.000 0.452 47 K N -0.255 120.075 120.400 -0.118 0.000 2.217 47 K HA -0.059 4.259 4.320 -0.003 0.000 0.202 47 K C 2.226 178.733 176.600 -0.155 0.000 1.051 47 K CA 1.080 57.322 56.287 -0.075 0.000 0.952 47 K CB -0.092 32.400 32.500 -0.014 0.000 0.736 47 K HN 0.190 nan 8.250 nan 0.000 0.453 48 S N 0.579 116.130 115.700 -0.250 0.000 2.442 48 S HA -0.082 4.386 4.470 -0.003 0.000 0.236 48 S C 1.965 176.363 174.600 -0.336 0.000 1.007 48 S CA 0.863 58.884 58.200 -0.299 0.000 0.965 48 S CB -0.362 62.589 63.200 -0.415 0.000 0.773 48 S HN 0.013 nan 8.310 nan 0.000 0.504 49 V N 1.484 121.140 119.914 -0.431 0.000 2.871 49 V HA 0.261 4.379 4.120 -0.003 0.000 0.256 49 V C 1.837 177.811 176.094 -0.199 0.000 1.082 49 V CA 0.685 62.739 62.300 -0.411 0.000 1.105 49 V CB -1.740 29.653 31.823 -0.717 0.000 0.713 49 V HN 0.930 nan 8.190 nan 0.000 0.473 50 G N 0.753 109.467 108.800 -0.144 0.000 2.553 50 G HA2 -0.368 3.591 3.960 -0.003 0.000 0.242 50 G HA3 -0.368 3.591 3.960 -0.003 0.000 0.242 50 G C 0.322 175.272 174.900 0.083 0.000 1.277 50 G CA 0.327 45.419 45.100 -0.013 0.000 0.910 50 G HN 0.384 nan 8.290 nan 0.000 0.576 51 D N -1.039 119.431 120.400 0.118 0.000 2.371 51 D HA 0.066 4.704 4.640 -0.003 0.000 0.221 51 D C 0.955 177.374 176.300 0.198 0.000 0.986 51 D CA 0.461 54.547 54.000 0.144 0.000 0.899 51 D CB -0.105 40.754 40.800 0.097 0.000 0.902 51 D HN 0.487 nan 8.370 nan 0.000 0.530 52 Y N 1.489 121.863 120.300 0.123 0.000 2.620 52 Y HA 0.159 4.707 4.550 -0.003 0.000 0.330 52 Y C -1.962 174.111 175.900 0.289 0.000 1.186 52 Y CA -2.207 55.988 58.100 0.158 0.000 1.467 52 Y CB 0.446 38.981 38.460 0.126 0.000 1.262 52 Y HN 0.021 nan 8.280 nan 0.000 0.550 53 P HA -0.006 nan 4.420 nan 0.000 0.261 53 P C -1.113 176.371 177.300 0.307 0.000 1.183 53 P CA 1.028 64.142 63.100 0.023 0.000 0.761 53 P CB 0.223 31.823 31.700 -0.167 0.000 0.785 54 H N 1.874 121.049 119.070 0.174 0.000 2.932 54 H HA 0.664 5.218 4.556 -0.003 0.000 0.307 54 H C -2.159 173.276 175.328 0.179 0.000 1.391 54 H CA -1.121 55.074 56.048 0.245 0.000 1.130 54 H CB 1.121 31.108 29.762 0.375 0.000 1.836 54 H HN 0.274 nan 8.280 nan 0.000 0.522 55 L N 1.548 122.912 121.223 0.236 0.000 2.464 55 L HA 0.423 4.762 4.340 -0.003 0.000 0.266 55 L C -1.560 175.466 176.870 0.260 0.000 0.965 55 L CA -0.728 54.189 54.840 0.130 0.000 0.833 55 L CB 1.765 43.852 42.059 0.047 0.000 1.296 55 L HN 0.570 nan 8.230 nan 0.000 0.405 56 I N 4.308 125.000 120.570 0.204 0.000 2.301 56 I HA 0.215 4.383 4.170 -0.003 0.000 0.292 56 I C -0.345 175.816 176.117 0.073 0.000 1.046 56 I CA -0.160 61.218 61.300 0.129 0.000 1.282 56 I CB 0.688 38.644 38.000 -0.074 0.000 1.409 56 I HN 0.588 nan 8.210 nan 0.000 0.484 57 C N 7.626 126.955 119.300 0.048 0.000 2.136 57 C HA 0.168 4.626 4.460 -0.003 0.000 0.381 57 C C 0.446 175.449 174.990 0.021 0.000 1.039 57 C CA -0.780 58.244 59.018 0.009 0.000 1.491 57 C CB -1.524 26.230 27.740 0.024 0.000 1.663 57 C HN 0.593 nan 8.230 nan 0.000 0.470 58 Y N 2.579 122.809 120.300 -0.115 0.000 2.881 58 Y HA 0.222 4.770 4.550 -0.003 0.000 0.335 58 Y C 0.717 176.652 175.900 0.059 0.000 1.263 58 Y CA 0.059 58.134 58.100 -0.042 0.000 1.572 58 Y CB 0.479 38.921 38.460 -0.030 0.000 1.237 58 Y HN 0.736 nan 8.280 nan 0.000 0.568 59 A N 7.030 129.470 122.820 -0.633 0.000 2.457 59 A HA 0.302 4.620 4.320 -0.003 0.000 0.298 59 A C 0.919 177.994 177.584 -0.849 0.000 1.288 59 A CA -0.150 51.575 52.037 -0.521 0.000 0.956 59 A CB -0.467 18.356 19.000 -0.295 0.000 1.135 59 A HN 0.902 nan 8.150 nan 0.000 0.535 60 V N 3.993 123.648 119.914 -0.432 0.000 2.392 60 V HA -0.327 3.791 4.120 -0.003 0.000 0.249 60 V C 2.670 178.634 176.094 -0.216 0.000 1.059 60 V CA 2.485 64.647 62.300 -0.229 0.000 1.051 60 V CB -0.764 31.023 31.823 -0.060 0.000 0.658 60 V HN 1.073 nan 8.190 nan 0.000 0.455 61 K N 1.483 121.768 120.400 -0.192 0.000 2.211 61 K HA -0.157 4.161 4.320 -0.003 0.000 0.204 61 K C 2.048 178.459 176.600 -0.315 0.000 1.047 61 K CA 1.732 57.936 56.287 -0.138 0.000 0.935 61 K CB -0.538 31.959 32.500 -0.005 0.000 0.728 61 K HN 0.382 nan 8.250 nan 0.000 0.452 62 A N 1.551 124.059 122.820 -0.519 0.000 1.933 62 A HA -0.127 4.191 4.320 -0.003 0.000 0.218 62 A C 0.864 178.147 177.584 -0.502 0.000 1.175 62 A CA 1.340 52.831 52.037 -0.909 0.000 0.628 62 A CB -0.263 18.369 19.000 -0.613 0.000 0.814 62 A HN 0.552 nan 8.150 nan 0.000 0.444 63 N N -1.732 116.842 118.700 -0.209 0.000 3.127 63 N HA 0.109 4.847 4.740 -0.003 0.000 0.239 63 N C -0.745 174.764 175.510 -0.001 0.000 1.200 63 N CA 0.278 53.261 53.050 -0.112 0.000 0.924 63 N CB 0.801 39.190 38.487 -0.164 0.000 1.583 63 N HN -0.063 nan 8.380 nan 0.000 0.645 64 S N 0.978 116.661 115.700 -0.028 0.000 2.540 64 S HA 0.089 4.557 4.470 -0.003 0.000 0.218 64 S C 0.700 175.272 174.600 -0.047 0.000 0.977 64 S CA -0.573 57.616 58.200 -0.017 0.000 0.918 64 S CB -0.200 62.981 63.200 -0.032 0.000 0.806 64 S HN 0.646 nan 8.310 nan 0.000 0.496 65 N N 2.358 121.016 118.700 -0.069 0.000 2.356 65 N HA -0.010 4.728 4.740 -0.003 0.000 0.252 65 N C 1.005 176.458 175.510 -0.096 0.000 1.241 65 N CA 0.172 53.170 53.050 -0.086 0.000 0.861 65 N CB 0.419 38.844 38.487 -0.104 0.000 1.075 65 N HN 0.236 nan 8.380 nan 0.000 0.461 66 L N 3.442 124.610 121.223 -0.093 0.000 2.043 66 L HA -0.178 4.161 4.340 -0.003 0.000 0.212 66 L C 2.411 179.216 176.870 -0.108 0.000 1.075 66 L CA 1.720 56.496 54.840 -0.107 0.000 0.752 66 L CB -0.813 41.187 42.059 -0.098 0.000 0.891 66 L HN 0.724 nan 8.230 nan 0.000 0.432 67 G N -0.477 108.270 108.800 -0.088 0.000 2.402 67 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.216 67 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.216 67 G C 1.608 176.453 174.900 -0.091 0.000 1.162 67 G CA 0.803 45.857 45.100 -0.077 0.000 0.777 67 G HN 0.192 nan 8.290 nan 0.000 0.539 68 V N 1.007 120.850 119.914 -0.119 0.000 2.307 68 V HA -0.109 4.009 4.120 -0.003 0.000 0.245 68 V C 2.911 178.902 176.094 -0.173 0.000 1.045 68 V CA 1.397 63.589 62.300 -0.181 0.000 1.024 68 V CB -0.445 31.217 31.823 -0.268 0.000 0.651 68 V HN 0.335 nan 8.190 nan 0.000 0.449 69 L N 0.321 121.467 121.223 -0.129 0.000 2.046 69 L HA -0.197 4.141 4.340 -0.003 0.000 0.208 69 L C 2.525 179.352 176.870 -0.072 0.000 1.077 69 L CA 1.958 56.744 54.840 -0.091 0.000 0.747 69 L CB -0.842 41.095 42.059 -0.202 0.000 0.896 69 L HN 0.490 nan 8.230 nan 0.000 0.432 70 N N -0.222 118.410 118.700 -0.113 0.000 2.120 70 N HA -0.176 4.562 4.740 -0.003 0.000 0.188 70 N C 1.647 177.085 175.510 -0.120 0.000 1.024 70 N CA 1.947 54.932 53.050 -0.108 0.000 0.852 70 N CB 0.108 38.522 38.487 -0.121 0.000 1.003 70 N HN 0.251 nan 8.380 nan 0.000 0.424 71 T N 1.981 116.453 114.554 -0.138 0.000 2.665 71 T HA -0.113 4.236 4.350 -0.003 0.000 0.268 71 T C 2.013 176.559 174.700 -0.257 0.000 1.035 71 T CA 1.126 63.126 62.100 -0.167 0.000 1.151 71 T CB -0.187 68.591 68.868 -0.150 0.000 0.862 71 T HN 0.216 nan 8.240 nan 0.000 0.438 72 L N 0.492 121.546 121.223 -0.282 0.000 2.109 72 L HA 0.042 4.380 4.340 -0.003 0.000 0.207 72 L C 3.074 179.717 176.870 -0.378 0.000 1.086 72 L CA 0.938 55.497 54.840 -0.469 0.000 0.760 72 L CB -0.706 41.081 42.059 -0.454 0.000 0.910 72 L HN 0.231 nan 8.230 nan 0.000 0.437 73 A N 0.486 123.277 122.820 -0.048 0.000 1.933 73 A HA -0.211 4.107 4.320 -0.003 0.000 0.218 73 A C 2.350 179.854 177.584 -0.133 0.000 1.175 73 A CA 1.445 53.499 52.037 0.027 0.000 0.628 73 A CB -0.488 18.576 19.000 0.108 0.000 0.814 73 A HN 0.326 nan 8.150 nan 0.000 0.444 74 R N -0.572 119.827 120.500 -0.169 0.000 2.193 74 R HA -0.002 4.337 4.340 -0.003 0.000 0.229 74 R C 1.373 177.535 176.300 -0.230 0.000 1.110 74 R CA 1.103 57.103 56.100 -0.167 0.000 0.988 74 R CB -0.369 29.845 30.300 -0.142 0.000 0.871 74 R HN 0.523 nan 8.270 nan 0.000 0.458 75 L N -0.912 120.060 121.223 -0.419 0.000 2.558 75 L HA 0.211 4.549 4.340 -0.003 0.000 0.225 75 L C 1.096 177.654 176.870 -0.520 0.000 1.128 75 L CA 0.356 54.841 54.840 -0.592 0.000 0.868 75 L CB 0.243 41.557 42.059 -1.241 0.000 1.006 75 L HN 0.407 nan 8.230 nan 0.000 0.454 76 G N 0.136 108.723 108.800 -0.355 0.000 2.132 76 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.234 76 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.234 76 G C 0.345 175.151 174.900 -0.156 0.000 0.989 76 G CA 0.371 45.369 45.100 -0.171 0.000 0.676 76 G HN 0.296 nan 8.290 nan 0.000 0.522 77 S N -0.132 115.330 115.700 -0.396 0.000 2.573 77 S HA 0.569 5.037 4.470 -0.003 0.000 0.277 77 S C 1.303 175.647 174.600 -0.427 0.000 1.346 77 S CA 0.909 58.940 58.200 -0.281 0.000 1.034 77 S CB 0.529 63.348 63.200 -0.634 0.000 0.879 77 S HN 1.514 nan 8.310 nan 0.000 0.528 78 G N 1.660 110.278 108.800 -0.303 0.000 2.537 78 G HA2 0.672 4.630 3.960 -0.003 0.000 0.297 78 G HA3 0.672 4.630 3.960 -0.003 0.000 0.297 78 G C -1.420 173.075 174.900 -0.675 0.000 1.310 78 G CA -0.586 44.325 45.100 -0.316 0.000 1.027 78 G HN 0.582 nan 8.290 nan 0.000 0.505 79 F N -1.425 118.563 119.950 0.064 0.000 2.608 79 F HA 0.340 4.865 4.527 -0.003 0.000 0.309 79 F C -0.905 174.893 175.800 -0.003 0.000 1.103 79 F CA -0.899 57.134 58.000 0.055 0.000 0.954 79 F CB 2.721 41.739 39.000 0.029 0.000 1.267 79 F HN 0.405 nan 8.300 nan 0.000 0.444 80 D N 3.559 124.050 120.400 0.152 0.000 2.349 80 D HA 0.556 5.194 4.640 -0.003 0.000 0.232 80 D C -0.800 175.520 176.300 0.034 0.000 1.071 80 D CA -0.253 53.788 54.000 0.067 0.000 0.832 80 D CB 0.799 41.617 40.800 0.030 0.000 1.086 80 D HN 0.504 nan 8.370 nan 0.000 0.504 81 I N 0.983 121.554 120.570 0.001 0.000 2.648 81 I HA 0.519 4.687 4.170 -0.003 0.000 0.304 81 I C 0.414 176.531 176.117 0.000 0.000 1.009 81 I CA -1.045 60.205 61.300 -0.082 0.000 1.114 81 I CB 2.170 40.018 38.000 -0.254 0.000 1.293 81 I HN 0.228 nan 8.210 nan 0.000 0.449 82 V N 0.650 120.572 119.914 0.014 0.000 3.346 82 V HA 0.446 4.564 4.120 -0.003 0.000 0.309 82 V C 0.233 176.459 176.094 0.221 0.000 1.457 82 V CA 0.608 63.023 62.300 0.192 0.000 1.069 82 V CB -1.001 30.908 31.823 0.143 0.000 0.944 82 V HN 0.984 nan 8.190 nan 0.000 0.449 83 S N -1.894 113.785 115.700 -0.034 0.000 2.588 83 S HA 0.511 4.979 4.470 -0.003 0.000 0.269 83 S C 0.080 174.526 174.600 -0.256 0.000 1.157 83 S CA 0.222 58.410 58.200 -0.020 0.000 0.824 83 S CB 1.603 64.812 63.200 0.016 0.000 1.126 83 S HN 0.561 nan 8.310 nan 0.000 0.464 84 V N 1.963 121.806 119.914 -0.117 0.000 2.490 84 V HA 0.088 4.206 4.120 -0.003 0.000 0.250 84 V C 2.193 178.210 176.094 -0.127 0.000 1.061 84 V CA 2.852 65.067 62.300 -0.141 0.000 1.064 84 V CB -1.192 30.622 31.823 -0.013 0.000 0.670 84 V HN 1.107 nan 8.190 nan 0.000 0.461 85 G N -0.740 108.010 108.800 -0.083 0.000 2.446 85 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.217 85 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.217 85 G C 1.407 176.240 174.900 -0.110 0.000 1.168 85 G CA 0.974 46.029 45.100 -0.075 0.000 0.771 85 G HN 0.607 nan 8.290 nan 0.000 0.551 86 E N -0.309 119.810 120.200 -0.134 0.000 2.110 86 E HA -0.097 4.251 4.350 -0.003 0.000 0.193 86 E C 2.398 178.870 176.600 -0.214 0.000 0.988 86 E CA 0.648 56.952 56.400 -0.160 0.000 0.804 86 E CB -0.164 29.447 29.700 -0.149 0.000 0.745 86 E HN 0.340 nan 8.360 nan 0.000 0.458 87 L N 1.732 122.802 121.223 -0.256 0.000 2.017 87 L HA -0.190 4.148 4.340 -0.003 0.000 0.208 87 L C 1.993 178.747 176.870 -0.194 0.000 1.073 87 L CA 1.838 56.525 54.840 -0.256 0.000 0.745 87 L CB -0.281 41.598 42.059 -0.300 0.000 0.894 87 L HN -0.025 nan 8.230 nan 0.000 0.432 88 E N -0.235 119.872 120.200 -0.154 0.000 2.150 88 E HA -0.197 4.152 4.350 -0.003 0.000 0.193 88 E C 2.327 178.845 176.600 -0.136 0.000 0.985 88 E CA 0.957 57.284 56.400 -0.121 0.000 0.814 88 E CB -0.233 29.414 29.700 -0.087 0.000 0.752 88 E HN 0.564 nan 8.360 nan 0.000 0.466 89 R N 0.442 120.850 120.500 -0.153 0.000 2.073 89 R HA -0.072 4.266 4.340 -0.003 0.000 0.234 89 R C 2.545 178.702 176.300 -0.239 0.000 1.134 89 R CA 1.094 57.093 56.100 -0.167 0.000 0.952 89 R CB -0.436 29.771 30.300 -0.155 0.000 0.850 89 R HN 0.002 nan 8.270 nan 0.000 0.433 90 V N 1.678 121.400 119.914 -0.321 0.000 2.287 90 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 90 V C 2.355 178.265 176.094 -0.307 0.000 1.053 90 V CA 1.729 63.741 62.300 -0.481 0.000 1.027 90 V CB -0.431 31.049 31.823 -0.572 0.000 0.646 90 V HN 0.301 nan 8.190 nan 0.000 0.447 91 L N -0.094 121.006 121.223 -0.205 0.000 2.012 91 L HA -0.190 4.148 4.340 -0.003 0.000 0.210 91 L C 2.721 179.517 176.870 -0.124 0.000 1.073 91 L CA 1.729 56.488 54.840 -0.135 0.000 0.748 91 L CB -0.806 41.192 42.059 -0.103 0.000 0.891 91 L HN 0.381 nan 8.230 nan 0.000 0.431 92 A N -0.154 122.588 122.820 -0.129 0.000 1.972 92 A HA -0.128 4.191 4.320 -0.003 0.000 0.219 92 A C 2.313 179.826 177.584 -0.120 0.000 1.169 92 A CA 1.611 53.582 52.037 -0.110 0.000 0.635 92 A CB -0.572 18.366 19.000 -0.102 0.000 0.810 92 A HN 0.421 nan 8.150 nan 0.000 0.446 93 A N -1.859 120.867 122.820 -0.157 0.000 2.238 93 A HA 0.407 4.725 4.320 -0.003 0.000 0.208 93 A C 1.730 179.238 177.584 -0.127 0.000 1.177 93 A CA 1.189 53.132 52.037 -0.156 0.000 0.804 93 A CB -0.916 17.957 19.000 -0.212 0.000 0.823 93 A HN 1.889 nan 8.150 nan 0.000 0.482 94 G N -1.877 106.857 108.800 -0.110 0.000 2.132 94 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.234 94 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.234 94 G C 0.641 175.517 174.900 -0.040 0.000 0.989 94 G CA 0.215 45.272 45.100 -0.072 0.000 0.676 94 G HN 1.344 nan 8.290 nan 0.000 0.522 95 G N -0.591 108.175 108.800 -0.057 0.000 2.539 95 G HA2 0.466 4.424 3.960 -0.003 0.000 0.258 95 G HA3 0.466 4.424 3.960 -0.003 0.000 0.258 95 G C -0.512 174.418 174.900 0.049 0.000 1.202 95 G CA 0.328 45.467 45.100 0.065 0.000 0.851 95 G HN 0.266 nan 8.290 nan 0.000 0.556 96 D N 1.069 121.536 120.400 0.111 0.000 2.313 96 D HA 0.306 4.944 4.640 -0.003 0.000 0.239 96 D C -1.401 174.939 176.300 0.066 0.000 1.142 96 D CA -2.283 51.754 54.000 0.062 0.000 0.847 96 D CB 1.876 42.707 40.800 0.052 0.000 1.082 96 D HN -0.054 nan 8.370 nan 0.000 0.480 97 P HA -0.138 nan 4.420 nan 0.000 0.219 97 P C 1.165 178.474 177.300 0.016 0.000 1.146 97 P CA 0.996 64.102 63.100 0.009 0.000 0.808 97 P CB 0.106 31.802 31.700 -0.008 0.000 0.779 98 S N -1.091 114.624 115.700 0.025 0.000 2.555 98 S HA -0.030 4.438 4.470 -0.003 0.000 0.230 98 S C 1.308 175.922 174.600 0.024 0.000 0.978 98 S CA 0.697 58.913 58.200 0.025 0.000 0.934 98 S CB -0.713 62.505 63.200 0.029 0.000 0.766 98 S HN 0.206 nan 8.310 nan 0.000 0.533 99 K N 0.811 121.235 120.400 0.040 0.000 2.455 99 K HA 0.353 4.672 4.320 -0.003 0.000 0.206 99 K C -0.950 175.688 176.600 0.063 0.000 1.027 99 K CA -0.142 56.167 56.287 0.037 0.000 1.113 99 K CB 1.260 33.781 32.500 0.035 0.000 0.850 99 K HN 0.189 nan 8.250 nan 0.000 0.503 100 V N 2.480 122.427 119.914 0.055 0.000 2.398 100 V HA 0.263 4.381 4.120 -0.003 0.000 0.286 100 V C -0.072 176.011 176.094 -0.017 0.000 1.026 100 V CA -0.990 61.341 62.300 0.051 0.000 0.868 100 V CB 1.463 33.295 31.823 0.014 0.000 0.982 100 V HN 0.023 nan 8.190 nan 0.000 0.443 101 V N 2.532 122.449 119.914 0.004 0.000 2.667 101 V HA 0.650 4.768 4.120 -0.003 0.000 0.308 101 V C -0.836 175.292 176.094 0.057 0.000 1.048 101 V CA -0.758 61.544 62.300 0.004 0.000 0.928 101 V CB 1.903 33.743 31.823 0.029 0.000 1.004 101 V HN 0.721 nan 8.190 nan 0.000 0.444 102 F N 2.796 122.650 119.950 -0.160 0.000 2.403 102 F HA 0.690 5.215 4.527 -0.003 0.000 0.355 102 F C 0.263 176.052 175.800 -0.019 0.000 1.119 102 F CA -0.359 57.560 58.000 -0.134 0.000 1.007 102 F CB 1.584 40.385 39.000 -0.331 0.000 1.194 102 F HN 0.734 nan 8.300 nan 0.000 0.443 103 S N 2.842 118.789 115.700 0.413 0.000 2.718 103 S HA 0.961 5.429 4.470 -0.003 0.000 0.300 103 S C -0.268 174.459 174.600 0.212 0.000 1.117 103 S CA -0.261 58.066 58.200 0.212 0.000 1.002 103 S CB 1.797 65.090 63.200 0.155 0.000 1.092 103 S HN 1.102 nan 8.310 nan 0.000 0.542 104 G N -0.520 108.346 108.800 0.109 0.000 2.653 104 G HA2 0.044 4.003 3.960 -0.003 0.000 0.656 104 G HA3 0.044 4.003 3.960 -0.003 0.000 0.656 104 G C 0.040 174.977 174.900 0.062 0.000 1.419 104 G CA -0.321 44.849 45.100 0.116 0.000 0.862 104 G HN 1.223 nan 8.290 nan 0.000 0.639 105 V N -0.427 119.547 119.914 0.099 0.000 3.235 105 V HA 0.536 4.654 4.120 -0.003 0.000 0.259 105 V C 1.496 177.599 176.094 0.013 0.000 1.133 105 V CA 1.969 64.304 62.300 0.059 0.000 1.128 105 V CB 0.482 32.346 31.823 0.069 0.000 0.757 105 V HN 1.994 nan 8.190 nan 0.000 0.469 106 G N 0.482 109.296 108.800 0.023 0.000 4.547 106 G HA2 0.285 4.244 3.960 -0.003 0.000 0.301 106 G HA3 0.285 4.244 3.960 -0.003 0.000 0.301 106 G C 0.105 175.013 174.900 0.013 0.000 1.240 106 G CA -0.663 44.443 45.100 0.011 0.000 0.970 106 G HN 0.448 nan 8.290 nan 0.000 0.574 107 K N 1.706 122.089 120.400 -0.028 0.000 2.447 107 K HA 0.219 4.537 4.320 -0.003 0.000 0.281 107 K C 0.936 177.532 176.600 -0.007 0.000 1.031 107 K CA 0.159 56.421 56.287 -0.040 0.000 1.019 107 K CB 0.646 32.993 32.500 -0.254 0.000 0.918 107 K HN 0.370 nan 8.250 nan 0.000 0.476 108 T N -0.697 113.888 114.554 0.051 0.000 2.874 108 T HA 0.097 4.445 4.350 -0.003 0.000 0.281 108 T C 1.091 175.813 174.700 0.038 0.000 0.994 108 T CA -0.719 61.405 62.100 0.040 0.000 1.015 108 T CB 1.151 70.052 68.868 0.055 0.000 1.028 108 T HN 0.557 nan 8.240 nan 0.000 0.523 109 E N 0.734 120.945 120.200 0.018 0.000 2.077 109 E HA -0.137 4.212 4.350 -0.003 0.000 0.193 109 E C 2.451 179.075 176.600 0.041 0.000 0.989 109 E CA 1.192 57.599 56.400 0.011 0.000 0.800 109 E CB -0.417 29.281 29.700 -0.002 0.000 0.746 109 E HN 0.817 nan 8.360 nan 0.000 0.452 110 A N 1.611 124.462 122.820 0.051 0.000 1.902 110 A HA -0.249 4.070 4.320 -0.003 0.000 0.217 110 A C 1.945 179.591 177.584 0.104 0.000 1.181 110 A CA 1.536 53.611 52.037 0.062 0.000 0.623 110 A CB -0.412 18.618 19.000 0.050 0.000 0.818 110 A HN 0.182 nan 8.150 nan 0.000 0.443 111 E N -0.650 119.638 120.200 0.147 0.000 2.072 111 E HA -0.176 4.172 4.350 -0.003 0.000 0.191 111 E C 2.119 178.935 176.600 0.360 0.000 0.985 111 E CA 1.414 57.966 56.400 0.254 0.000 0.801 111 E CB -0.298 29.622 29.700 0.366 0.000 0.750 111 E HN 0.660 nan 8.360 nan 0.000 0.452 112 M N 0.816 120.584 119.600 0.281 0.000 2.108 112 M HA -0.215 4.263 4.480 -0.003 0.000 0.261 112 M C 2.461 178.898 176.300 0.229 0.000 1.066 112 M CA 1.477 56.941 55.300 0.275 0.000 1.107 112 M CB -0.264 32.334 32.600 -0.002 0.000 1.356 112 M HN -0.043 nan 8.290 nan 0.000 0.406 113 K N 0.350 120.829 120.400 0.130 0.000 2.032 113 K HA -0.243 4.075 4.320 -0.003 0.000 0.209 113 K C 2.148 178.822 176.600 0.124 0.000 1.048 113 K CA 1.669 58.013 56.287 0.096 0.000 0.927 113 K CB -0.065 32.469 32.500 0.058 0.000 0.712 113 K HN -0.014 nan 8.250 nan 0.000 0.441 114 R N 0.761 121.338 120.500 0.129 0.000 2.081 114 R HA -0.029 4.309 4.340 -0.003 0.000 0.235 114 R C 1.919 178.293 176.300 0.123 0.000 1.131 114 R CA 1.852 58.011 56.100 0.099 0.000 0.960 114 R CB -0.879 29.462 30.300 0.069 0.000 0.856 114 R HN 0.324 nan 8.270 nan 0.000 0.436 115 A N 0.260 123.210 122.820 0.217 0.000 1.930 115 A HA -0.050 4.269 4.320 -0.003 0.000 0.217 115 A C 2.274 180.022 177.584 0.274 0.000 1.175 115 A CA 1.340 53.509 52.037 0.220 0.000 0.627 115 A CB -0.515 18.695 19.000 0.351 0.000 0.815 115 A HN 0.359 nan 8.150 nan 0.000 0.443 116 L N -1.008 120.429 121.223 0.356 0.000 2.056 116 L HA -0.222 4.116 4.340 -0.003 0.000 0.207 116 L C 2.855 179.810 176.870 0.142 0.000 1.078 116 L CA 1.411 56.410 54.840 0.266 0.000 0.749 116 L CB -0.485 41.677 42.059 0.172 0.000 0.901 116 L HN 0.464 nan 8.230 nan 0.000 0.433 117 Q N -0.246 119.619 119.800 0.108 0.000 2.170 117 Q HA -0.169 4.169 4.340 -0.003 0.000 0.203 117 Q C 2.083 178.115 176.000 0.053 0.000 0.976 117 Q CA 1.193 57.035 55.803 0.066 0.000 0.858 117 Q CB -0.033 28.736 28.738 0.052 0.000 0.907 117 Q HN 0.521 nan 8.270 nan 0.000 0.433 118 L N 0.318 121.573 121.223 0.053 0.000 2.591 118 L HA 0.038 4.377 4.340 -0.003 0.000 0.228 118 L C -0.074 176.814 176.870 0.031 0.000 1.133 118 L CA 0.102 54.958 54.840 0.027 0.000 0.880 118 L CB 0.077 42.136 42.059 0.001 0.000 1.033 118 L HN 0.130 nan 8.230 nan 0.000 0.450 119 K N 1.439 121.875 120.400 0.060 0.000 3.257 119 K HA -0.192 4.126 4.320 -0.003 0.000 0.270 119 K C 0.218 176.839 176.600 0.035 0.000 0.984 119 K CA 0.380 56.705 56.287 0.063 0.000 0.739 119 K CB -1.911 30.620 32.500 0.051 0.000 1.351 119 K HN 0.494 nan 8.250 nan 0.000 0.463 120 I N -2.494 118.081 120.570 0.009 0.000 3.112 120 I HA -0.023 4.146 4.170 -0.003 0.000 0.284 120 I C 1.765 177.859 176.117 -0.040 0.000 1.227 120 I CA -0.253 61.014 61.300 -0.056 0.000 1.369 120 I CB 0.681 38.575 38.000 -0.178 0.000 1.376 120 I HN 0.193 nan 8.210 nan 0.000 0.608 121 K N 1.945 122.320 120.400 -0.042 0.000 2.026 121 K HA -0.049 4.269 4.320 -0.003 0.000 0.208 121 K C 0.087 176.677 176.600 -0.016 0.000 1.048 121 K CA 1.529 57.806 56.287 -0.017 0.000 0.929 121 K CB 0.026 32.510 32.500 -0.026 0.000 0.713 121 K HN 0.792 nan 8.250 nan 0.000 0.439 122 C N -1.054 118.218 119.300 -0.046 0.000 3.284 122 C HA 0.458 4.916 4.460 -0.003 0.000 0.338 122 C C -1.802 173.163 174.990 -0.043 0.000 1.237 122 C CA -1.231 57.810 59.018 0.040 0.000 1.276 122 C CB 0.593 28.427 27.740 0.156 0.000 1.601 122 C HN 0.291 nan 8.230 nan 0.000 0.494 123 F N 4.160 124.155 119.950 0.076 0.000 2.404 123 F HA 0.405 4.930 4.527 -0.003 0.000 0.354 123 F C 0.619 176.440 175.800 0.036 0.000 1.122 123 F CA -0.244 57.782 58.000 0.042 0.000 1.080 123 F CB 1.007 39.986 39.000 -0.035 0.000 1.131 123 F HN 0.470 nan 8.300 nan 0.000 0.471 124 N N 3.643 122.442 118.700 0.165 0.000 2.521 124 N HA 0.185 4.923 4.740 -0.003 0.000 0.236 124 N C -0.680 174.868 175.510 0.064 0.000 1.067 124 N CA -0.110 53.014 53.050 0.124 0.000 0.939 124 N CB 1.286 39.849 38.487 0.126 0.000 1.201 124 N HN 0.205 nan 8.380 nan 0.000 0.511 125 V N 2.067 122.007 119.914 0.043 0.000 2.498 125 V HA 0.103 4.221 4.120 -0.003 0.000 0.279 125 V C 1.311 177.389 176.094 -0.027 0.000 1.048 125 V CA -0.106 62.187 62.300 -0.012 0.000 0.967 125 V CB 1.347 33.145 31.823 -0.041 0.000 0.988 125 V HN 0.548 nan 8.190 nan 0.000 0.473 126 E N 2.370 122.556 120.200 -0.023 0.000 2.498 126 E HA 0.175 4.523 4.350 -0.003 0.000 0.203 126 E C 0.278 176.864 176.600 -0.023 0.000 1.013 126 E CA 0.208 56.604 56.400 -0.007 0.000 0.927 126 E CB 0.953 30.677 29.700 0.039 0.000 1.012 126 E HN 0.777 nan 8.360 nan 0.000 0.482 127 S N -0.975 114.698 115.700 -0.045 0.000 2.567 127 S HA 0.226 4.694 4.470 -0.003 0.000 0.270 127 S C 0.361 174.923 174.600 -0.064 0.000 1.152 127 S CA -0.839 57.331 58.200 -0.050 0.000 0.835 127 S CB 1.649 64.823 63.200 -0.043 0.000 1.115 127 S HN -0.042 nan 8.310 nan 0.000 0.459 128 E N 0.568 120.731 120.200 -0.061 0.000 2.106 128 E HA -0.037 4.311 4.350 -0.003 0.000 0.192 128 E C -1.088 175.477 176.600 -0.058 0.000 0.984 128 E CA 1.243 57.605 56.400 -0.063 0.000 0.806 128 E CB -1.028 28.640 29.700 -0.054 0.000 0.750 128 E HN 0.512 nan 8.360 nan 0.000 0.458 129 P HA -0.172 nan 4.420 nan 0.000 0.218 129 P C 1.178 178.443 177.300 -0.059 0.000 1.149 129 P CA 1.134 64.204 63.100 -0.050 0.000 0.817 129 P CB 0.041 31.716 31.700 -0.043 0.000 0.785 130 E N -0.432 119.730 120.200 -0.064 0.000 2.072 130 E HA -0.181 4.167 4.350 -0.003 0.000 0.191 130 E C 1.869 178.411 176.600 -0.097 0.000 0.985 130 E CA 0.715 57.068 56.400 -0.079 0.000 0.801 130 E CB -0.516 29.138 29.700 -0.077 0.000 0.750 130 E HN -0.006 nan 8.360 nan 0.000 0.452 131 L N 1.399 122.568 121.223 -0.090 0.000 2.013 131 L HA -0.269 4.069 4.340 -0.003 0.000 0.212 131 L C 2.392 179.206 176.870 -0.093 0.000 1.073 131 L CA 1.845 56.627 54.840 -0.096 0.000 0.753 131 L CB -0.455 41.551 42.059 -0.088 0.000 0.890 131 L HN 0.166 nan 8.230 nan 0.000 0.432 132 Q N -0.584 119.170 119.800 -0.076 0.000 2.084 132 Q HA -0.252 4.086 4.340 -0.003 0.000 0.202 132 Q C 2.406 178.361 176.000 -0.076 0.000 0.978 132 Q CA 1.886 57.649 55.803 -0.067 0.000 0.844 132 Q CB -0.490 28.217 28.738 -0.053 0.000 0.898 132 Q HN 0.577 nan 8.270 nan 0.000 0.426 133 R N 0.486 120.938 120.500 -0.080 0.000 2.083 133 R HA -0.162 4.176 4.340 -0.003 0.000 0.237 133 R C 2.310 178.540 176.300 -0.116 0.000 1.137 133 R CA 1.157 57.207 56.100 -0.084 0.000 0.951 133 R CB -0.316 29.937 30.300 -0.077 0.000 0.851 133 R HN 0.192 nan 8.270 nan 0.000 0.434 134 L N 1.604 122.732 121.223 -0.159 0.000 2.083 134 L HA -0.150 4.189 4.340 -0.003 0.000 0.209 134 L C 1.864 178.616 176.870 -0.197 0.000 1.083 134 L CA 2.120 56.813 54.840 -0.244 0.000 0.752 134 L CB -0.858 40.998 42.059 -0.339 0.000 0.899 134 L HN 0.267 nan 8.230 nan 0.000 0.433 135 N N -0.226 118.390 118.700 -0.140 0.000 2.120 135 N HA -0.275 4.463 4.740 -0.003 0.000 0.188 135 N C 1.988 177.447 175.510 -0.085 0.000 1.024 135 N CA 1.847 54.835 53.050 -0.103 0.000 0.852 135 N CB -0.242 38.199 38.487 -0.077 0.000 1.003 135 N HN 0.421 nan 8.380 nan 0.000 0.424 136 K N -0.018 120.336 120.400 -0.077 0.000 2.026 136 K HA -0.095 4.224 4.320 -0.003 0.000 0.208 136 K C 1.696 178.260 176.600 -0.060 0.000 1.048 136 K CA 1.453 57.705 56.287 -0.059 0.000 0.929 136 K CB -0.223 32.246 32.500 -0.052 0.000 0.713 136 K HN 0.070 nan 8.250 nan 0.000 0.439 137 V N 1.397 121.264 119.914 -0.078 0.000 2.358 137 V HA -0.216 3.902 4.120 -0.003 0.000 0.246 137 V C 2.506 178.559 176.094 -0.068 0.000 1.047 137 V CA 1.895 64.153 62.300 -0.070 0.000 1.035 137 V CB -0.649 31.124 31.823 -0.083 0.000 0.658 137 V HN 0.515 nan 8.190 nan 0.000 0.452 138 A N 0.557 123.320 122.820 -0.096 0.000 1.902 138 A HA -0.079 4.239 4.320 -0.003 0.000 0.217 138 A C 2.431 179.988 177.584 -0.045 0.000 1.181 138 A CA 1.894 53.885 52.037 -0.077 0.000 0.623 138 A CB -1.223 17.717 19.000 -0.100 0.000 0.818 138 A HN 0.516 nan 8.150 nan 0.000 0.443 139 G N -0.319 108.454 108.800 -0.046 0.000 2.446 139 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.217 139 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.217 139 G C 1.402 176.288 174.900 -0.023 0.000 1.168 139 G CA 1.056 46.137 45.100 -0.031 0.000 0.771 139 G HN 0.659 nan 8.290 nan 0.000 0.551 140 E N -0.070 120.116 120.200 -0.024 0.000 2.118 140 E HA -0.039 4.310 4.350 -0.003 0.000 0.195 140 E C 2.406 179.001 176.600 -0.009 0.000 0.992 140 E CA 0.568 56.959 56.400 -0.015 0.000 0.804 140 E CB -0.156 29.534 29.700 -0.016 0.000 0.741 140 E HN 0.404 nan 8.360 nan 0.000 0.458 141 L N -0.656 120.561 121.223 -0.009 0.000 2.509 141 L HA 0.124 4.462 4.340 -0.003 0.000 0.222 141 L C 1.190 178.061 176.870 0.001 0.000 1.123 141 L CA 0.305 55.145 54.840 -0.000 0.000 0.856 141 L CB 0.014 42.076 42.059 0.005 0.000 0.985 141 L HN 0.265 nan 8.230 nan 0.000 0.456 142 G N 1.256 110.054 108.800 -0.004 0.000 2.225 142 G HA2 -0.202 3.757 3.960 -0.003 0.000 0.264 142 G HA3 -0.202 3.757 3.960 -0.003 0.000 0.264 142 G C -0.028 174.874 174.900 0.004 0.000 1.060 142 G CA 0.302 45.402 45.100 -0.001 0.000 0.833 142 G HN 0.293 nan 8.290 nan 0.000 0.498 143 V N -4.934 114.981 119.914 0.001 0.000 3.167 143 V HA 0.967 5.085 4.120 -0.003 0.000 0.310 143 V C -0.579 175.516 176.094 0.001 0.000 1.207 143 V CA -1.826 60.480 62.300 0.010 0.000 1.059 143 V CB 2.191 34.027 31.823 0.022 0.000 1.079 143 V HN 0.117 nan 8.190 nan 0.000 0.446 144 K N 1.588 121.997 120.400 0.015 0.000 2.307 144 K HA 0.775 5.094 4.320 -0.003 0.000 0.263 144 K C -0.269 176.340 176.600 0.016 0.000 0.973 144 K CA -0.136 56.158 56.287 0.013 0.000 0.846 144 K CB 1.589 34.111 32.500 0.037 0.000 1.100 144 K HN 1.154 nan 8.250 nan 0.000 0.438 145 A N 5.442 128.248 122.820 -0.024 0.000 2.320 145 A HA 0.395 4.714 4.320 -0.003 0.000 0.287 145 A C -2.149 175.446 177.584 0.018 0.000 1.181 145 A CA -1.379 50.638 52.037 -0.032 0.000 0.831 145 A CB -0.082 18.775 19.000 -0.238 0.000 1.102 145 A HN 0.337 nan 8.150 nan 0.000 0.513 146 P HA 0.404 nan 4.420 nan 0.000 0.282 146 P C -0.853 176.499 177.300 0.087 0.000 1.262 146 P CA 0.074 63.091 63.100 -0.138 0.000 0.773 146 P CB 0.821 32.276 31.700 -0.407 0.000 0.879 147 I N -0.081 120.554 120.570 0.109 0.000 2.934 147 I HA 0.822 4.990 4.170 -0.003 0.000 0.306 147 I C -0.888 175.343 176.117 0.191 0.000 1.110 147 I CA -1.144 60.256 61.300 0.166 0.000 1.019 147 I CB 2.327 40.383 38.000 0.092 0.000 1.227 147 I HN 0.229 nan 8.210 nan 0.000 0.434 148 S N 4.261 120.071 115.700 0.182 0.000 2.548 148 S HA 0.783 5.252 4.470 -0.003 0.000 0.286 148 S C -1.169 173.484 174.600 0.087 0.000 1.098 148 S CA -0.740 57.571 58.200 0.185 0.000 0.930 148 S CB 1.009 64.360 63.200 0.251 0.000 1.070 148 S HN 0.720 nan 8.310 nan 0.000 0.480 149 L N 3.496 124.734 121.223 0.024 0.000 2.295 149 L HA 0.576 4.914 4.340 -0.003 0.000 0.285 149 L C 0.203 177.075 176.870 0.003 0.000 1.035 149 L CA -0.937 53.833 54.840 -0.117 0.000 0.806 149 L CB 1.355 43.114 42.059 -0.500 0.000 1.214 149 L HN 0.661 nan 8.230 nan 0.000 0.426 150 R N 4.189 124.686 120.500 -0.005 0.000 2.288 150 R HA 0.351 4.690 4.340 -0.003 0.000 0.330 150 R C -0.940 175.371 176.300 0.018 0.000 1.069 150 R CA 0.011 56.118 56.100 0.012 0.000 0.941 150 R CB -0.006 30.278 30.300 -0.026 0.000 0.998 150 R HN 0.359 nan 8.270 nan 0.000 0.452 151 I N 4.025 124.634 120.570 0.066 0.000 2.404 151 I HA 0.264 4.432 4.170 -0.003 0.000 0.293 151 I C 0.085 176.279 176.117 0.129 0.000 0.992 151 I CA -0.978 60.380 61.300 0.096 0.000 1.149 151 I CB 1.553 39.635 38.000 0.137 0.000 1.315 151 I HN 0.714 nan 8.210 nan 0.000 0.446 152 N N 6.766 125.549 118.700 0.139 0.000 2.492 152 N HA 0.173 4.911 4.740 -0.003 0.000 0.260 152 N C -2.387 173.228 175.510 0.175 0.000 1.215 152 N CA -0.790 52.341 53.050 0.135 0.000 0.923 152 N CB 0.348 38.905 38.487 0.116 0.000 1.092 152 N HN 0.343 nan 8.380 nan 0.000 0.448 153 P HA 0.077 nan 4.420 nan 0.000 0.272 153 P C -1.001 176.234 177.300 -0.108 0.000 1.240 153 P CA 0.100 63.203 63.100 0.005 0.000 0.791 153 P CB 0.608 32.297 31.700 -0.018 0.000 0.978 154 D N -0.623 119.562 120.400 -0.358 0.000 2.671 154 D HA 0.519 5.157 4.640 -0.003 0.000 0.232 154 D C -1.348 174.754 176.300 -0.331 0.000 1.114 154 D CA -0.598 53.111 54.000 -0.485 0.000 0.858 154 D CB 1.398 41.435 40.800 -1.271 0.000 1.544 154 D HN 0.177 nan 8.370 nan 0.000 0.471 155 V N -0.026 119.779 119.914 -0.181 0.000 3.160 155 V HA 0.595 4.713 4.120 -0.003 0.000 0.310 155 V C -0.622 175.469 176.094 -0.006 0.000 1.181 155 V CA -1.024 61.242 62.300 -0.058 0.000 1.047 155 V CB 1.781 33.621 31.823 0.028 0.000 1.068 155 V HN 0.543 nan 8.190 nan 0.000 0.441 156 D N 1.326 121.768 120.400 0.070 0.000 2.346 156 D HA 0.397 5.035 4.640 -0.003 0.000 0.260 156 D C 1.155 177.473 176.300 0.030 0.000 1.252 156 D CA 0.705 54.720 54.000 0.024 0.000 0.895 156 D CB 1.640 42.439 40.800 -0.001 0.000 1.097 156 D HN 0.932 nan 8.370 nan 0.000 0.489 157 A N 4.970 127.799 122.820 0.015 0.000 2.070 157 A HA -0.190 4.128 4.320 -0.003 0.000 0.220 157 A C 1.967 179.554 177.584 0.006 0.000 1.159 157 A CA 1.219 53.270 52.037 0.023 0.000 0.656 157 A CB -0.123 18.887 19.000 0.016 0.000 0.800 157 A HN 0.623 nan 8.150 nan 0.000 0.453 158 K N -1.113 119.275 120.400 -0.020 0.000 2.167 158 K HA -0.032 4.286 4.320 -0.003 0.000 0.203 158 K C 1.749 178.301 176.600 -0.081 0.000 1.052 158 K CA 1.616 57.882 56.287 -0.036 0.000 0.956 158 K CB -0.133 32.347 32.500 -0.034 0.000 0.735 158 K HN 0.442 nan 8.250 nan 0.000 0.451 159 T N -0.286 114.171 114.554 -0.161 0.000 3.031 159 T HA 0.021 4.369 4.350 -0.003 0.000 0.254 159 T C 0.429 174.836 174.700 -0.489 0.000 1.060 159 T CA 0.654 62.535 62.100 -0.365 0.000 1.135 159 T CB 0.119 68.659 68.868 -0.546 0.000 0.896 159 T HN 0.185 nan 8.240 nan 0.000 0.472 160 H N 0.764 119.850 119.070 0.028 0.000 2.379 160 H HA 0.244 4.798 4.556 -0.003 0.000 0.229 160 H C -2.000 173.363 175.328 0.058 0.000 1.423 160 H CA -1.999 54.078 56.048 0.048 0.000 1.375 160 H CB 0.898 30.686 29.762 0.042 0.000 1.592 160 H HN 0.220 nan 8.280 nan 0.000 0.507 161 P HA -0.222 nan 4.420 nan 0.000 0.215 161 P C 1.615 178.996 177.300 0.136 0.000 1.157 161 P CA 1.152 64.317 63.100 0.108 0.000 0.863 161 P CB 0.355 32.105 31.700 0.084 0.000 0.787 162 Y N 0.609 120.944 120.300 0.057 0.000 2.200 162 Y HA -0.121 4.427 4.550 -0.003 0.000 0.290 162 Y C 2.463 178.393 175.900 0.050 0.000 1.137 162 Y CA 1.346 59.475 58.100 0.048 0.000 1.163 162 Y CB -0.938 37.550 38.460 0.047 0.000 0.988 162 Y HN -0.252 nan 8.280 nan 0.000 0.518 163 I N -1.060 119.623 120.570 0.189 0.000 2.179 163 I HA -0.344 3.824 4.170 -0.003 0.000 0.242 163 I C 2.782 178.900 176.117 0.002 0.000 1.088 163 I CA 1.676 63.026 61.300 0.084 0.000 1.357 163 I CB -0.663 37.399 38.000 0.104 0.000 1.051 163 I HN 0.214 nan 8.210 nan 0.000 0.409 164 S N 0.177 115.897 115.700 0.033 0.000 2.359 164 S HA -0.219 4.249 4.470 -0.003 0.000 0.224 164 S C 2.095 176.676 174.600 -0.032 0.000 1.035 164 S CA 2.388 60.592 58.200 0.006 0.000 1.018 164 S CB -0.392 62.825 63.200 0.027 0.000 0.876 164 S HN 0.440 nan 8.310 nan 0.000 0.448 165 T N 0.894 115.409 114.554 -0.064 0.000 2.684 165 T HA -0.032 4.316 4.350 -0.003 0.000 0.267 165 T C 1.887 176.508 174.700 -0.131 0.000 1.036 165 T CA 1.404 63.445 62.100 -0.098 0.000 1.148 165 T CB -1.133 67.656 68.868 -0.131 0.000 0.863 165 T HN 0.586 nan 8.240 nan 0.000 0.436 166 G N 1.163 109.839 108.800 -0.206 0.000 2.422 166 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.218 166 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.218 166 G C 1.498 176.357 174.900 -0.068 0.000 1.146 166 G CA 0.478 45.473 45.100 -0.174 0.000 0.769 166 G HN 0.439 nan 8.290 nan 0.000 0.547 167 L N -0.436 120.762 121.223 -0.041 0.000 2.056 167 L HA 0.014 4.353 4.340 -0.003 0.000 0.207 167 L C 3.152 180.028 176.870 0.009 0.000 1.078 167 L CA 0.859 55.698 54.840 -0.000 0.000 0.749 167 L CB -0.275 41.785 42.059 0.002 0.000 0.901 167 L HN 0.133 nan 8.230 nan 0.000 0.433 168 R N -0.241 120.257 120.500 -0.003 0.000 2.115 168 R HA -0.072 4.266 4.340 -0.003 0.000 0.230 168 R C 0.202 176.500 176.300 -0.003 0.000 1.111 168 R CA 0.811 56.916 56.100 0.008 0.000 0.976 168 R CB -0.078 30.226 30.300 0.006 0.000 0.870 168 R HN 0.302 nan 8.270 nan 0.000 0.445 169 D N 0.871 121.258 120.400 -0.022 0.000 3.163 169 D HA 0.075 4.713 4.640 -0.003 0.000 0.284 169 D C -0.768 175.512 176.300 -0.034 0.000 1.368 169 D CA -0.027 53.955 54.000 -0.030 0.000 0.895 169 D CB 0.017 40.793 40.800 -0.039 0.000 1.061 169 D HN 0.025 nan 8.370 nan 0.000 0.496 170 N N 1.022 119.710 118.700 -0.019 0.000 2.487 170 N HA 0.060 4.798 4.740 -0.003 0.000 0.292 170 N C 1.177 176.646 175.510 -0.067 0.000 1.108 170 N CA -0.451 52.590 53.050 -0.015 0.000 0.956 170 N CB 1.419 39.937 38.487 0.050 0.000 1.176 170 N HN -0.071 nan 8.380 nan 0.000 0.484 171 K N 1.033 121.328 120.400 -0.175 0.000 2.217 171 K HA 0.032 4.350 4.320 -0.003 0.000 0.202 171 K C -0.124 176.254 176.600 -0.370 0.000 1.051 171 K CA 0.741 56.829 56.287 -0.331 0.000 0.952 171 K CB -0.118 32.073 32.500 -0.515 0.000 0.736 171 K HN 0.248 nan 8.250 nan 0.000 0.453 172 F N 2.037 121.965 119.950 -0.036 0.000 2.385 172 F HA 0.417 4.942 4.527 -0.003 0.000 0.336 172 F C 1.407 177.177 175.800 -0.051 0.000 1.100 172 F CA 0.380 58.349 58.000 -0.052 0.000 1.116 172 F CB 0.951 39.907 39.000 -0.074 0.000 1.166 172 F HN 0.376 nan 8.300 nan 0.000 0.511 173 G N 2.652 111.542 108.800 0.150 0.000 2.682 173 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.256 173 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.256 173 G C -0.690 174.226 174.900 0.027 0.000 1.333 173 G CA -0.698 44.438 45.100 0.060 0.000 0.904 173 G HN 0.697 nan 8.290 nan 0.000 0.569 174 I N 0.601 121.178 120.570 0.011 0.000 2.385 174 I HA 0.361 4.529 4.170 -0.003 0.000 0.294 174 I C 1.354 177.490 176.117 0.033 0.000 0.988 174 I CA -0.256 61.042 61.300 -0.003 0.000 1.265 174 I CB 1.664 39.637 38.000 -0.046 0.000 1.388 174 I HN 0.709 nan 8.210 nan 0.000 0.480 175 T N 4.108 118.683 114.554 0.035 0.000 2.932 175 T HA -0.030 4.319 4.350 -0.003 0.000 0.312 175 T C 0.917 175.682 174.700 0.108 0.000 1.071 175 T CA 0.249 62.395 62.100 0.077 0.000 1.128 175 T CB 0.271 69.175 68.868 0.060 0.000 0.984 175 T HN 0.436 nan 8.240 nan 0.000 0.549 176 F N 3.142 123.101 119.950 0.016 0.000 2.126 176 F HA -0.138 4.388 4.527 -0.003 0.000 0.299 176 F C 2.038 177.852 175.800 0.024 0.000 1.096 176 F CA 2.426 60.440 58.000 0.024 0.000 1.255 176 F CB -0.195 38.817 39.000 0.019 0.000 0.997 176 F HN 0.817 nan 8.300 nan 0.000 0.479 177 D N -0.734 119.753 120.400 0.145 0.000 2.348 177 D HA -0.135 4.504 4.640 -0.003 0.000 0.216 177 D C 1.579 177.858 176.300 -0.034 0.000 0.970 177 D CA 0.874 54.902 54.000 0.046 0.000 0.889 177 D CB -0.702 40.162 40.800 0.107 0.000 0.912 177 D HN 0.358 nan 8.370 nan 0.000 0.524 178 R N -0.223 120.252 120.500 -0.041 0.000 2.397 178 R HA 0.459 4.797 4.340 -0.003 0.000 0.241 178 R C 1.784 178.043 176.300 -0.069 0.000 0.914 178 R CA 0.372 56.445 56.100 -0.045 0.000 1.071 178 R CB 0.434 30.718 30.300 -0.027 0.000 1.116 178 R HN 0.170 nan 8.270 nan 0.000 0.524 179 A N 1.713 124.462 122.820 -0.118 0.000 1.865 179 A HA -0.182 4.137 4.320 -0.003 0.000 0.217 179 A C 2.362 179.974 177.584 0.047 0.000 1.191 179 A CA 1.976 53.969 52.037 -0.073 0.000 0.623 179 A CB -0.546 18.351 19.000 -0.172 0.000 0.826 179 A HN 0.351 nan 8.150 nan 0.000 0.444 180 A N -0.787 122.019 122.820 -0.024 0.000 1.883 180 A HA -0.244 4.074 4.320 -0.003 0.000 0.217 180 A C 2.134 179.739 177.584 0.035 0.000 1.186 180 A CA 1.859 53.904 52.037 0.013 0.000 0.624 180 A CB -0.690 18.275 19.000 -0.057 0.000 0.822 180 A HN 0.668 nan 8.150 nan 0.000 0.444 181 Q N -0.516 119.282 119.800 -0.003 0.000 2.061 181 Q HA -0.135 4.203 4.340 -0.003 0.000 0.204 181 Q C 2.125 178.123 176.000 -0.004 0.000 0.984 181 Q CA 1.901 57.701 55.803 -0.005 0.000 0.846 181 Q CB -0.432 28.295 28.738 -0.018 0.000 0.902 181 Q HN 0.500 nan 8.270 nan 0.000 0.421 182 V N -0.213 119.681 119.914 -0.034 0.000 2.427 182 V HA -0.261 3.858 4.120 -0.003 0.000 0.248 182 V C 1.714 177.751 176.094 -0.095 0.000 1.051 182 V CA 1.693 63.942 62.300 -0.086 0.000 1.048 182 V CB -0.729 31.005 31.823 -0.148 0.000 0.666 182 V HN 0.358 nan 8.190 nan 0.000 0.456 183 Y N 0.620 120.900 120.300 -0.033 0.000 2.181 183 Y HA -0.231 4.317 4.550 -0.003 0.000 0.288 183 Y C 2.781 178.687 175.900 0.009 0.000 1.146 183 Y CA 1.767 59.856 58.100 -0.019 0.000 1.164 183 Y CB -0.189 38.239 38.460 -0.052 0.000 0.982 183 Y HN 0.117 nan 8.280 nan 0.000 0.515 184 R N -0.652 119.931 120.500 0.140 0.000 2.081 184 R HA -0.185 4.153 4.340 -0.003 0.000 0.235 184 R C 2.100 178.461 176.300 0.102 0.000 1.131 184 R CA 1.457 57.617 56.100 0.101 0.000 0.960 184 R CB -0.653 29.675 30.300 0.046 0.000 0.856 184 R HN 0.254 nan 8.270 nan 0.000 0.436 185 L N 0.790 122.044 121.223 0.052 0.000 2.017 185 L HA -0.102 4.236 4.340 -0.003 0.000 0.208 185 L C 2.200 179.090 176.870 0.033 0.000 1.073 185 L CA 2.056 56.911 54.840 0.026 0.000 0.745 185 L CB -0.817 41.237 42.059 -0.010 0.000 0.894 185 L HN 0.154 nan 8.230 nan 0.000 0.432 186 A N -1.208 121.632 122.820 0.034 0.000 1.883 186 A HA -0.335 3.983 4.320 -0.003 0.000 0.217 186 A C 2.338 179.978 177.584 0.093 0.000 1.186 186 A CA 1.951 54.010 52.037 0.038 0.000 0.624 186 A CB -1.222 17.789 19.000 0.018 0.000 0.822 186 A HN 0.735 nan 8.150 nan 0.000 0.444 187 H N 0.501 119.608 119.070 0.060 0.000 2.456 187 H HA -0.085 4.469 4.556 -0.003 0.000 0.296 187 H C 2.297 177.647 175.328 0.036 0.000 1.079 187 H CA 1.954 58.039 56.048 0.061 0.000 1.322 187 H CB 0.043 29.844 29.762 0.065 0.000 1.388 187 H HN 0.579 nan 8.280 nan 0.000 0.538 188 S N -0.392 115.348 115.700 0.066 0.000 2.446 188 S HA 0.035 4.503 4.470 -0.003 0.000 0.225 188 S C 0.851 175.434 174.600 -0.029 0.000 1.016 188 S CA -0.204 58.002 58.200 0.010 0.000 0.943 188 S CB -0.219 63.006 63.200 0.041 0.000 0.786 188 S HN 0.235 nan 8.310 nan 0.000 0.508 189 L N 3.119 124.327 121.223 -0.025 0.000 2.455 189 L HA 0.202 4.540 4.340 -0.003 0.000 0.272 189 L C -1.050 175.791 176.870 -0.049 0.000 1.174 189 L CA -1.400 53.419 54.840 -0.034 0.000 0.869 189 L CB 0.487 42.526 42.059 -0.034 0.000 1.130 189 L HN 0.145 nan 8.230 nan 0.000 0.474 190 P HA -0.064 nan 4.420 nan 0.000 0.224 190 P C 0.359 177.636 177.300 -0.038 0.000 1.157 190 P CA 1.037 64.111 63.100 -0.043 0.000 0.799 190 P CB 0.187 31.868 31.700 -0.033 0.000 0.809 191 N N -0.580 118.097 118.700 -0.039 0.000 2.276 191 N HA 0.199 4.937 4.740 -0.003 0.000 0.212 191 N C 0.078 175.563 175.510 -0.041 0.000 1.127 191 N CA -0.116 52.911 53.050 -0.038 0.000 0.834 191 N CB 0.034 38.493 38.487 -0.047 0.000 1.014 191 N HN 0.153 nan 8.380 nan 0.000 0.491 192 L N -0.284 120.920 121.223 -0.032 0.000 2.341 192 L HA 0.520 4.858 4.340 -0.003 0.000 0.267 192 L C -0.905 175.982 176.870 0.028 0.000 1.009 192 L CA -1.011 53.821 54.840 -0.013 0.000 0.819 192 L CB 1.901 43.948 42.059 -0.020 0.000 1.323 192 L HN -0.079 nan 8.230 nan 0.000 0.425 193 D N 1.252 121.705 120.400 0.089 0.000 2.549 193 D HA 0.287 4.925 4.640 -0.003 0.000 0.251 193 D C -0.685 175.803 176.300 0.313 0.000 1.153 193 D CA -0.229 53.888 54.000 0.195 0.000 0.861 193 D CB 2.777 43.757 40.800 0.300 0.000 1.207 193 D HN 0.005 nan 8.370 nan 0.000 0.543 194 V N 3.717 123.803 119.914 0.287 0.000 2.415 194 V HA 0.041 4.159 4.120 -0.003 0.000 0.267 194 V C 0.687 176.963 176.094 0.302 0.000 1.042 194 V CA 0.373 62.857 62.300 0.306 0.000 1.000 194 V CB 0.629 32.642 31.823 0.316 0.000 1.015 194 V HN 0.553 nan 8.190 nan 0.000 0.478 195 H N 2.631 121.742 119.070 0.069 0.000 2.594 195 H HA 0.469 5.023 4.556 -0.003 0.000 0.274 195 H C 0.987 176.094 175.328 -0.369 0.000 0.982 195 H CA 0.767 56.783 56.048 -0.054 0.000 1.228 195 H CB 0.952 30.756 29.762 0.069 0.000 1.447 195 H HN 0.738 nan 8.280 nan 0.000 0.485 196 G N -0.621 108.072 108.800 -0.178 0.000 2.788 196 G HA2 0.524 4.483 3.960 -0.003 0.000 0.293 196 G HA3 0.524 4.483 3.960 -0.003 0.000 0.293 196 G C -1.558 173.393 174.900 0.084 0.000 1.392 196 G CA -0.550 44.358 45.100 -0.320 0.000 0.810 196 G HN 0.145 nan 8.290 nan 0.000 0.508 197 I N 0.003 120.638 120.570 0.109 0.000 2.569 197 I HA 0.494 4.662 4.170 -0.003 0.000 0.290 197 I C -1.897 174.331 176.117 0.184 0.000 1.088 197 I CA -0.803 60.622 61.300 0.208 0.000 1.047 197 I CB 2.424 40.509 38.000 0.142 0.000 1.237 197 I HN 0.391 nan 8.210 nan 0.000 0.421 198 D N 7.000 127.513 120.400 0.188 0.000 2.440 198 D HA 0.362 5.000 4.640 -0.003 0.000 0.239 198 D C -1.655 174.765 176.300 0.200 0.000 1.084 198 D CA -0.018 54.102 54.000 0.200 0.000 0.843 198 D CB 1.479 42.395 40.800 0.194 0.000 1.097 198 D HN 0.525 nan 8.370 nan 0.000 0.531 199 C N 6.128 125.557 119.300 0.216 0.000 2.478 199 C HA 0.348 4.807 4.460 -0.003 0.000 0.334 199 C C -0.025 175.100 174.990 0.224 0.000 1.106 199 C CA -0.600 58.532 59.018 0.189 0.000 1.363 199 C CB -0.158 27.656 27.740 0.122 0.000 1.941 199 C HN 0.676 nan 8.230 nan 0.000 0.436 200 H N 6.335 125.416 119.070 0.017 0.000 3.319 200 H HA 0.046 4.600 4.556 -0.003 0.000 0.213 200 H C 1.683 177.036 175.328 0.041 0.000 1.782 200 H CA 0.232 56.289 56.048 0.015 0.000 1.339 200 H CB 0.332 30.082 29.762 -0.021 0.000 1.651 200 H HN 0.842 nan 8.280 nan 0.000 0.622 201 I N -2.367 118.274 120.570 0.119 0.000 2.335 201 I HA -0.099 4.069 4.170 -0.003 0.000 0.251 201 I C 2.323 178.635 176.117 0.326 0.000 1.129 201 I CA 1.450 62.816 61.300 0.110 0.000 1.402 201 I CB -0.402 37.511 38.000 -0.144 0.000 1.069 201 I HN 0.235 nan 8.210 nan 0.000 0.424 202 G N 1.250 110.227 108.800 0.296 0.000 2.422 202 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.218 202 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.218 202 G C 1.730 176.663 174.900 0.055 0.000 1.140 202 G CA 1.033 46.263 45.100 0.216 0.000 0.775 202 G HN 0.612 nan 8.290 nan 0.000 0.545 203 S N -1.046 114.696 115.700 0.071 0.000 2.497 203 S HA 0.123 4.591 4.470 -0.003 0.000 0.218 203 S C 1.892 176.526 174.600 0.057 0.000 1.023 203 S CA 0.187 58.410 58.200 0.038 0.000 0.913 203 S CB 0.109 63.335 63.200 0.044 0.000 0.800 203 S HN 0.426 nan 8.310 nan 0.000 0.505 204 Q N 0.350 120.207 119.800 0.096 0.000 2.402 204 Q HA 0.380 4.718 4.340 -0.003 0.000 0.206 204 Q C -0.325 175.729 176.000 0.091 0.000 0.919 204 Q CA 0.354 56.210 55.803 0.087 0.000 0.923 204 Q CB 0.234 29.026 28.738 0.090 0.000 1.048 204 Q HN 0.489 nan 8.270 nan 0.000 0.515 205 L N 0.809 122.110 121.223 0.131 0.000 2.333 205 L HA 0.300 4.638 4.340 -0.003 0.000 0.280 205 L C 0.324 177.280 176.870 0.143 0.000 1.004 205 L CA -0.358 54.579 54.840 0.161 0.000 0.820 205 L CB 1.876 44.083 42.059 0.246 0.000 1.247 205 L HN -0.013 nan 8.230 nan 0.000 0.416 206 T N -1.365 113.259 114.554 0.115 0.000 3.228 206 T HA 0.634 4.982 4.350 -0.003 0.000 0.278 206 T C 0.027 174.835 174.700 0.181 0.000 1.014 206 T CA -0.256 61.890 62.100 0.078 0.000 0.904 206 T CB 0.517 69.407 68.868 0.037 0.000 1.110 206 T HN 0.524 nan 8.240 nan 0.000 0.541 207 A N 0.707 123.675 122.820 0.248 0.000 2.515 207 A HA 0.764 5.082 4.320 -0.003 0.000 0.298 207 A C 0.529 178.215 177.584 0.171 0.000 1.059 207 A CA -0.770 51.383 52.037 0.193 0.000 0.698 207 A CB 1.217 20.270 19.000 0.088 0.000 1.289 207 A HN 0.188 nan 8.150 nan 0.000 0.404 208 L N 2.097 123.294 121.223 -0.043 0.000 2.027 208 L HA 0.014 4.352 4.340 -0.003 0.000 0.206 208 L C 2.511 179.391 176.870 0.017 0.000 1.074 208 L CA 3.166 57.893 54.840 -0.188 0.000 0.745 208 L CB -0.807 41.057 42.059 -0.325 0.000 0.898 208 L HN 0.893 nan 8.230 nan 0.000 0.433 209 A N 0.656 123.489 122.820 0.022 0.000 1.865 209 A HA -0.121 4.197 4.320 -0.003 0.000 0.217 209 A C -0.008 177.585 177.584 0.014 0.000 1.191 209 A CA 2.059 54.136 52.037 0.066 0.000 0.623 209 A CB -2.236 16.852 19.000 0.147 0.000 0.826 209 A HN 0.504 nan 8.150 nan 0.000 0.444 210 P HA -0.134 nan 4.420 nan 0.000 0.219 210 P C 1.512 178.781 177.300 -0.052 0.000 1.150 210 P CA 0.952 63.836 63.100 -0.360 0.000 0.814 210 P CB -0.222 31.168 31.700 -0.517 0.000 0.787 211 F N 1.011 120.930 119.950 -0.052 0.000 2.102 211 F HA -0.162 4.364 4.527 -0.002 0.000 0.298 211 F C 2.275 178.072 175.800 -0.005 0.000 1.105 211 F CA 1.473 59.490 58.000 0.028 0.000 1.239 211 F CB -0.841 38.243 39.000 0.141 0.000 0.991 211 F HN -0.299 nan 8.300 nan 0.000 0.474 212 I N 0.144 120.779 120.570 0.108 0.000 2.226 212 I HA -0.300 3.868 4.170 -0.003 0.000 0.245 212 I C 2.239 178.318 176.117 -0.063 0.000 1.100 212 I CA 1.769 63.075 61.300 0.009 0.000 1.374 212 I CB -0.612 37.428 38.000 0.065 0.000 1.057 212 I HN 0.186 nan 8.210 nan 0.000 0.413 213 D N 1.133 121.515 120.400 -0.030 0.000 2.104 213 D HA -0.191 4.447 4.640 -0.003 0.000 0.194 213 D C 2.151 178.385 176.300 -0.111 0.000 0.994 213 D CA 1.814 55.795 54.000 -0.031 0.000 0.830 213 D CB 0.041 40.869 40.800 0.046 0.000 0.959 213 D HN 0.300 nan 8.370 nan 0.000 0.452 214 A N -0.578 122.143 122.820 -0.164 0.000 1.930 214 A HA -0.125 4.193 4.320 -0.003 0.000 0.217 214 A C 2.394 179.837 177.584 -0.235 0.000 1.175 214 A CA 2.249 54.154 52.037 -0.219 0.000 0.627 214 A CB -0.960 17.914 19.000 -0.210 0.000 0.815 214 A HN 0.339 nan 8.150 nan 0.000 0.443 215 T N 0.397 114.764 114.554 -0.313 0.000 2.708 215 T HA -0.133 4.215 4.350 -0.003 0.000 0.266 215 T C 1.484 176.086 174.700 -0.164 0.000 1.037 215 T CA 1.595 63.518 62.100 -0.295 0.000 1.146 215 T CB -0.417 68.222 68.868 -0.381 0.000 0.865 215 T HN 0.463 nan 8.240 nan 0.000 0.435 216 D N 0.870 121.199 120.400 -0.119 0.000 2.117 216 D HA -0.020 4.619 4.640 -0.003 0.000 0.198 216 D C 2.395 178.675 176.300 -0.034 0.000 0.982 216 D CA 0.870 54.835 54.000 -0.057 0.000 0.828 216 D CB -0.228 40.554 40.800 -0.030 0.000 0.967 216 D HN 0.326 nan 8.370 nan 0.000 0.464 217 R N -0.035 120.427 120.500 -0.063 0.000 2.081 217 R HA -0.082 4.256 4.340 -0.003 0.000 0.235 217 R C 2.256 178.632 176.300 0.126 0.000 1.131 217 R CA 0.487 56.571 56.100 -0.026 0.000 0.960 217 R CB -0.381 29.761 30.300 -0.263 0.000 0.856 217 R HN 0.136 nan 8.270 nan 0.000 0.436 218 L N 1.140 122.399 121.223 0.059 0.000 2.017 218 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 218 L C 1.908 178.795 176.870 0.028 0.000 1.073 218 L CA 1.705 56.618 54.840 0.122 0.000 0.745 218 L CB -0.403 41.664 42.059 0.015 0.000 0.894 218 L HN 0.128 nan 8.230 nan 0.000 0.432 219 L N -0.558 120.625 121.223 -0.067 0.000 2.083 219 L HA -0.166 4.172 4.340 -0.003 0.000 0.209 219 L C 2.679 179.547 176.870 -0.004 0.000 1.083 219 L CA 1.098 55.840 54.840 -0.164 0.000 0.752 219 L CB -0.964 40.922 42.059 -0.288 0.000 0.899 219 L HN 0.407 nan 8.230 nan 0.000 0.433 220 A N 0.076 122.927 122.820 0.051 0.000 1.933 220 A HA -0.219 4.099 4.320 -0.003 0.000 0.218 220 A C 2.206 179.825 177.584 0.058 0.000 1.175 220 A CA 1.604 53.687 52.037 0.078 0.000 0.628 220 A CB -0.620 18.431 19.000 0.085 0.000 0.814 220 A HN 0.329 nan 8.150 nan 0.000 0.444 221 L N 0.137 121.404 121.223 0.073 0.000 2.046 221 L HA -0.115 4.223 4.340 -0.003 0.000 0.208 221 L C 2.194 179.017 176.870 -0.078 0.000 1.077 221 L CA 1.755 56.586 54.840 -0.015 0.000 0.747 221 L CB -0.509 41.522 42.059 -0.046 0.000 0.896 221 L HN 0.439 nan 8.230 nan 0.000 0.432 222 I N -0.179 120.356 120.570 -0.059 0.000 2.208 222 I HA -0.310 3.859 4.170 -0.003 0.000 0.245 222 I C 2.009 178.098 176.117 -0.046 0.000 1.097 222 I CA 1.496 62.745 61.300 -0.084 0.000 1.363 222 I CB -0.616 37.348 38.000 -0.060 0.000 1.051 222 I HN 0.311 nan 8.210 nan 0.000 0.413 223 D N 0.037 120.455 120.400 0.030 0.000 2.144 223 D HA -0.167 4.471 4.640 -0.003 0.000 0.199 223 D C 2.284 178.560 176.300 -0.039 0.000 0.984 223 D CA 1.430 55.448 54.000 0.031 0.000 0.834 223 D CB -0.238 40.608 40.800 0.076 0.000 0.955 223 D HN 0.183 nan 8.370 nan 0.000 0.465 224 S N -0.227 115.442 115.700 -0.051 0.000 2.383 224 S HA -0.051 4.418 4.470 -0.003 0.000 0.227 224 S C 2.091 176.612 174.600 -0.132 0.000 1.026 224 S CA 0.494 58.649 58.200 -0.075 0.000 0.981 224 S CB -0.193 62.970 63.200 -0.062 0.000 0.818 224 S HN 0.160 nan 8.310 nan 0.000 0.472 225 L N 1.179 122.292 121.223 -0.183 0.000 2.056 225 L HA -0.063 4.275 4.340 -0.003 0.000 0.207 225 L C 2.720 179.400 176.870 -0.316 0.000 1.078 225 L CA 1.604 56.284 54.840 -0.268 0.000 0.749 225 L CB -0.515 41.316 42.059 -0.379 0.000 0.901 225 L HN 0.353 nan 8.230 nan 0.000 0.433 226 K N 0.716 120.946 120.400 -0.284 0.000 2.009 226 K HA -0.217 4.102 4.320 -0.003 0.000 0.210 226 K C 2.141 178.560 176.600 -0.302 0.000 1.049 226 K CA 1.545 57.609 56.287 -0.370 0.000 0.929 226 K CB -0.175 32.236 32.500 -0.149 0.000 0.714 226 K HN 0.240 nan 8.250 nan 0.000 0.440 227 A N 1.139 123.863 122.820 -0.160 0.000 2.032 227 A HA -0.217 4.101 4.320 -0.003 0.000 0.221 227 A C 1.831 179.343 177.584 -0.120 0.000 1.165 227 A CA 1.893 53.869 52.037 -0.102 0.000 0.645 227 A CB -0.456 18.504 19.000 -0.067 0.000 0.807 227 A HN 0.625 nan 8.150 nan 0.000 0.453 228 E N -1.491 118.607 120.200 -0.170 0.000 2.479 228 E HA 0.272 4.620 4.350 -0.003 0.000 0.193 228 E C 1.016 177.486 176.600 -0.218 0.000 1.049 228 E CA 0.427 56.730 56.400 -0.163 0.000 0.870 228 E CB -0.232 29.373 29.700 -0.158 0.000 0.944 228 E HN 0.703 nan 8.360 nan 0.000 0.492 229 G N 1.195 109.814 108.800 -0.303 0.000 2.157 229 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.239 229 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.239 229 G C 0.179 174.801 174.900 -0.463 0.000 0.982 229 G CA 0.171 45.090 45.100 -0.300 0.000 0.650 229 G HN 0.275 nan 8.290 nan 0.000 0.527 230 I N 2.719 122.949 120.570 -0.567 0.000 2.337 230 I HA 0.311 4.479 4.170 -0.003 0.000 0.285 230 I C 0.028 175.871 176.117 -0.456 0.000 1.041 230 I CA -0.779 60.256 61.300 -0.442 0.000 1.199 230 I CB 0.637 38.413 38.000 -0.374 0.000 1.370 230 I HN 0.062 nan 8.210 nan 0.000 0.470 231 H N 7.346 126.348 119.070 -0.113 0.000 2.594 231 H HA 0.432 4.986 4.556 -0.003 0.000 0.304 231 H C -0.134 175.132 175.328 -0.104 0.000 1.068 231 H CA -0.446 55.545 56.048 -0.095 0.000 1.308 231 H CB 1.684 31.408 29.762 -0.063 0.000 1.409 231 H HN 0.421 nan 8.280 nan 0.000 0.460 232 I N 3.696 124.236 120.570 -0.050 0.000 2.342 232 I HA 0.109 4.277 4.170 -0.003 0.000 0.291 232 I C 1.402 177.499 176.117 -0.033 0.000 1.010 232 I CA -0.151 61.098 61.300 -0.085 0.000 1.308 232 I CB 1.269 39.185 38.000 -0.140 0.000 1.400 232 I HN 0.502 nan 8.210 nan 0.000 0.488 233 R N 3.430 123.885 120.500 -0.075 0.000 2.156 233 R HA 0.068 4.406 4.340 -0.003 0.000 0.207 233 R C -0.194 176.165 176.300 0.100 0.000 1.040 233 R CA 0.489 56.591 56.100 0.003 0.000 1.013 233 R CB 0.083 30.389 30.300 0.009 0.000 0.931 233 R HN 0.728 nan 8.270 nan 0.000 0.465 234 H N -1.803 117.329 119.070 0.103 0.000 2.980 234 H HA 0.546 5.100 4.556 -0.003 0.000 0.367 234 H C -1.587 173.793 175.328 0.088 0.000 1.206 234 H CA -1.390 54.721 56.048 0.105 0.000 1.126 234 H CB 1.300 31.132 29.762 0.116 0.000 1.838 234 H HN -0.104 nan 8.280 nan 0.000 0.552 235 L N 1.775 123.142 121.223 0.240 0.000 2.376 235 L HA 0.439 4.777 4.340 -0.003 0.000 0.275 235 L C -1.236 175.684 176.870 0.083 0.000 0.987 235 L CA -0.437 54.481 54.840 0.130 0.000 0.828 235 L CB 1.701 43.780 42.059 0.034 0.000 1.249 235 L HN 0.869 nan 8.230 nan 0.000 0.409 236 D N 3.583 124.043 120.400 0.100 0.000 2.329 236 D HA 0.249 4.888 4.640 -0.003 0.000 0.232 236 D C 0.606 176.874 176.300 -0.053 0.000 1.088 236 D CA -0.190 53.815 54.000 0.009 0.000 0.835 236 D CB 1.833 42.694 40.800 0.101 0.000 1.078 236 D HN 0.465 nan 8.370 nan 0.000 0.495 237 V N 1.872 121.666 119.914 -0.200 0.000 3.542 237 V HA 0.497 4.616 4.120 -0.003 0.000 0.296 237 V C 1.136 177.072 176.094 -0.263 0.000 1.364 237 V CA 0.492 62.688 62.300 -0.172 0.000 1.118 237 V CB -0.658 31.058 31.823 -0.180 0.000 0.972 237 V HN 0.746 nan 8.190 nan 0.000 0.430 238 G N 0.291 108.804 108.800 -0.479 0.000 2.598 238 G HA2 0.102 4.060 3.960 -0.003 0.000 0.244 238 G HA3 0.102 4.060 3.960 -0.003 0.000 0.244 238 G C 0.300 175.049 174.900 -0.253 0.000 1.302 238 G CA -0.056 44.564 45.100 -0.800 0.000 0.903 238 G HN 1.409 nan 8.290 nan 0.000 0.575 239 G N -2.599 106.092 108.800 -0.182 0.000 2.583 239 G HA2 0.690 4.648 3.960 -0.003 0.000 0.280 239 G HA3 0.690 4.648 3.960 -0.003 0.000 0.280 239 G C 1.448 176.367 174.900 0.032 0.000 1.376 239 G CA 1.083 46.173 45.100 -0.016 0.000 1.043 239 G HN 2.620 nan 8.290 nan 0.000 0.538 240 G N -1.996 106.835 108.800 0.051 0.000 2.157 240 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.248 240 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.248 240 G C 0.189 175.086 174.900 -0.006 0.000 0.979 240 G CA 0.369 45.476 45.100 0.012 0.000 0.650 240 G HN 0.642 nan 8.290 nan 0.000 0.529 241 L N 1.667 122.959 121.223 0.114 0.000 2.264 241 L HA 0.618 4.956 4.340 -0.003 0.000 0.287 241 L C 1.231 178.165 176.870 0.106 0.000 1.039 241 L CA -0.329 54.562 54.840 0.085 0.000 0.829 241 L CB 1.231 43.409 42.059 0.199 0.000 1.211 241 L HN 0.200 nan 8.230 nan 0.000 0.427 242 G N 2.302 111.108 108.800 0.011 0.000 2.562 242 G HA2 0.443 4.401 3.960 -0.003 0.000 0.275 242 G HA3 0.443 4.401 3.960 -0.003 0.000 0.275 242 G C -0.213 174.647 174.900 -0.067 0.000 1.196 242 G CA -0.358 44.759 45.100 0.029 0.000 0.908 242 G HN 0.310 nan 8.290 nan 0.000 0.524 243 V N 2.385 122.273 119.914 -0.043 0.000 2.294 243 V HA 0.154 4.272 4.120 -0.003 0.000 0.258 243 V C 0.927 177.008 176.094 -0.022 0.000 1.080 243 V CA -0.585 61.650 62.300 -0.107 0.000 1.128 243 V CB -0.128 31.607 31.823 -0.148 0.000 1.323 243 V HN 0.769 nan 8.190 nan 0.000 0.498 253 P HA 0.001 nan 4.420 nan 0.000 0.268 253 P C -0.255 176.984 177.300 -0.101 0.000 1.205 253 P CA 0.575 63.575 63.100 -0.166 0.000 0.771 253 P CB 0.871 32.472 31.700 -0.166 0.000 0.858 254 S N 1.523 117.171 115.700 -0.087 0.000 2.596 254 S HA 0.049 4.517 4.470 -0.003 0.000 0.260 254 S C 1.216 175.799 174.600 -0.029 0.000 1.336 254 S CA -0.279 57.908 58.200 -0.021 0.000 0.993 254 S CB 0.259 63.480 63.200 0.035 0.000 0.923 254 S HN 0.460 nan 8.310 nan 0.000 0.567 255 E N 0.284 120.458 120.200 -0.043 0.000 2.097 255 E HA -0.201 4.147 4.350 -0.003 0.000 0.196 255 E C 1.567 178.034 176.600 -0.222 0.000 1.000 255 E CA 1.936 58.243 56.400 -0.155 0.000 0.804 255 E CB -0.395 29.141 29.700 -0.273 0.000 0.740 255 E HN 0.801 nan 8.360 nan 0.000 0.454 256 Y N 0.478 120.597 120.300 -0.302 0.000 2.070 256 Y HA -0.253 4.295 4.550 -0.003 0.000 0.280 256 Y C 2.533 178.289 175.900 -0.239 0.000 1.148 256 Y CA 1.148 58.875 58.100 -0.622 0.000 1.125 256 Y CB -0.595 37.329 38.460 -0.893 0.000 0.975 256 Y HN 0.055 nan 8.280 nan 0.000 0.492 257 A N 0.128 122.967 122.820 0.033 0.000 1.908 257 A HA -0.268 4.050 4.320 -0.003 0.000 0.218 257 A C 2.211 179.822 177.584 0.045 0.000 1.181 257 A CA 2.113 54.188 52.037 0.063 0.000 0.627 257 A CB -0.724 18.231 19.000 -0.074 0.000 0.818 257 A HN 0.465 nan 8.150 nan 0.000 0.445 258 K N -0.421 119.975 120.400 -0.007 0.000 2.025 258 K HA -0.045 4.273 4.320 -0.003 0.000 0.207 258 K C 2.172 178.788 176.600 0.026 0.000 1.049 258 K CA 1.179 57.458 56.287 -0.013 0.000 0.933 258 K CB -0.361 32.116 32.500 -0.038 0.000 0.714 258 K HN 0.341 nan 8.250 nan 0.000 0.438 259 A N 1.409 124.259 122.820 0.051 0.000 1.940 259 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 259 A C 2.035 179.712 177.584 0.156 0.000 1.176 259 A CA 1.534 53.634 52.037 0.105 0.000 0.631 259 A CB -0.634 18.457 19.000 0.152 0.000 0.814 259 A HN 0.415 nan 8.150 nan 0.000 0.446 260 L N -0.193 121.176 121.223 0.243 0.000 1.988 260 L HA -0.076 4.262 4.340 -0.003 0.000 0.207 260 L C 2.316 179.206 176.870 0.033 0.000 1.071 260 L CA 1.810 56.750 54.840 0.166 0.000 0.744 260 L CB -0.752 41.465 42.059 0.262 0.000 0.893 260 L HN 0.396 nan 8.230 nan 0.000 0.433 261 L N -0.209 121.025 121.223 0.018 0.000 2.043 261 L HA -0.282 4.056 4.340 -0.003 0.000 0.212 261 L C 2.322 179.153 176.870 -0.064 0.000 1.075 261 L CA 1.558 56.356 54.840 -0.070 0.000 0.752 261 L CB -1.046 40.980 42.059 -0.055 0.000 0.891 261 L HN 0.345 nan 8.230 nan 0.000 0.432 262 D N 0.053 120.445 120.400 -0.014 0.000 2.123 262 D HA -0.170 4.468 4.640 -0.003 0.000 0.196 262 D C 2.309 178.618 176.300 0.016 0.000 0.992 262 D CA 1.267 55.269 54.000 0.004 0.000 0.833 262 D CB -0.178 40.630 40.800 0.013 0.000 0.954 262 D HN 0.320 nan 8.370 nan 0.000 0.455 263 R N -0.149 120.359 120.500 0.014 0.000 2.235 263 R HA 0.115 4.453 4.340 -0.003 0.000 0.213 263 R C 2.110 178.456 176.300 0.078 0.000 1.059 263 R CA 0.234 56.358 56.100 0.040 0.000 0.997 263 R CB -0.001 30.304 30.300 0.008 0.000 0.884 263 R HN 0.219 nan 8.270 nan 0.000 0.462 264 L N 0.379 121.596 121.223 -0.010 0.000 2.446 264 L HA 0.001 4.340 4.340 -0.003 0.000 0.219 264 L C 1.812 178.757 176.870 0.125 0.000 1.116 264 L CA 0.580 55.412 54.840 -0.013 0.000 0.844 264 L CB -0.109 41.742 42.059 -0.346 0.000 0.970 264 L HN 0.158 nan 8.230 nan 0.000 0.457 265 E N 0.976 121.236 120.200 0.100 0.000 2.085 265 E HA -0.284 4.065 4.350 -0.003 0.000 0.194 265 E C 2.157 178.870 176.600 0.188 0.000 0.994 265 E CA 1.687 58.198 56.400 0.184 0.000 0.801 265 E CB -0.114 29.653 29.700 0.112 0.000 0.743 265 E HN 0.583 nan 8.360 nan 0.000 0.453 266 R N 0.665 121.240 120.500 0.125 0.000 2.115 266 R HA -0.034 4.305 4.340 -0.003 0.000 0.226 266 R C 0.542 176.851 176.300 0.015 0.000 1.100 266 R CA 0.975 57.098 56.100 0.038 0.000 0.980 266 R CB -0.577 29.700 30.300 -0.038 0.000 0.875 266 R HN 0.126 nan 8.270 nan 0.000 0.445 267 H N 1.423 120.564 119.070 0.118 0.000 3.205 267 H HA 0.311 4.866 4.556 -0.003 0.000 0.262 267 H C -0.408 175.048 175.328 0.213 0.000 1.333 267 H CA 0.144 56.271 56.048 0.133 0.000 1.499 267 H CB 0.224 30.049 29.762 0.104 0.000 1.609 267 H HN 0.166 nan 8.280 nan 0.000 0.498 268 R N 1.264 121.881 120.500 0.196 0.000 2.817 268 R HA 0.191 4.529 4.340 -0.003 0.000 0.268 268 R C -1.042 175.304 176.300 0.077 0.000 1.027 268 R CA -1.071 55.106 56.100 0.129 0.000 0.928 268 R CB 1.582 31.908 30.300 0.043 0.000 1.228 268 R HN 0.469 nan 8.270 nan 0.000 0.469 269 D N 2.452 122.881 120.400 0.047 0.000 2.483 269 D HA 0.142 4.781 4.640 -0.003 0.000 0.220 269 D C -0.737 175.597 176.300 0.056 0.000 1.173 269 D CA 0.028 54.039 54.000 0.019 0.000 0.964 269 D CB 0.576 41.374 40.800 -0.002 0.000 1.046 269 D HN 0.002 nan 8.370 nan 0.000 0.517 270 L N 2.018 123.298 121.223 0.096 0.000 2.342 270 L HA 0.222 4.561 4.340 -0.003 0.000 0.276 270 L C -0.015 176.984 176.870 0.215 0.000 0.997 270 L CA -0.650 54.297 54.840 0.178 0.000 0.838 270 L CB 1.620 43.833 42.059 0.257 0.000 1.224 270 L HN 0.135 nan 8.230 nan 0.000 0.416 271 E N 4.637 124.958 120.200 0.202 0.000 2.338 271 E HA 0.279 4.627 4.350 -0.003 0.000 0.272 271 E C -1.215 175.561 176.600 0.293 0.000 1.029 271 E CA -0.408 56.125 56.400 0.221 0.000 0.872 271 E CB 0.754 30.557 29.700 0.171 0.000 1.015 271 E HN 0.631 nan 8.360 nan 0.000 0.417 272 L N 6.044 127.482 121.223 0.359 0.000 2.275 272 L HA 0.420 4.758 4.340 -0.003 0.000 0.288 272 L C -0.168 176.768 176.870 0.110 0.000 1.046 272 L CA -0.645 54.306 54.840 0.185 0.000 0.805 272 L CB 1.057 43.227 42.059 0.186 0.000 1.193 272 L HN 0.544 nan 8.230 nan 0.000 0.426 273 I N 3.158 123.677 120.570 -0.085 0.000 2.378 273 I HA 0.381 4.549 4.170 -0.003 0.000 0.291 273 I C -0.754 175.218 176.117 -0.242 0.000 0.992 273 I CA -0.320 60.954 61.300 -0.044 0.000 1.154 273 I CB 1.468 39.448 38.000 -0.033 0.000 1.315 273 I HN 0.341 nan 8.210 nan 0.000 0.448 274 F N 3.609 123.608 119.950 0.082 0.000 2.522 274 F HA 0.404 4.929 4.527 -0.003 0.000 0.324 274 F C 0.563 176.328 175.800 -0.058 0.000 1.077 274 F CA -0.568 57.465 58.000 0.056 0.000 0.944 274 F CB 1.617 40.744 39.000 0.212 0.000 1.175 274 F HN 0.389 nan 8.300 nan 0.000 0.468 275 E N 2.627 122.868 120.200 0.068 0.000 3.582 275 E HA 0.183 4.531 4.350 -0.003 0.000 0.217 275 E C -2.510 174.036 176.600 -0.090 0.000 1.092 275 E CA -1.705 54.670 56.400 -0.041 0.000 1.365 275 E CB 0.369 30.022 29.700 -0.078 0.000 1.278 275 E HN 0.213 nan 8.360 nan 0.000 0.439 276 P HA 0.054 nan 4.420 nan 0.000 0.271 276 P C 0.207 177.437 177.300 -0.117 0.000 1.218 276 P CA 0.277 63.246 63.100 -0.218 0.000 0.780 276 P CB 2.103 33.403 31.700 -0.665 0.000 0.901 277 G N 2.638 111.408 108.800 -0.050 0.000 2.467 277 G HA2 0.022 3.980 3.960 -0.003 0.000 0.178 277 G HA3 0.022 3.980 3.960 -0.003 0.000 0.178 277 G C 1.361 176.307 174.900 0.077 0.000 1.461 277 G CA -0.167 44.890 45.100 -0.071 0.000 0.675 277 G HN 0.325 nan 8.290 nan 0.000 0.659 278 R N 0.846 121.418 120.500 0.120 0.000 2.117 278 R HA -0.031 4.308 4.340 -0.003 0.000 0.243 278 R C 2.758 179.100 176.300 0.071 0.000 1.143 278 R CA 1.388 57.566 56.100 0.131 0.000 0.968 278 R CB -0.314 30.092 30.300 0.177 0.000 0.863 278 R HN 0.341 nan 8.270 nan 0.000 0.444 279 A N 0.815 123.675 122.820 0.067 0.000 2.067 279 A HA -0.094 4.224 4.320 -0.003 0.000 0.219 279 A C 1.891 179.499 177.584 0.040 0.000 1.158 279 A CA 1.037 53.114 52.037 0.067 0.000 0.661 279 A CB -0.138 18.954 19.000 0.153 0.000 0.801 279 A HN 0.093 nan 8.150 nan 0.000 0.452 280 I N -1.382 119.228 120.570 0.067 0.000 2.556 280 I HA 0.058 4.226 4.170 -0.003 0.000 0.251 280 I C 2.535 178.686 176.117 0.057 0.000 1.105 280 I CA 1.401 62.766 61.300 0.108 0.000 1.436 280 I CB -1.357 36.746 38.000 0.172 0.000 1.139 280 I HN 0.300 nan 8.210 nan 0.000 0.438 281 A N 0.334 123.199 122.820 0.075 0.000 2.140 281 A HA 0.405 4.724 4.320 -0.003 0.000 0.209 281 A C 2.418 180.018 177.584 0.026 0.000 1.181 281 A CA 0.843 52.901 52.037 0.035 0.000 0.824 281 A CB -0.360 18.680 19.000 0.068 0.000 0.879 281 A HN 0.264 nan 8.150 nan 0.000 0.480 282 A N 1.447 124.281 122.820 0.023 0.000 1.859 282 A HA -0.278 4.040 4.320 -0.003 0.000 0.217 282 A C 1.717 179.353 177.584 0.086 0.000 1.198 282 A CA 2.101 54.173 52.037 0.059 0.000 0.629 282 A CB -0.887 18.151 19.000 0.063 0.000 0.830 282 A HN 0.649 nan 8.150 nan 0.000 0.446 283 N N -0.321 118.405 118.700 0.044 0.000 2.467 283 N HA 0.222 4.960 4.740 -0.003 0.000 0.184 283 N C 1.354 177.057 175.510 0.321 0.000 1.106 283 N CA 0.544 53.687 53.050 0.155 0.000 0.892 283 N CB -0.082 38.488 38.487 0.138 0.000 0.969 283 N HN 0.502 nan 8.380 nan 0.000 0.454 284 A N 0.323 123.310 122.820 0.279 0.000 2.209 284 A HA 0.233 4.551 4.320 -0.003 0.000 0.212 284 A C 1.053 178.982 177.584 0.576 0.000 1.158 284 A CA 0.535 52.805 52.037 0.388 0.000 0.742 284 A CB -0.132 18.999 19.000 0.218 0.000 0.790 284 A HN 0.256 nan 8.150 nan 0.000 0.472 285 G N -1.027 108.056 108.800 0.472 0.000 2.563 285 G HA2 0.560 4.518 3.960 -0.003 0.000 0.302 285 G HA3 0.560 4.518 3.960 -0.003 0.000 0.302 285 G C -0.833 174.081 174.900 0.023 0.000 1.301 285 G CA 0.117 45.490 45.100 0.456 0.000 0.965 285 G HN 0.909 nan 8.290 nan 0.000 0.480 286 V N -0.646 119.125 119.914 -0.239 0.000 2.914 286 V HA 0.856 4.974 4.120 -0.003 0.000 0.314 286 V C -1.046 174.895 176.094 -0.256 0.000 1.084 286 V CA -1.306 60.767 62.300 -0.379 0.000 0.963 286 V CB 1.807 33.183 31.823 -0.745 0.000 1.025 286 V HN 0.762 nan 8.190 nan 0.000 0.432 287 L N 4.042 125.086 121.223 -0.298 0.000 2.298 287 L HA 0.716 5.054 4.340 -0.003 0.000 0.284 287 L C -0.374 176.307 176.870 -0.316 0.000 1.013 287 L CA -0.139 54.426 54.840 -0.459 0.000 0.824 287 L CB 1.431 43.150 42.059 -0.567 0.000 1.221 287 L HN 0.675 nan 8.230 nan 0.000 0.418 288 V N 4.403 124.150 119.914 -0.279 0.000 2.498 288 V HA 0.593 4.711 4.120 -0.003 0.000 0.279 288 V C 0.405 176.396 176.094 -0.170 0.000 1.048 288 V CA -0.194 61.992 62.300 -0.191 0.000 0.967 288 V CB 1.176 32.912 31.823 -0.146 0.000 0.988 288 V HN 0.888 nan 8.190 nan 0.000 0.473 289 T N 4.478 118.950 114.554 -0.136 0.000 2.900 289 T HA 0.485 4.833 4.350 -0.003 0.000 0.303 289 T C -0.991 173.651 174.700 -0.098 0.000 1.142 289 T CA -0.758 61.271 62.100 -0.117 0.000 1.007 289 T CB 1.741 70.539 68.868 -0.117 0.000 1.156 289 T HN 0.753 nan 8.240 nan 0.000 0.490 290 K N 2.748 123.091 120.400 -0.096 0.000 2.182 290 K HA 0.675 4.994 4.320 -0.003 0.000 0.262 290 K C -0.919 175.612 176.600 -0.114 0.000 0.957 290 K CA -0.720 55.509 56.287 -0.097 0.000 0.842 290 K CB 1.379 33.822 32.500 -0.095 0.000 1.099 290 K HN 0.424 nan 8.250 nan 0.000 0.438 291 V N 5.284 125.130 119.914 -0.114 0.000 2.439 291 V HA 0.010 4.128 4.120 -0.003 0.000 0.271 291 V C 0.975 176.963 176.094 -0.177 0.000 1.040 291 V CA 0.005 62.227 62.300 -0.129 0.000 1.002 291 V CB 0.974 32.725 31.823 -0.119 0.000 1.000 291 V HN 0.890 nan 8.190 nan 0.000 0.477 292 E N 3.621 123.659 120.200 -0.269 0.000 2.030 292 E HA 0.095 4.444 4.350 -0.003 0.000 0.189 292 E C -0.183 176.061 176.600 -0.593 0.000 0.974 292 E CA 1.228 57.292 56.400 -0.559 0.000 0.807 292 E CB 0.198 29.386 29.700 -0.854 0.000 0.771 292 E HN 0.566 nan 8.360 nan 0.000 0.451 293 F N -0.543 119.394 119.950 -0.020 0.000 2.599 293 F HA 0.420 4.944 4.527 -0.004 0.000 0.311 293 F C -0.327 175.456 175.800 -0.028 0.000 1.076 293 F CA -0.882 57.110 58.000 -0.012 0.000 0.937 293 F CB 1.202 40.201 39.000 -0.001 0.000 1.282 293 F HN -0.245 nan 8.300 nan 0.000 0.460 294 L N 2.690 124.027 121.223 0.191 0.000 2.301 294 L HA 0.432 4.771 4.340 -0.003 0.000 0.278 294 L C -0.299 176.556 176.870 -0.025 0.000 1.022 294 L CA -0.517 54.342 54.840 0.032 0.000 0.854 294 L CB 1.338 43.419 42.059 0.038 0.000 1.226 294 L HN 0.541 nan 8.230 nan 0.000 0.429 295 K N 3.611 124.017 120.400 0.010 0.000 2.253 295 K HA 0.314 4.632 4.320 -0.003 0.000 0.277 295 K C -0.837 175.759 176.600 -0.008 0.000 1.053 295 K CA -0.540 55.781 56.287 0.055 0.000 0.892 295 K CB 0.557 33.149 32.500 0.154 0.000 1.102 295 K HN 0.500 nan 8.250 nan 0.000 0.469 296 H N 2.721 121.883 119.070 0.154 0.000 2.476 296 H HA 0.186 4.740 4.556 -0.004 0.000 0.328 296 H C 0.176 175.521 175.328 0.028 0.000 1.073 296 H CA -0.356 55.741 56.048 0.083 0.000 1.229 296 H CB 1.823 31.617 29.762 0.054 0.000 1.432 296 H HN 0.775 nan 8.280 nan 0.000 0.477 297 T N -0.406 114.200 114.554 0.087 0.000 2.807 297 T HA 0.367 4.716 4.350 -0.003 0.000 0.277 297 T C -0.077 174.471 174.700 -0.253 0.000 1.006 297 T CA -1.163 60.928 62.100 -0.014 0.000 1.006 297 T CB 1.853 70.773 68.868 0.088 0.000 1.274 297 T HN 0.652 nan 8.240 nan 0.000 0.569 298 E N 0.698 120.720 120.200 -0.297 0.000 2.173 298 E HA 0.314 4.663 4.350 -0.003 0.000 0.249 298 E C -1.103 175.434 176.600 -0.104 0.000 0.923 298 E CA -0.940 55.134 56.400 -0.544 0.000 0.754 298 E CB 0.230 29.716 29.700 -0.357 0.000 1.177 298 E HN 0.618 nan 8.360 nan 0.000 0.430 299 H N 3.265 122.329 119.070 -0.009 0.000 3.036 299 H HA 0.380 4.934 4.556 -0.002 0.000 0.295 299 H C -1.242 174.037 175.328 -0.082 0.000 1.124 299 H CA -0.591 55.438 56.048 -0.033 0.000 1.507 299 H CB 1.463 31.203 29.762 -0.037 0.000 1.591 299 H HN 0.485 nan 8.280 nan 0.000 0.510 300 K N 3.059 123.417 120.400 -0.069 0.000 2.557 300 K HA 0.256 4.575 4.320 -0.003 0.000 0.257 300 K C -1.364 175.001 176.600 -0.393 0.000 0.933 300 K CA -0.740 55.395 56.287 -0.254 0.000 0.820 300 K CB 1.716 34.021 32.500 -0.325 0.000 1.330 300 K HN 0.404 nan 8.250 nan 0.000 0.432 301 N N 2.863 121.285 118.700 -0.464 0.000 2.362 301 N HA 0.468 5.206 4.740 -0.003 0.000 0.298 301 N C -1.341 173.925 175.510 -0.407 0.000 1.048 301 N CA -0.240 52.602 53.050 -0.347 0.000 0.858 301 N CB 0.856 39.139 38.487 -0.340 0.000 1.218 301 N HN 0.290 nan 8.380 nan 0.000 0.488 302 F N 0.372 120.386 119.950 0.106 0.000 2.493 302 F HA 0.545 5.072 4.527 -0.000 0.000 0.329 302 F C 0.310 176.170 175.800 0.100 0.000 1.126 302 F CA -1.125 56.946 58.000 0.118 0.000 0.937 302 F CB 1.540 40.574 39.000 0.056 0.000 1.146 302 F HN 0.397 nan 8.300 nan 0.000 0.442 303 A N 5.283 128.233 122.820 0.216 0.000 2.280 303 A HA 0.647 4.965 4.320 -0.003 0.000 0.320 303 A C -0.335 177.288 177.584 0.065 0.000 1.366 303 A CA -0.489 51.540 52.037 -0.013 0.000 0.938 303 A CB -0.340 18.506 19.000 -0.257 0.000 1.157 303 A HN 0.774 nan 8.150 nan 0.000 0.536 304 I N 4.796 125.418 120.570 0.086 0.000 2.363 304 I HA 0.202 4.370 4.170 -0.003 0.000 0.292 304 I C 0.346 176.447 176.117 -0.026 0.000 1.075 304 I CA 0.166 61.511 61.300 0.076 0.000 1.333 304 I CB 0.241 38.342 38.000 0.168 0.000 1.415 304 I HN 0.642 nan 8.210 nan 0.000 0.502 305 I N 2.686 123.242 120.570 -0.024 0.000 2.947 305 I HA 0.465 4.633 4.170 -0.003 0.000 0.314 305 I C 0.589 176.665 176.117 -0.069 0.000 1.028 305 I CA -0.776 60.485 61.300 -0.065 0.000 1.077 305 I CB 1.413 39.382 38.000 -0.052 0.000 1.274 305 I HN 0.473 nan 8.210 nan 0.000 0.485 306 D N 1.764 122.112 120.400 -0.086 0.000 2.340 306 D HA 0.140 4.778 4.640 -0.003 0.000 0.220 306 D C 0.568 176.836 176.300 -0.054 0.000 1.039 306 D CA 0.007 53.961 54.000 -0.077 0.000 0.866 306 D CB 0.024 40.771 40.800 -0.089 0.000 0.913 306 D HN 0.649 nan 8.370 nan 0.000 0.523 307 A N 0.095 122.882 122.820 -0.055 0.000 2.301 307 A HA 0.700 5.018 4.320 -0.003 0.000 0.298 307 A C 0.119 177.691 177.584 -0.020 0.000 1.185 307 A CA -0.205 51.803 52.037 -0.049 0.000 0.830 307 A CB 0.849 19.799 19.000 -0.084 0.000 1.112 307 A HN 0.349 nan 8.150 nan 0.000 0.508 308 A N 2.352 125.171 122.820 -0.002 0.000 2.347 308 A HA 0.626 4.945 4.320 -0.003 0.000 0.301 308 A C 1.145 178.743 177.584 0.023 0.000 1.163 308 A CA -0.138 51.910 52.037 0.018 0.000 0.860 308 A CB 0.455 19.473 19.000 0.029 0.000 1.367 308 A HN 1.308 nan 8.150 nan 0.000 0.461 309 M N 0.512 120.134 119.600 0.035 0.000 2.267 309 M HA -0.142 4.336 4.480 -0.003 0.000 0.263 309 M C 1.319 177.646 176.300 0.045 0.000 1.063 309 M CA 2.362 57.675 55.300 0.022 0.000 1.090 309 M CB -0.873 31.744 32.600 0.030 0.000 1.392 309 M HN 0.776 nan 8.290 nan 0.000 0.422 310 N N 0.509 119.259 118.700 0.084 0.000 2.396 310 N HA -0.157 4.581 4.740 -0.003 0.000 0.180 310 N C 0.648 176.180 175.510 0.037 0.000 1.028 310 N CA 1.368 54.464 53.050 0.077 0.000 0.893 310 N CB -0.401 38.153 38.487 0.112 0.000 0.967 310 N HN 0.504 nan 8.380 nan 0.000 0.440 311 D N 0.199 120.632 120.400 0.055 0.000 2.262 311 D HA 0.087 4.725 4.640 -0.003 0.000 0.212 311 D C 0.038 176.442 176.300 0.173 0.000 0.964 311 D CA 0.317 54.380 54.000 0.106 0.000 0.875 311 D CB 0.602 41.446 40.800 0.075 0.000 0.996 311 D HN 0.212 nan 8.370 nan 0.000 0.497 312 L N 0.867 122.149 121.223 0.099 0.000 2.596 312 L HA 0.363 4.701 4.340 -0.003 0.000 0.265 312 L C -1.317 175.569 176.870 0.026 0.000 0.962 312 L CA -0.291 54.617 54.840 0.113 0.000 0.891 312 L CB 2.043 44.161 42.059 0.099 0.000 1.248 312 L HN -0.161 nan 8.230 nan 0.000 0.410 313 I N 5.258 125.839 120.570 0.019 0.000 2.541 313 I HA 0.395 4.564 4.170 -0.003 0.000 0.295 313 I C 0.947 177.037 176.117 -0.045 0.000 1.137 313 I CA -0.169 61.111 61.300 -0.033 0.000 1.256 313 I CB -0.086 37.897 38.000 -0.030 0.000 1.648 313 I HN 0.902 nan 8.210 nan 0.000 0.570 322 Q N 3.615 123.099 119.800 -0.527 0.000 2.333 322 Q HA 0.214 4.552 4.340 -0.003 0.000 0.267 322 Q C -0.837 174.536 176.000 -1.045 0.000 1.012 322 Q CA -1.013 54.461 55.803 -0.548 0.000 0.824 322 Q CB 2.212 30.799 28.738 -0.253 0.000 1.290 322 Q HN 0.309 nan 8.270 nan 0.000 0.449 323 D N 2.396 122.229 120.400 -0.945 0.000 2.425 323 D HA 0.153 4.791 4.640 -0.003 0.000 0.247 323 D C -0.955 175.139 176.300 -0.343 0.000 1.147 323 D CA 0.305 53.876 54.000 -0.716 0.000 0.879 323 D CB 0.538 41.213 40.800 -0.208 0.000 1.179 323 D HN 0.375 nan 8.370 nan 0.000 0.456 324 I N 5.589 126.016 120.570 -0.238 0.000 2.382 324 I HA 0.307 4.475 4.170 -0.003 0.000 0.285 324 I C -0.025 176.074 176.117 -0.029 0.000 1.007 324 I CA -0.805 60.419 61.300 -0.126 0.000 1.142 324 I CB 0.920 38.851 38.000 -0.114 0.000 1.289 324 I HN 0.304 nan 8.210 nan 0.000 0.453 325 I N 5.010 125.577 120.570 -0.005 0.000 2.785 325 I HA 0.725 4.893 4.170 -0.003 0.000 0.302 325 I C -2.784 173.383 176.117 0.083 0.000 1.069 325 I CA -2.585 58.763 61.300 0.080 0.000 1.045 325 I CB 2.437 40.531 38.000 0.156 0.000 1.236 325 I HN 0.165 nan 8.210 nan 0.000 0.429 326 P HA 0.185 nan 4.420 nan 0.000 0.279 326 P C 0.208 177.622 177.300 0.190 0.000 1.239 326 P CA -0.417 62.751 63.100 0.114 0.000 0.789 326 P CB 1.723 33.477 31.700 0.090 0.000 0.933 327 L N 1.682 122.969 121.223 0.107 0.000 2.141 327 L HA 0.016 4.354 4.340 -0.003 0.000 0.209 327 L C 1.611 178.599 176.870 0.196 0.000 1.094 327 L CA 1.684 56.593 54.840 0.116 0.000 0.763 327 L CB -0.707 41.369 42.059 0.027 0.000 0.908 327 L HN 0.481 nan 8.230 nan 0.000 0.437 328 R N -0.204 120.381 120.500 0.142 0.000 2.576 328 R HA 0.299 4.637 4.340 -0.003 0.000 0.283 328 R C -2.550 173.789 176.300 0.065 0.000 1.493 328 R CA -1.657 54.513 56.100 0.116 0.000 1.170 328 R CB 1.042 31.384 30.300 0.071 0.000 1.189 328 R HN -0.119 nan 8.270 nan 0.000 0.542 329 P HA 0.008 nan 4.420 nan 0.000 0.265 329 P C -0.775 176.517 177.300 -0.014 0.000 1.193 329 P CA 0.209 63.294 63.100 -0.026 0.000 0.765 329 P CB 0.585 32.193 31.700 -0.154 0.000 0.823 330 R N 2.060 122.561 120.500 0.002 0.000 2.540 330 R HA 0.337 4.676 4.340 -0.003 0.000 0.287 330 R C 0.186 176.489 176.300 0.005 0.000 0.980 330 R CA -0.896 55.209 56.100 0.009 0.000 0.966 330 R CB 0.931 31.244 30.300 0.021 0.000 1.106 330 R HN 0.442 nan 8.270 nan 0.000 0.480 331 Q N 1.299 121.102 119.800 0.006 0.000 2.267 331 Q HA 0.447 4.785 4.340 -0.003 0.000 0.255 331 Q C -0.168 175.841 176.000 0.015 0.000 0.923 331 Q CA 0.282 56.088 55.803 0.005 0.000 0.925 331 Q CB 1.676 30.415 28.738 0.002 0.000 1.195 331 Q HN 0.913 nan 8.270 nan 0.000 0.417 332 G N 3.103 111.914 108.800 0.017 0.000 2.345 332 G HA2 0.037 3.995 3.960 -0.003 0.000 0.285 332 G HA3 0.037 3.995 3.960 -0.003 0.000 0.285 332 G C -1.589 173.328 174.900 0.027 0.000 1.297 332 G CA -0.859 44.256 45.100 0.024 0.000 0.875 332 G HN 0.495 nan 8.290 nan 0.000 0.506 333 E N 0.564 120.783 120.200 0.033 0.000 2.081 333 E HA 0.552 4.901 4.350 -0.003 0.000 0.276 333 E C 0.499 177.129 176.600 0.050 0.000 0.950 333 E CA -0.248 56.170 56.400 0.030 0.000 0.776 333 E CB 1.705 31.416 29.700 0.017 0.000 1.094 333 E HN 0.815 nan 8.360 nan 0.000 0.402 334 A N 4.024 126.876 122.820 0.053 0.000 2.483 334 A HA 0.096 4.414 4.320 -0.003 0.000 0.238 334 A C -0.038 177.577 177.584 0.051 0.000 1.070 334 A CA 0.123 52.209 52.037 0.082 0.000 0.770 334 A CB 0.406 19.451 19.000 0.076 0.000 1.008 334 A HN 0.634 nan 8.150 nan 0.000 0.497 335 Q N 0.117 119.955 119.800 0.064 0.000 2.413 335 Q HA 0.455 4.793 4.340 -0.003 0.000 0.276 335 Q C -0.986 174.854 176.000 -0.266 0.000 1.099 335 Q CA -0.747 54.977 55.803 -0.132 0.000 0.814 335 Q CB 2.081 30.687 28.738 -0.221 0.000 1.379 335 Q HN 0.701 nan 8.270 nan 0.000 0.436 336 T N 1.989 116.359 114.554 -0.305 0.000 2.794 336 T HA 0.390 4.738 4.350 -0.003 0.000 0.296 336 T C -0.996 173.457 174.700 -0.411 0.000 0.949 336 T CA 0.089 62.057 62.100 -0.219 0.000 1.101 336 T CB -0.015 68.778 68.868 -0.125 0.000 0.905 336 T HN 0.255 nan 8.240 nan 0.000 0.516 337 Y N 0.659 120.946 120.300 -0.022 0.000 2.512 337 Y HA 0.406 4.953 4.550 -0.006 0.000 0.348 337 Y C -0.018 175.851 175.900 -0.052 0.000 0.990 337 Y CA -1.434 56.630 58.100 -0.061 0.000 1.033 337 Y CB 1.502 39.952 38.460 -0.017 0.000 1.259 337 Y HN 0.484 nan 8.280 nan 0.000 0.461 338 D N 2.197 122.641 120.400 0.072 0.000 2.225 338 D HA 0.314 4.952 4.640 -0.003 0.000 0.248 338 D C -0.854 175.565 176.300 0.198 0.000 1.096 338 D CA -0.236 53.821 54.000 0.095 0.000 0.863 338 D CB 1.213 42.049 40.800 0.060 0.000 1.156 338 D HN 0.235 nan 8.370 nan 0.000 0.450 339 L N 3.325 124.654 121.223 0.175 0.000 2.259 339 L HA 0.318 4.656 4.340 -0.003 0.000 0.288 339 L C 0.020 177.011 176.870 0.201 0.000 1.051 339 L CA -0.686 54.243 54.840 0.148 0.000 0.824 339 L CB 0.368 42.478 42.059 0.086 0.000 1.206 339 L HN 0.173 nan 8.230 nan 0.000 0.429 340 V N 0.471 120.503 119.914 0.198 0.000 2.715 340 V HA 0.958 5.076 4.120 -0.003 0.000 0.310 340 V C 0.528 176.696 176.094 0.122 0.000 1.054 340 V CA -0.681 61.743 62.300 0.207 0.000 0.928 340 V CB 1.472 33.422 31.823 0.212 0.000 1.007 340 V HN 0.675 nan 8.190 nan 0.000 0.437 341 G N 2.154 111.020 108.800 0.111 0.000 2.621 341 G HA2 0.547 4.505 3.960 -0.003 0.000 0.271 341 G HA3 0.547 4.505 3.960 -0.003 0.000 0.271 341 G C -1.501 173.427 174.900 0.046 0.000 1.236 341 G CA -0.765 44.370 45.100 0.059 0.000 0.958 341 G HN 0.727 nan 8.290 nan 0.000 0.512 342 P HA 0.064 nan 4.420 nan 0.000 0.255 342 P C 1.231 178.543 177.300 0.020 0.000 1.248 342 P CA 0.198 63.311 63.100 0.021 0.000 0.807 342 P CB 0.089 31.787 31.700 -0.005 0.000 1.150 343 V N -1.641 118.285 119.914 0.020 0.000 5.049 343 V HA 0.321 4.440 4.120 -0.003 0.000 0.272 343 V C 0.796 176.900 176.094 0.017 0.000 1.299 343 V CA 0.132 62.435 62.300 0.006 0.000 0.684 343 V CB -0.639 31.179 31.823 -0.008 0.000 1.251 343 V HN -0.045 nan 8.190 nan 0.000 0.380 344 C N 0.888 120.206 119.300 0.029 0.000 3.061 344 C HA 0.565 5.024 4.460 -0.003 0.000 0.249 344 C C -0.250 174.781 174.990 0.069 0.000 2.060 344 C CA -0.429 58.610 59.018 0.034 0.000 1.649 344 C CB -1.547 26.202 27.740 0.015 0.000 3.268 344 C HN 0.763 nan 8.230 nan 0.000 0.457 345 E N 0.546 120.804 120.200 0.097 0.000 2.212 345 E HA 0.310 4.658 4.350 -0.003 0.000 0.268 345 E C 0.942 177.611 176.600 0.115 0.000 0.902 345 E CA -0.102 56.366 56.400 0.113 0.000 0.779 345 E CB 1.597 31.383 29.700 0.143 0.000 1.172 345 E HN 0.362 nan 8.360 nan 0.000 0.409 346 T N -1.747 112.874 114.554 0.112 0.000 2.881 346 T HA -0.160 4.188 4.350 -0.003 0.000 0.270 346 T C 1.495 176.360 174.700 0.275 0.000 1.068 346 T CA 1.507 63.694 62.100 0.145 0.000 1.131 346 T CB -0.112 68.822 68.868 0.110 0.000 0.871 346 T HN 0.336 nan 8.240 nan 0.000 0.479 347 S N 0.755 116.588 115.700 0.222 0.000 2.603 347 S HA 0.067 4.535 4.470 -0.003 0.000 0.220 347 S C 0.678 175.294 174.600 0.028 0.000 0.967 347 S CA 0.033 58.349 58.200 0.194 0.000 0.920 347 S CB -0.488 62.739 63.200 0.045 0.000 0.773 347 S HN 0.452 nan 8.310 nan 0.000 0.529 348 D N 1.749 122.241 120.400 0.154 0.000 2.545 348 D HA 0.331 4.970 4.640 -0.003 0.000 0.227 348 D C -0.517 175.903 176.300 0.200 0.000 1.150 348 D CA -0.407 53.651 54.000 0.096 0.000 1.046 348 D CB -0.931 39.936 40.800 0.111 0.000 1.098 348 D HN 0.475 nan 8.370 nan 0.000 0.502 349 F N -0.655 119.326 119.950 0.051 0.000 2.654 349 F HA 0.400 4.925 4.527 -0.003 0.000 0.308 349 F C -0.513 175.309 175.800 0.038 0.000 1.108 349 F CA -1.095 56.938 58.000 0.054 0.000 0.957 349 F CB 0.923 39.971 39.000 0.080 0.000 1.309 349 F HN -0.141 nan 8.300 nan 0.000 0.446 350 L N 1.400 122.736 121.223 0.188 0.000 2.609 350 L HA 0.600 4.938 4.340 -0.003 0.000 0.230 350 L C 0.592 177.548 176.870 0.144 0.000 1.087 350 L CA 0.382 55.261 54.840 0.065 0.000 0.874 350 L CB 0.786 42.847 42.059 0.003 0.000 1.114 350 L HN 0.991 nan 8.230 nan 0.000 0.488 351 G N -0.038 108.934 108.800 0.287 0.000 2.667 351 G HA2 0.406 4.364 3.960 -0.003 0.000 0.294 351 G HA3 0.406 4.364 3.960 -0.003 0.000 0.294 351 G C -1.670 173.346 174.900 0.194 0.000 1.467 351 G CA -0.521 44.700 45.100 0.201 0.000 0.852 351 G HN -0.303 nan 8.290 nan 0.000 0.521 352 K N 1.157 121.650 120.400 0.156 0.000 2.318 352 K HA 0.472 4.790 4.320 -0.003 0.000 0.249 352 K C -0.770 175.893 176.600 0.105 0.000 0.942 352 K CA -0.700 55.633 56.287 0.076 0.000 0.808 352 K CB 1.904 34.413 32.500 0.013 0.000 1.189 352 K HN 0.635 nan 8.250 nan 0.000 0.428 353 D N 1.834 122.268 120.400 0.057 0.000 2.737 353 D HA -0.173 4.466 4.640 -0.003 0.000 0.238 353 D C -0.486 175.880 176.300 0.110 0.000 1.157 353 D CA 0.943 54.977 54.000 0.055 0.000 0.694 353 D CB -0.345 40.484 40.800 0.048 0.000 1.021 353 D HN 0.267 nan 8.370 nan 0.000 0.420 354 R N 1.127 121.707 120.500 0.133 0.000 2.393 354 R HA 0.379 4.717 4.340 -0.003 0.000 0.310 354 R C -0.157 176.249 176.300 0.177 0.000 0.968 354 R CA -0.702 55.499 56.100 0.167 0.000 0.867 354 R CB 0.994 31.390 30.300 0.160 0.000 1.124 354 R HN -0.074 nan 8.270 nan 0.000 0.450 355 D N 3.565 124.055 120.400 0.151 0.000 2.313 355 D HA 0.449 5.087 4.640 -0.003 0.000 0.239 355 D C -0.006 176.393 176.300 0.166 0.000 1.142 355 D CA -0.037 54.045 54.000 0.137 0.000 0.847 355 D CB 0.948 41.800 40.800 0.086 0.000 1.082 355 D HN 0.223 nan 8.370 nan 0.000 0.480 356 L N 0.885 122.249 121.223 0.235 0.000 2.469 356 L HA 0.469 4.807 4.340 -0.003 0.000 0.256 356 L C -0.815 176.187 176.870 0.220 0.000 1.006 356 L CA -1.228 53.726 54.840 0.190 0.000 0.832 356 L CB 2.381 44.526 42.059 0.143 0.000 1.421 356 L HN -0.042 nan 8.230 nan 0.000 0.410 357 V N 3.233 123.225 119.914 0.130 0.000 2.294 357 V HA 0.443 4.562 4.120 -0.003 0.000 0.272 357 V C -0.147 175.992 176.094 0.075 0.000 1.027 357 V CA -0.218 62.154 62.300 0.120 0.000 0.823 357 V CB 0.864 32.733 31.823 0.076 0.000 1.030 357 V HN 0.407 nan 8.190 nan 0.000 0.457 358 L N 4.429 125.697 121.223 0.074 0.000 2.333 358 L HA 0.679 5.017 4.340 -0.003 0.000 0.269 358 L C -0.285 176.598 176.870 0.021 0.000 1.010 358 L CA -0.563 54.266 54.840 -0.018 0.000 0.818 358 L CB 2.281 44.214 42.059 -0.210 0.000 1.306 358 L HN 0.520 nan 8.230 nan 0.000 0.430 359 Q N 0.908 120.708 119.800 0.001 0.000 2.397 359 Q HA 0.340 4.678 4.340 -0.003 0.000 0.275 359 Q C -1.253 174.745 176.000 -0.004 0.000 1.090 359 Q CA -0.891 54.925 55.803 0.022 0.000 0.809 359 Q CB 2.954 31.709 28.738 0.029 0.000 1.362 359 Q HN 0.481 nan 8.270 nan 0.000 0.431 360 E N 0.105 120.315 120.200 0.017 0.000 2.465 360 E HA 0.103 4.451 4.350 -0.003 0.000 0.260 360 E C 0.671 177.259 176.600 -0.021 0.000 0.980 360 E CA 1.125 57.525 56.400 0.000 0.000 0.927 360 E CB 0.239 29.970 29.700 0.052 0.000 0.934 360 E HN 0.920 nan 8.360 nan 0.000 0.459 361 G N 3.149 111.916 108.800 -0.055 0.000 2.232 361 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.226 361 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.226 361 G C -0.055 174.814 174.900 -0.051 0.000 0.996 361 G CA -0.111 44.956 45.100 -0.056 0.000 0.626 361 G HN 0.572 nan 8.290 nan 0.000 0.509 362 D N 0.733 121.105 120.400 -0.047 0.000 2.400 362 D HA 0.451 5.090 4.640 -0.003 0.000 0.238 362 D C 1.008 177.277 176.300 -0.052 0.000 1.157 362 D CA 0.294 54.270 54.000 -0.040 0.000 0.889 362 D CB 0.697 41.475 40.800 -0.036 0.000 1.199 362 D HN 0.363 nan 8.370 nan 0.000 0.436 363 L N 1.766 122.965 121.223 -0.040 0.000 2.322 363 L HA 0.481 4.819 4.340 -0.003 0.000 0.279 363 L C -0.108 176.738 176.870 -0.040 0.000 1.036 363 L CA -0.703 54.107 54.840 -0.049 0.000 0.807 363 L CB 0.826 42.857 42.059 -0.047 0.000 1.226 363 L HN 0.089 nan 8.230 nan 0.000 0.433 364 L N 2.083 123.270 121.223 -0.059 0.000 2.354 364 L HA 0.810 5.148 4.340 -0.003 0.000 0.264 364 L C -0.359 176.459 176.870 -0.087 0.000 1.008 364 L CA -0.721 54.086 54.840 -0.055 0.000 0.819 364 L CB 2.120 44.142 42.059 -0.063 0.000 1.339 364 L HN 0.649 nan 8.230 nan 0.000 0.420 365 A N 1.646 124.411 122.820 -0.090 0.000 2.318 365 A HA 0.733 5.051 4.320 -0.003 0.000 0.324 365 A C -0.747 176.744 177.584 -0.155 0.000 1.170 365 A CA -0.503 51.445 52.037 -0.148 0.000 0.810 365 A CB 1.445 20.339 19.000 -0.176 0.000 1.198 365 A HN 0.376 nan 8.150 nan 0.000 0.484 366 V N 4.530 124.334 119.914 -0.184 0.000 2.334 366 V HA 0.239 4.357 4.120 -0.003 0.000 0.267 366 V C 0.723 176.710 176.094 -0.179 0.000 1.040 366 V CA -0.420 61.776 62.300 -0.173 0.000 0.866 366 V CB 0.330 32.060 31.823 -0.156 0.000 1.019 366 V HN 0.961 nan 8.190 nan 0.000 0.468 367 R N 2.593 122.993 120.500 -0.167 0.000 2.726 367 R HA 0.290 4.628 4.340 -0.003 0.000 0.272 367 R C 0.851 177.115 176.300 -0.060 0.000 1.097 367 R CA 0.127 56.150 56.100 -0.129 0.000 1.198 367 R CB 0.227 30.488 30.300 -0.065 0.000 1.114 367 R HN 0.789 nan 8.270 nan 0.000 0.550 368 S N -0.199 115.506 115.700 0.008 0.000 3.706 368 S HA -0.125 4.343 4.470 -0.003 0.000 0.363 368 S C 0.026 174.678 174.600 0.086 0.000 0.999 368 S CA 0.886 59.125 58.200 0.065 0.000 1.143 368 S CB -1.013 62.226 63.200 0.065 0.000 0.902 368 S HN 0.697 nan 8.310 nan 0.000 0.476 369 S N -0.694 115.074 115.700 0.114 0.000 2.663 369 S HA 0.334 4.803 4.470 -0.003 0.000 0.243 369 S C 1.721 176.514 174.600 0.321 0.000 1.009 369 S CA 0.013 58.343 58.200 0.218 0.000 0.988 369 S CB 0.865 64.190 63.200 0.208 0.000 0.896 369 S HN 0.795 nan 8.310 nan 0.000 0.502 370 G N 1.047 109.988 108.800 0.234 0.000 2.777 370 G HA2 0.472 4.430 3.960 -0.003 0.000 0.211 370 G HA3 0.472 4.430 3.960 -0.003 0.000 0.211 370 G C 0.295 175.206 174.900 0.019 0.000 1.149 370 G CA 0.370 45.579 45.100 0.182 0.000 0.785 370 G HN 0.553 nan 8.290 nan 0.000 0.536 371 A N -0.878 121.969 122.820 0.044 0.000 2.371 371 A HA 0.626 4.944 4.320 -0.003 0.000 0.311 371 A C -0.219 177.380 177.584 0.025 0.000 1.068 371 A CA -0.844 51.147 52.037 -0.075 0.000 0.744 371 A CB 0.605 19.610 19.000 0.007 0.000 1.239 371 A HN 0.638 nan 8.150 nan 0.000 0.435 372 Y N 0.170 120.485 120.300 0.025 0.000 3.491 372 Y HA -0.312 4.236 4.550 -0.003 0.000 0.215 372 Y C 1.368 177.290 175.900 0.036 0.000 1.219 372 Y CA 1.224 59.334 58.100 0.017 0.000 1.485 372 Y CB -1.519 36.949 38.460 0.014 0.000 1.450 372 Y HN 1.012 nan 8.280 nan 0.000 0.603 373 G N -0.827 108.020 108.800 0.078 0.000 2.529 373 G HA2 0.069 4.028 3.960 -0.003 0.000 0.220 373 G HA3 0.069 4.028 3.960 -0.003 0.000 0.220 373 G C 0.839 175.726 174.900 -0.022 0.000 1.976 373 G CA 0.280 45.455 45.100 0.125 0.000 0.789 373 G HN 0.301 nan 8.290 nan 0.000 0.695 374 F N 1.703 121.354 119.950 -0.499 0.000 2.216 374 F HA -0.044 4.481 4.527 -0.003 0.000 0.300 374 F C 2.882 178.586 175.800 -0.161 0.000 1.085 374 F CA 2.068 59.816 58.000 -0.420 0.000 1.326 374 F CB -0.129 38.509 39.000 -0.604 0.000 1.027 374 F HN 0.230 nan 8.300 nan 0.000 0.497 375 T N -0.157 114.373 114.554 -0.041 0.000 2.822 375 T HA -0.227 4.121 4.350 -0.003 0.000 0.270 375 T C 1.613 176.255 174.700 -0.097 0.000 1.064 375 T CA 1.778 63.846 62.100 -0.053 0.000 1.131 375 T CB -0.250 68.573 68.868 -0.075 0.000 0.858 375 T HN 0.348 nan 8.240 nan 0.000 0.483 376 M N 0.742 120.289 119.600 -0.090 0.000 2.371 376 M HA 0.270 4.748 4.480 -0.003 0.000 0.246 376 M C 0.838 177.064 176.300 -0.123 0.000 1.103 376 M CA -0.268 54.995 55.300 -0.060 0.000 1.010 376 M CB 0.551 33.163 32.600 0.021 0.000 1.457 376 M HN 0.062 nan 8.290 nan 0.000 0.486 377 S N 1.310 116.849 115.700 -0.267 0.000 2.560 377 S HA 0.246 4.714 4.470 -0.003 0.000 0.284 377 S C 0.339 174.808 174.600 -0.218 0.000 1.327 377 S CA -0.255 57.774 58.200 -0.284 0.000 1.055 377 S CB 0.545 63.387 63.200 -0.596 0.000 0.868 377 S HN 0.472 nan 8.310 nan 0.000 0.506 378 S N 2.921 118.561 115.700 -0.100 0.000 2.851 378 S HA 0.484 4.952 4.470 -0.003 0.000 0.317 378 S C -0.248 174.361 174.600 0.015 0.000 1.144 378 S CA -0.940 57.239 58.200 -0.035 0.000 0.862 378 S CB 0.819 64.025 63.200 0.012 0.000 1.259 378 S HN 0.740 nan 8.310 nan 0.000 0.564 379 N N -0.621 118.114 118.700 0.058 0.000 2.273 379 N HA 0.216 4.955 4.740 -0.003 0.000 0.231 379 N C -1.097 174.484 175.510 0.119 0.000 1.134 379 N CA -0.270 52.826 53.050 0.077 0.000 0.856 379 N CB 0.056 38.588 38.487 0.075 0.000 1.068 379 N HN 0.529 nan 8.380 nan 0.000 0.510 380 Y N 2.181 122.486 120.300 0.009 0.000 2.810 380 Y HA -0.155 4.393 4.550 -0.003 0.000 0.332 380 Y C 0.637 176.548 175.900 0.019 0.000 1.243 380 Y CA 0.462 58.569 58.100 0.012 0.000 1.537 380 Y CB -0.272 38.189 38.460 0.002 0.000 1.265 380 Y HN 0.346 nan 8.280 nan 0.000 0.572 381 N N 2.180 120.533 118.700 -0.578 0.000 2.829 381 N HA -0.233 4.505 4.740 -0.003 0.000 0.250 381 N C -0.262 175.159 175.510 -0.149 0.000 1.090 381 N CA 0.518 53.302 53.050 -0.443 0.000 0.781 381 N CB -1.338 36.877 38.487 -0.453 0.000 1.124 381 N HN 0.809 nan 8.380 nan 0.000 0.559 382 T N -0.630 113.896 114.554 -0.047 0.000 3.803 382 T HA -0.272 4.077 4.350 -0.003 0.000 0.376 382 T C -0.055 174.683 174.700 0.063 0.000 0.761 382 T CA 1.109 63.243 62.100 0.056 0.000 1.962 382 T CB -0.990 67.926 68.868 0.080 0.000 1.780 382 T HN 0.385 nan 8.240 nan 0.000 0.771 383 R N 1.862 122.384 120.500 0.038 0.000 2.255 383 R HA 0.407 4.746 4.340 -0.003 0.000 0.326 383 R C -2.450 173.884 176.300 0.057 0.000 0.986 383 R CA -2.191 53.933 56.100 0.040 0.000 0.847 383 R CB 1.068 31.379 30.300 0.019 0.000 1.111 383 R HN 0.145 nan 8.270 nan 0.000 0.452 384 P HA 0.036 nan 4.420 nan 0.000 0.271 384 P C -0.627 176.720 177.300 0.078 0.000 1.216 384 P CA -0.103 63.033 63.100 0.059 0.000 0.776 384 P CB 0.692 32.420 31.700 0.045 0.000 0.881 385 R N 0.961 121.521 120.500 0.099 0.000 2.643 385 R HA 0.236 4.574 4.340 -0.003 0.000 0.270 385 R C 0.627 177.070 176.300 0.238 0.000 1.061 385 R CA -0.626 55.575 56.100 0.168 0.000 1.107 385 R CB 0.197 30.596 30.300 0.165 0.000 0.999 385 R HN 0.379 nan 8.270 nan 0.000 0.460 386 V N -0.030 120.082 119.914 0.330 0.000 3.385 386 V HA 0.566 4.684 4.120 -0.003 0.000 0.301 386 V C 0.493 176.692 176.094 0.175 0.000 1.082 386 V CA -0.831 61.608 62.300 0.233 0.000 1.085 386 V CB 0.928 32.875 31.823 0.207 0.000 1.152 386 V HN 0.842 nan 8.190 nan 0.000 0.465 387 A N 0.851 123.705 122.820 0.055 0.000 2.304 387 A HA 0.589 4.908 4.320 -0.003 0.000 0.271 387 A C 0.086 177.580 177.584 -0.150 0.000 1.091 387 A CA -0.523 51.477 52.037 -0.062 0.000 0.812 387 A CB 0.039 18.998 19.000 -0.069 0.000 1.056 387 A HN 0.958 nan 8.150 nan 0.000 0.489 388 E N -0.007 120.030 120.200 -0.271 0.000 2.199 388 E HA 0.492 4.840 4.350 -0.003 0.000 0.265 388 E C -1.068 175.343 176.600 -0.314 0.000 0.882 388 E CA -0.714 55.485 56.400 -0.335 0.000 0.759 388 E CB 2.054 31.536 29.700 -0.364 0.000 1.148 388 E HN 0.606 nan 8.360 nan 0.000 0.412 389 V N 0.319 120.023 119.914 -0.350 0.000 2.823 389 V HA 0.663 4.781 4.120 -0.003 0.000 0.312 389 V C -0.531 175.479 176.094 -0.141 0.000 1.072 389 V CA -0.983 61.144 62.300 -0.288 0.000 0.937 389 V CB 1.859 33.430 31.823 -0.421 0.000 1.013 389 V HN 0.745 nan 8.190 nan 0.000 0.430 390 M N 4.734 124.326 119.600 -0.014 0.000 2.456 390 M HA 0.784 5.262 4.480 -0.003 0.000 0.324 390 M C -0.869 175.416 176.300 -0.024 0.000 1.124 390 M CA -0.819 54.531 55.300 0.083 0.000 0.959 390 M CB 2.001 34.724 32.600 0.204 0.000 1.692 390 M HN 0.995 nan 8.290 nan 0.000 0.444 391 V N 0.935 120.832 119.914 -0.029 0.000 2.630 391 V HA 0.743 4.861 4.120 -0.003 0.000 0.305 391 V C -1.264 174.757 176.094 -0.123 0.000 1.046 391 V CA -0.438 61.787 62.300 -0.126 0.000 0.934 391 V CB 1.749 33.535 31.823 -0.062 0.000 1.003 391 V HN 0.894 nan 8.190 nan 0.000 0.451 392 D N 2.285 122.567 120.400 -0.197 0.000 2.328 392 D HA 0.562 5.201 4.640 -0.003 0.000 0.243 392 D C 0.547 176.769 176.300 -0.129 0.000 1.324 392 D CA 0.982 54.911 54.000 -0.118 0.000 0.966 392 D CB 1.038 41.845 40.800 0.012 0.000 1.324 392 D HN 1.389 nan 8.370 nan 0.000 0.549 393 G N 4.634 113.360 108.800 -0.123 0.000 2.557 393 G HA2 -0.367 3.591 3.960 -0.003 0.000 0.292 393 G HA3 -0.367 3.591 3.960 -0.003 0.000 0.292 393 G C 0.662 175.528 174.900 -0.056 0.000 1.162 393 G CA 0.601 45.638 45.100 -0.105 0.000 0.964 393 G HN 0.731 nan 8.290 nan 0.000 0.541 394 N N 1.120 119.791 118.700 -0.049 0.000 2.214 394 N HA 0.276 5.014 4.740 -0.003 0.000 0.214 394 N C 0.300 175.772 175.510 -0.063 0.000 1.132 394 N CA 0.470 53.515 53.050 -0.008 0.000 0.856 394 N CB 0.407 38.910 38.487 0.026 0.000 1.020 394 N HN 0.752 nan 8.380 nan 0.000 0.509 395 K N -0.337 119.972 120.400 -0.151 0.000 2.123 395 K HA 0.505 4.823 4.320 -0.003 0.000 0.259 395 K C -0.727 175.600 176.600 -0.455 0.000 0.960 395 K CA -0.549 55.571 56.287 -0.279 0.000 0.872 395 K CB 1.518 33.820 32.500 -0.330 0.000 1.079 395 K HN -0.059 nan 8.250 nan 0.000 0.440 396 T N 1.872 116.159 114.554 -0.446 0.000 2.861 396 T HA 0.454 4.802 4.350 -0.003 0.000 0.287 396 T C -1.433 173.053 174.700 -0.357 0.000 1.003 396 T CA -0.707 61.174 62.100 -0.364 0.000 0.977 396 T CB 0.407 69.221 68.868 -0.089 0.000 0.996 396 T HN 0.277 nan 8.240 nan 0.000 0.448 397 Y N 1.594 121.880 120.300 -0.024 0.000 2.391 397 Y HA 0.573 5.122 4.550 -0.002 0.000 0.341 397 Y C -0.350 175.487 175.900 -0.105 0.000 0.965 397 Y CA -1.645 56.432 58.100 -0.039 0.000 1.067 397 Y CB 1.126 39.564 38.460 -0.037 0.000 1.199 397 Y HN 0.436 nan 8.280 nan 0.000 0.450 398 L N 5.054 126.303 121.223 0.043 0.000 2.325 398 L HA 0.305 4.643 4.340 -0.003 0.000 0.284 398 L C 0.589 177.427 176.870 -0.053 0.000 1.089 398 L CA 0.030 54.800 54.840 -0.117 0.000 0.836 398 L CB 0.405 42.425 42.059 -0.065 0.000 1.184 398 L HN 0.675 nan 8.230 nan 0.000 0.444 399 V N 2.223 122.088 119.914 -0.081 0.000 3.644 399 V HA 0.426 4.545 4.120 -0.003 0.000 0.267 399 V C 0.720 176.754 176.094 -0.099 0.000 1.277 399 V CA -0.034 62.232 62.300 -0.056 0.000 1.096 399 V CB -0.520 31.301 31.823 -0.003 0.000 0.828 399 V HN 0.794 nan 8.190 nan 0.000 0.446 400 R N 0.759 121.172 120.500 -0.145 0.000 2.508 400 R HA 0.393 4.731 4.340 -0.003 0.000 0.283 400 R C -0.896 175.331 176.300 -0.122 0.000 1.120 400 R CA -0.389 55.619 56.100 -0.153 0.000 0.958 400 R CB 1.592 31.730 30.300 -0.271 0.000 1.215 400 R HN 0.485 nan 8.270 nan 0.000 0.427 401 Q N 2.711 122.476 119.800 -0.058 0.000 2.392 401 Q HA 0.112 4.451 4.340 -0.003 0.000 0.262 401 Q C -0.180 175.823 176.000 0.005 0.000 1.003 401 Q CA 0.019 55.813 55.803 -0.016 0.000 0.888 401 Q CB 1.079 29.820 28.738 0.005 0.000 1.260 401 Q HN 0.348 nan 8.270 nan 0.000 0.435 402 R N 1.855 122.373 120.500 0.030 0.000 2.570 402 R HA -0.034 4.304 4.340 -0.003 0.000 0.277 402 R C -0.513 175.814 176.300 0.046 0.000 1.039 402 R CA 0.128 56.260 56.100 0.053 0.000 1.065 402 R CB 0.509 30.845 30.300 0.060 0.000 0.964 402 R HN 0.544 nan 8.270 nan 0.000 0.428 403 E N 2.688 122.923 120.200 0.059 0.000 2.373 403 E HA -0.016 4.332 4.350 -0.003 0.000 0.267 403 E C -0.492 176.108 176.600 0.001 0.000 1.032 403 E CA -0.088 56.329 56.400 0.029 0.000 0.889 403 E CB 0.706 30.429 29.700 0.038 0.000 0.984 403 E HN 0.447 nan 8.360 nan 0.000 0.425 404 E N 2.289 122.469 120.200 -0.033 0.000 2.316 404 E HA -0.033 4.316 4.350 -0.003 0.000 0.275 404 E C 0.733 177.268 176.600 -0.110 0.000 1.029 404 E CA -0.124 56.240 56.400 -0.061 0.000 0.871 404 E CB 1.261 30.913 29.700 -0.081 0.000 1.022 404 E HN 0.394 nan 8.360 nan 0.000 0.418 405 L N 4.097 125.266 121.223 -0.091 0.000 1.990 405 L HA -0.275 4.064 4.340 -0.003 0.000 0.213 405 L C 2.178 178.789 176.870 -0.432 0.000 1.072 405 L CA 2.577 57.354 54.840 -0.105 0.000 0.755 405 L CB -0.792 41.283 42.059 0.027 0.000 0.889 405 L HN 0.612 nan 8.230 nan 0.000 0.432 406 S N -1.713 113.645 115.700 -0.571 0.000 2.474 406 S HA -0.131 4.337 4.470 -0.003 0.000 0.235 406 S C 2.007 175.946 174.600 -1.101 0.000 0.997 406 S CA 0.841 58.312 58.200 -1.215 0.000 0.949 406 S CB -1.043 61.811 63.200 -0.578 0.000 0.766 406 S HN 0.672 nan 8.310 nan 0.000 0.517 407 S N 1.680 117.040 115.700 -0.567 0.000 2.447 407 S HA 0.036 4.505 4.470 -0.003 0.000 0.233 407 S C 1.595 176.000 174.600 -0.324 0.000 1.006 407 S CA 0.553 58.535 58.200 -0.364 0.000 0.957 407 S CB -0.710 62.376 63.200 -0.191 0.000 0.773 407 S HN 0.365 nan 8.310 nan 0.000 0.507 408 L N 0.464 121.477 121.223 -0.349 0.000 2.191 408 L HA 0.063 4.401 4.340 -0.003 0.000 0.212 408 L C 2.000 178.928 176.870 0.097 0.000 1.103 408 L CA 1.127 55.934 54.840 -0.056 0.000 0.769 408 L CB -0.958 41.169 42.059 0.113 0.000 0.908 408 L HN 0.879 nan 8.230 nan 0.000 0.438 409 W N -3.874 117.432 121.300 0.009 0.000 2.818 409 W HA 0.669 5.327 4.660 -0.003 0.000 0.403 409 W C 1.593 178.116 176.519 0.008 0.000 0.991 409 W CA -0.011 57.339 57.345 0.008 0.000 1.925 409 W CB -1.001 28.463 29.460 0.006 0.000 1.166 409 W HN -0.056 nan 8.180 nan 0.000 0.605 410 A N 1.396 124.142 122.820 -0.123 0.000 2.019 410 A HA -0.075 4.244 4.320 -0.003 0.000 0.219 410 A C 1.762 179.351 177.584 0.009 0.000 1.164 410 A CA 1.290 53.270 52.037 -0.095 0.000 0.644 410 A CB -0.489 18.427 19.000 -0.141 0.000 0.805 410 A HN 0.507 nan 8.150 nan 0.000 0.449 411 L N -0.520 120.724 121.223 0.034 0.000 2.592 411 L HA 0.122 4.460 4.340 -0.003 0.000 0.227 411 L C 0.366 177.276 176.870 0.066 0.000 1.127 411 L CA -0.106 54.759 54.840 0.042 0.000 0.884 411 L CB -0.218 41.860 42.059 0.032 0.000 1.065 411 L HN 0.413 nan 8.230 nan 0.000 0.457 412 E N 0.085 120.349 120.200 0.106 0.000 2.239 412 E HA 0.520 4.868 4.350 -0.003 0.000 0.261 412 E C -0.311 176.346 176.600 0.094 0.000 1.016 412 E CA -0.437 56.027 56.400 0.106 0.000 0.882 412 E CB 1.750 31.535 29.700 0.141 0.000 1.190 412 E HN 0.062 nan 8.360 nan 0.000 0.415 413 S N -0.967 114.774 115.700 0.068 0.000 2.550 413 S HA 0.511 4.979 4.470 -0.003 0.000 0.270 413 S C -0.340 174.280 174.600 0.033 0.000 1.145 413 S CA -1.063 57.169 58.200 0.053 0.000 0.852 413 S CB 0.888 64.112 63.200 0.041 0.000 1.119 413 S HN 0.420 nan 8.310 nan 0.000 0.465 414 V N 0.038 119.967 119.914 0.025 0.000 3.403 414 V HA 0.631 4.749 4.120 -0.003 0.000 0.305 414 V C 0.320 176.420 176.094 0.010 0.000 1.060 414 V CA -1.244 61.062 62.300 0.010 0.000 1.053 414 V CB -0.166 31.659 31.823 0.003 0.000 1.198 414 V HN 0.912 nan 8.190 nan 0.000 0.447 415 L N 1.739 122.965 121.223 0.004 0.000 2.464 415 L HA 0.355 4.693 4.340 -0.003 0.000 0.264 415 L C -1.852 175.022 176.870 0.006 0.000 1.199 415 L CA -1.494 53.349 54.840 0.005 0.000 0.818 415 L CB 0.091 42.150 42.059 0.001 0.000 1.102 415 L HN 0.568 nan 8.230 nan 0.000 0.473 416 P HA 0.120 nan 4.420 nan 0.000 0.268 416 P C -0.747 176.556 177.300 0.004 0.000 1.205 416 P CA -0.240 62.864 63.100 0.006 0.000 0.771 416 P CB 0.919 32.623 31.700 0.006 0.000 0.858 417 E N 0.000 120.203 120.200 0.004 0.000 2.725 417 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 417 E CA 0.000 56.402 56.400 0.003 0.000 0.976 417 E CB 0.000 29.702 29.700 0.004 0.000 0.812 417 E HN 0.000 nan 8.360 nan 0.000 0.440