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 3ola_1_I DATA FIRST_RESID 1 DATA SEQUENCE GEIQWMRPSK EVGYPIINAP SKTKLEPSAF HYVFEGVKEP AVLTKNDPRL DATA SEQUENCE KTDFEEAIFS KYVGNKITEV DEYMKEAVDH YAGQLMSLDI NTEQMCLEDA DATA SEQUENCE MYGTDGLEAL DLSTSAGYPY VAMGKKKRDI LNKQTRDTKE MQKLLDTYGI DATA SEQUENCE NLPLVTYVKD ELRSKTKVEQ GKSRLIEASS LNDSVAMRMA FGNLYAAFHK DATA SEQUENCE NPGVITGSAV GCDPDLFWSK IPVLMEEKLF AFDYTGYDAS LSPAWFEALK DATA SEQUENCE MVLEKIGFGD RVDYIDYLNH SHHLYKNKTY CVKGGMPSGC SGTSIFNSMI DATA SEQUENCE NNLIIRTLLL KTYKGIDLDH LKMIAYGDDV IASYPHEVDA SLLAQSGKDY DATA SEQUENCE GLTMTPADKS ATFETVTWEN VTFLKRFFRA DEKYPFLIHP VMPMKEIHES DATA SEQUENCE IRWTKDPRNT QDHVRSLCLL AWHNGEEEYN KFLAKIRSVP IGRALDLPEY DATA SEQUENCE STLYRRWLDS F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1 G C 0.000 175.025 174.900 0.208 0.000 0.946 1 G CA 0.000 45.225 45.100 0.209 0.000 0.502 2 E N 2.649 122.918 120.200 0.115 0.000 2.338 2 E HA 0.386 4.737 4.350 0.002 0.000 0.272 2 E C 0.227 176.805 176.600 -0.036 0.000 1.029 2 E CA -0.678 55.765 56.400 0.072 0.000 0.872 2 E CB 0.779 30.515 29.700 0.060 0.000 1.015 2 E HN 0.394 nan 8.360 nan 0.000 0.417 3 I N 5.265 125.783 120.570 -0.087 0.000 2.505 3 I HA -0.084 4.087 4.170 0.002 0.000 0.287 3 I C 1.209 177.266 176.117 -0.101 0.000 1.104 3 I CA -0.348 60.846 61.300 -0.177 0.000 1.387 3 I CB 0.936 38.813 38.000 -0.205 0.000 1.404 3 I HN 0.653 nan 8.210 nan 0.000 0.528 4 Q N 7.148 126.867 119.800 -0.134 0.000 2.033 4 Q HA -0.021 4.320 4.340 0.002 0.000 0.196 4 Q C 0.532 176.605 176.000 0.122 0.000 0.970 4 Q CA 1.468 57.272 55.803 0.001 0.000 0.828 4 Q CB 0.135 28.907 28.738 0.058 0.000 0.895 4 Q HN 0.774 nan 8.270 nan 0.000 0.440 5 W N -2.095 119.178 121.300 -0.044 0.000 4.003 5 W HA 0.718 5.380 4.660 0.002 0.000 0.413 5 W C -0.516 175.977 176.519 -0.044 0.000 1.209 5 W CA -0.730 56.588 57.345 -0.045 0.000 0.900 5 W CB 0.714 30.150 29.460 -0.040 0.000 2.040 5 W HN -0.183 nan 8.180 nan 0.000 0.640 6 M N 2.217 122.073 119.600 0.425 0.000 2.691 6 M HA 0.131 4.612 4.480 0.002 0.000 0.126 6 M C -1.477 174.973 176.300 0.251 0.000 0.875 6 M CA 0.054 55.477 55.300 0.205 0.000 0.658 6 M CB 0.816 33.414 32.600 -0.002 0.000 2.900 6 M HN 0.578 nan 8.290 nan 0.000 0.314 7 R N 2.004 122.704 120.500 0.334 0.000 2.686 7 R HA 0.682 5.023 4.340 0.002 0.000 0.283 7 R C -2.799 173.594 176.300 0.156 0.000 0.978 7 R CA -1.799 54.418 56.100 0.194 0.000 0.897 7 R CB 1.852 32.233 30.300 0.134 0.000 1.192 7 R HN 0.152 nan 8.270 nan 0.000 0.457 8 P HA -0.051 nan 4.420 nan 0.000 0.264 8 P C 0.288 177.643 177.300 0.092 0.000 1.179 8 P CA 0.575 63.715 63.100 0.067 0.000 0.763 8 P CB 0.626 32.346 31.700 0.033 0.000 0.806 9 S N 2.446 118.210 115.700 0.107 0.000 2.368 9 S HA -0.169 4.302 4.470 0.002 0.000 0.225 9 S C 1.398 176.053 174.600 0.091 0.000 1.030 9 S CA 1.530 59.820 58.200 0.150 0.000 0.999 9 S CB -0.423 62.879 63.200 0.170 0.000 0.844 9 S HN 0.502 nan 8.310 nan 0.000 0.459 10 K N 1.741 122.178 120.400 0.062 0.000 2.280 10 K HA -0.021 4.301 4.320 0.002 0.000 0.202 10 K C 1.828 178.428 176.600 -0.000 0.000 1.047 10 K CA 0.881 57.189 56.287 0.034 0.000 0.942 10 K CB -0.209 32.310 32.500 0.032 0.000 0.739 10 K HN 0.434 nan 8.250 nan 0.000 0.457 11 E N 0.141 120.340 120.200 -0.002 0.000 2.051 11 E HA -0.130 4.221 4.350 0.002 0.000 0.192 11 E C 1.212 177.770 176.600 -0.070 0.000 0.991 11 E CA 1.400 57.781 56.400 -0.031 0.000 0.799 11 E CB 0.076 29.759 29.700 -0.027 0.000 0.748 11 E HN 0.013 nan 8.360 nan 0.000 0.449 12 V N -0.462 119.402 119.914 -0.085 0.000 3.646 12 V HA 0.146 4.267 4.120 0.002 0.000 0.277 12 V C 1.286 177.165 176.094 -0.358 0.000 1.274 12 V CA 0.824 63.006 62.300 -0.196 0.000 1.164 12 V CB -0.014 31.723 31.823 -0.143 0.000 0.926 12 V HN 0.565 nan 8.190 nan 0.000 0.442 13 G N -1.080 107.596 108.800 -0.207 0.000 2.213 13 G HA2 -0.278 3.683 3.960 0.002 0.000 0.236 13 G HA3 -0.278 3.683 3.960 0.002 0.000 0.236 13 G C 0.023 174.885 174.900 -0.062 0.000 0.991 13 G CA -0.095 44.909 45.100 -0.160 0.000 0.629 13 G HN 0.393 nan 8.290 nan 0.000 0.517 14 Y N 1.746 122.055 120.300 0.014 0.000 2.281 14 Y HA 0.539 5.090 4.550 0.002 0.000 0.337 14 Y C -1.373 174.550 175.900 0.038 0.000 1.304 14 Y CA -1.804 56.290 58.100 -0.010 0.000 1.465 14 Y CB 0.239 38.645 38.460 -0.090 0.000 1.350 14 Y HN 0.100 nan 8.280 nan 0.000 0.575 15 P HA 0.410 nan 4.420 nan 0.000 0.286 15 P C -0.868 176.508 177.300 0.125 0.000 1.292 15 P CA -0.606 62.596 63.100 0.170 0.000 0.842 15 P CB 1.414 33.222 31.700 0.180 0.000 1.207 16 I N 0.854 121.482 120.570 0.096 0.000 2.395 16 I HA 0.247 4.418 4.170 0.002 0.000 0.289 16 I C -0.046 176.118 176.117 0.079 0.000 1.023 16 I CA -0.381 60.964 61.300 0.074 0.000 1.350 16 I CB 0.353 38.388 38.000 0.057 0.000 1.409 16 I HN 0.100 nan 8.210 nan 0.000 0.507 17 I N 6.740 127.354 120.570 0.073 0.000 2.382 17 I HA 0.264 4.435 4.170 0.002 0.000 0.286 17 I C -0.248 175.930 176.117 0.103 0.000 1.002 17 I CA -0.246 61.109 61.300 0.092 0.000 1.135 17 I CB 1.052 39.093 38.000 0.069 0.000 1.288 17 I HN 0.418 nan 8.210 nan 0.000 0.448 18 N N 5.287 124.062 118.700 0.124 0.000 2.457 18 N HA 0.568 5.309 4.740 0.002 0.000 0.250 18 N C -0.306 175.323 175.510 0.198 0.000 0.982 18 N CA -0.331 52.800 53.050 0.135 0.000 0.941 18 N CB 2.099 40.643 38.487 0.095 0.000 1.120 18 N HN 0.685 nan 8.380 nan 0.000 0.505 19 A N 3.524 126.501 122.820 0.262 0.000 2.351 19 A HA 0.484 4.806 4.320 0.002 0.000 0.257 19 A C -1.803 175.902 177.584 0.201 0.000 1.087 19 A CA -0.810 51.427 52.037 0.333 0.000 0.798 19 A CB -0.374 18.911 19.000 0.475 0.000 1.033 19 A HN 0.431 nan 8.150 nan 0.000 0.488 20 P HA 0.082 nan 4.420 nan 0.000 0.269 20 P C 0.469 177.828 177.300 0.099 0.000 1.211 20 P CA 0.396 63.552 63.100 0.093 0.000 0.781 20 P CB 0.532 32.264 31.700 0.054 0.000 0.877 21 S N -0.642 115.102 115.700 0.073 0.000 2.663 21 S HA 0.272 4.744 4.470 0.002 0.000 0.243 21 S C 0.213 174.837 174.600 0.040 0.000 1.009 21 S CA -0.331 57.910 58.200 0.067 0.000 0.988 21 S CB -0.219 63.018 63.200 0.060 0.000 0.896 21 S HN 0.319 nan 8.310 nan 0.000 0.502 22 K N 1.410 121.831 120.400 0.034 0.000 2.535 22 K HA 0.332 4.653 4.320 0.002 0.000 0.250 22 K C -0.727 175.880 176.600 0.012 0.000 0.948 22 K CA -0.360 55.939 56.287 0.020 0.000 0.796 22 K CB 1.974 34.486 32.500 0.021 0.000 1.216 22 K HN 0.151 nan 8.250 nan 0.000 0.432 23 T N 1.798 116.352 114.554 -0.001 0.000 2.923 23 T HA -0.058 4.293 4.350 0.002 0.000 0.320 23 T C 1.051 175.751 174.700 0.001 0.000 1.074 23 T CA 0.680 62.770 62.100 -0.015 0.000 1.131 23 T CB 0.341 69.188 68.868 -0.035 0.000 1.058 23 T HN 0.378 nan 8.240 nan 0.000 0.535 24 K N 3.081 123.478 120.400 -0.005 0.000 2.353 24 K HA 0.242 4.563 4.320 0.002 0.000 0.195 24 K C 0.438 177.060 176.600 0.037 0.000 1.031 24 K CA 0.091 56.386 56.287 0.012 0.000 1.079 24 K CB 0.155 32.655 32.500 -0.001 0.000 0.857 24 K HN 0.566 nan 8.250 nan 0.000 0.535 25 L N 2.332 123.570 121.223 0.025 0.000 2.380 25 L HA 0.079 4.420 4.340 0.002 0.000 0.273 25 L C -0.184 176.821 176.870 0.225 0.000 1.138 25 L CA 0.276 55.166 54.840 0.084 0.000 0.832 25 L CB 0.489 42.489 42.059 -0.098 0.000 1.124 25 L HN 0.048 nan 8.230 nan 0.000 0.454 26 E N 3.562 123.982 120.200 0.367 0.000 2.356 26 E HA 0.426 4.777 4.350 0.002 0.000 0.275 26 E C -2.652 174.127 176.600 0.299 0.000 0.904 26 E CA -2.234 54.359 56.400 0.321 0.000 0.757 26 E CB 1.467 31.257 29.700 0.149 0.000 1.232 26 E HN 0.255 nan 8.360 nan 0.000 0.442 27 P HA -0.046 nan 4.420 nan 0.000 0.267 27 P C -0.547 176.664 177.300 -0.148 0.000 1.200 27 P CA 0.102 62.942 63.100 -0.432 0.000 0.772 27 P CB 0.731 31.917 31.700 -0.857 0.000 0.855 28 S N 1.484 117.123 115.700 -0.103 0.000 2.693 28 S HA 0.458 4.929 4.470 0.002 0.000 0.276 28 S C 1.584 176.143 174.600 -0.070 0.000 1.192 28 S CA -0.003 58.211 58.200 0.022 0.000 0.994 28 S CB 0.366 63.663 63.200 0.162 0.000 1.012 28 S HN 0.415 nan 8.310 nan 0.000 0.550 29 A N 1.768 124.480 122.820 -0.180 0.000 2.042 29 A HA -0.073 4.249 4.320 0.002 0.000 0.222 29 A C 1.077 178.381 177.584 -0.468 0.000 1.167 29 A CA 1.773 53.543 52.037 -0.445 0.000 0.649 29 A CB -0.784 17.722 19.000 -0.823 0.000 0.809 29 A HN 0.762 nan 8.150 nan 0.000 0.457 30 F N -2.154 117.806 119.950 0.017 0.000 2.641 30 F HA 0.216 4.744 4.527 0.002 0.000 0.302 30 F C 1.555 177.347 175.800 -0.013 0.000 1.098 30 F CA 0.155 58.186 58.000 0.053 0.000 1.318 30 F CB -0.627 38.459 39.000 0.145 0.000 1.035 30 F HN 0.368 nan 8.300 nan 0.000 0.551 31 H N -0.751 118.208 119.070 -0.184 0.000 2.422 31 H HA -0.192 4.365 4.556 0.002 0.000 0.298 31 H C 1.212 176.157 175.328 -0.638 0.000 1.098 31 H CA 2.210 57.924 56.048 -0.557 0.000 1.315 31 H CB 0.003 29.213 29.762 -0.921 0.000 1.382 31 H HN 0.353 nan 8.280 nan 0.000 0.523 32 Y N -2.125 118.192 120.300 0.028 0.000 2.481 32 Y HA 0.095 4.646 4.550 0.002 0.000 0.258 32 Y C 2.246 178.100 175.900 -0.078 0.000 1.103 32 Y CA 0.195 58.278 58.100 -0.027 0.000 1.287 32 Y CB 0.458 38.912 38.460 -0.010 0.000 1.108 32 Y HN 0.023 nan 8.280 nan 0.000 0.529 33 V N -0.519 119.406 119.914 0.017 0.000 2.343 33 V HA -0.214 3.907 4.120 0.002 0.000 0.247 33 V C 0.361 176.193 176.094 -0.438 0.000 1.051 33 V CA 1.403 63.581 62.300 -0.203 0.000 1.036 33 V CB -0.536 31.169 31.823 -0.196 0.000 0.654 33 V HN 0.070 nan 8.190 nan 0.000 0.451 34 F N -0.814 119.077 119.950 -0.099 0.000 2.507 34 F HA 0.496 5.024 4.527 0.002 0.000 0.327 34 F C 0.466 176.157 175.800 -0.181 0.000 1.068 34 F CA -0.966 56.920 58.000 -0.189 0.000 0.965 34 F CB 1.065 39.936 39.000 -0.215 0.000 1.192 34 F HN -0.122 nan 8.300 nan 0.000 0.476 35 E N 0.356 120.583 120.200 0.044 0.000 2.371 35 E HA 0.603 4.955 4.350 0.002 0.000 0.257 35 E C -0.216 176.412 176.600 0.046 0.000 1.134 35 E CA -0.178 56.234 56.400 0.021 0.000 0.919 35 E CB 1.187 30.911 29.700 0.039 0.000 1.025 35 E HN 0.855 nan 8.360 nan 0.000 0.438 36 G N -0.652 108.165 108.800 0.029 0.000 2.404 36 G HA2 0.238 4.200 3.960 0.002 0.000 0.298 36 G HA3 0.238 4.200 3.960 0.002 0.000 0.298 36 G C -0.440 174.506 174.900 0.076 0.000 1.577 36 G CA -0.182 44.958 45.100 0.066 0.000 0.847 36 G HN 0.520 nan 8.290 nan 0.000 0.598 37 V N -2.515 117.457 119.914 0.097 0.000 3.380 37 V HA 0.528 4.649 4.120 0.002 0.000 0.307 37 V C 0.452 176.613 176.094 0.113 0.000 1.434 37 V CA -0.029 62.328 62.300 0.094 0.000 1.075 37 V CB -0.341 31.523 31.823 0.069 0.000 0.954 37 V HN 0.444 nan 8.190 nan 0.000 0.444 38 K N 1.753 122.247 120.400 0.156 0.000 2.156 38 K HA 0.738 5.059 4.320 0.002 0.000 0.250 38 K C -0.504 176.193 176.600 0.163 0.000 0.955 38 K CA -0.427 55.929 56.287 0.116 0.000 0.855 38 K CB 1.892 34.431 32.500 0.064 0.000 1.101 38 K HN 0.706 nan 8.250 nan 0.000 0.434 39 E N 0.890 121.065 120.200 -0.042 0.000 2.433 39 E HA 0.387 4.738 4.350 0.002 0.000 0.278 39 E C -2.932 173.429 176.600 -0.398 0.000 0.976 39 E CA -2.640 53.627 56.400 -0.222 0.000 0.793 39 E CB 1.249 30.971 29.700 0.036 0.000 1.311 39 E HN 0.118 nan 8.360 nan 0.000 0.460 40 P HA -0.015 nan 4.420 nan 0.000 0.266 40 P C -0.812 176.371 177.300 -0.195 0.000 1.186 40 P CA 0.415 63.289 63.100 -0.375 0.000 0.767 40 P CB 0.424 31.933 31.700 -0.318 0.000 0.820 41 A N 2.845 125.579 122.820 -0.144 0.000 2.304 41 A HA 0.371 4.692 4.320 0.002 0.000 0.271 41 A C -0.240 177.306 177.584 -0.063 0.000 1.091 41 A CA -0.552 51.438 52.037 -0.079 0.000 0.812 41 A CB 0.124 19.094 19.000 -0.049 0.000 1.056 41 A HN 0.388 nan 8.150 nan 0.000 0.489 42 V N 1.653 121.534 119.914 -0.054 0.000 2.529 42 V HA 0.019 4.140 4.120 0.002 0.000 0.292 42 V C 0.755 176.809 176.094 -0.066 0.000 1.028 42 V CA 0.105 62.319 62.300 -0.144 0.000 1.074 42 V CB 0.173 31.819 31.823 -0.294 0.000 0.958 42 V HN 0.756 nan 8.190 nan 0.000 0.481 43 L N 4.032 125.200 121.223 -0.092 0.000 2.609 43 L HA 0.254 4.595 4.340 0.002 0.000 0.230 43 L C 1.052 177.980 176.870 0.098 0.000 1.087 43 L CA 1.044 55.915 54.840 0.051 0.000 0.874 43 L CB 0.058 42.141 42.059 0.040 0.000 1.114 43 L HN 1.055 nan 8.230 nan 0.000 0.488 44 T N -6.622 107.837 114.554 -0.159 0.000 2.816 44 T HA 0.351 4.702 4.350 0.002 0.000 0.299 44 T C 0.772 175.272 174.700 -0.333 0.000 1.230 44 T CA -0.701 61.362 62.100 -0.060 0.000 1.007 44 T CB 1.901 70.772 68.868 0.005 0.000 1.289 44 T HN -0.329 nan 8.240 nan 0.000 0.508 45 K N 0.783 121.181 120.400 -0.003 0.000 2.020 45 K HA 0.037 4.358 4.320 0.002 0.000 0.212 45 K C 0.853 177.406 176.600 -0.080 0.000 1.050 45 K CA 1.470 57.767 56.287 0.017 0.000 0.929 45 K CB -0.378 32.192 32.500 0.116 0.000 0.714 45 K HN 0.521 nan 8.250 nan 0.000 0.443 46 N N 2.133 120.802 118.700 -0.052 0.000 3.050 46 N HA 0.009 4.750 4.740 0.002 0.000 0.289 46 N C -1.286 174.181 175.510 -0.071 0.000 1.209 46 N CA 0.209 53.234 53.050 -0.042 0.000 1.154 46 N CB 0.127 38.607 38.487 -0.012 0.000 1.444 46 N HN 0.194 nan 8.380 nan 0.000 0.529 47 D N -0.153 120.182 120.400 -0.108 0.000 2.505 47 D HA 0.324 4.965 4.640 0.002 0.000 0.250 47 D C -1.795 174.460 176.300 -0.074 0.000 1.164 47 D CA -1.950 51.984 54.000 -0.110 0.000 0.870 47 D CB 1.818 42.504 40.800 -0.190 0.000 1.160 47 D HN -0.039 nan 8.370 nan 0.000 0.549 48 P HA -0.128 nan 4.420 nan 0.000 0.222 48 P C 0.786 178.075 177.300 -0.019 0.000 1.142 48 P CA 0.875 63.962 63.100 -0.021 0.000 0.788 48 P CB 0.211 31.906 31.700 -0.008 0.000 0.767 49 R N -1.340 119.141 120.500 -0.031 0.000 2.276 49 R HA 0.102 4.443 4.340 0.002 0.000 0.203 49 R C 0.624 176.910 176.300 -0.024 0.000 1.017 49 R CA 0.003 56.090 56.100 -0.021 0.000 1.010 49 R CB -0.443 29.844 30.300 -0.022 0.000 0.900 49 R HN 0.255 nan 8.270 nan 0.000 0.469 50 L N 1.639 122.837 121.223 -0.041 0.000 2.410 50 L HA 0.053 4.394 4.340 0.002 0.000 0.273 50 L C 1.112 177.983 176.870 0.001 0.000 1.144 50 L CA 0.354 55.178 54.840 -0.028 0.000 0.863 50 L CB 0.637 42.666 42.059 -0.050 0.000 1.140 50 L HN -0.050 nan 8.230 nan 0.000 0.463 51 K N 1.730 122.140 120.400 0.016 0.000 2.593 51 K HA 0.195 4.516 4.320 0.002 0.000 0.208 51 K C -0.149 176.472 176.600 0.034 0.000 1.051 51 K CA 0.039 56.340 56.287 0.023 0.000 1.111 51 K CB 0.474 32.988 32.500 0.023 0.000 0.849 51 K HN 0.735 nan 8.250 nan 0.000 0.479 52 T N -1.415 113.165 114.554 0.043 0.000 2.653 52 T HA 0.027 4.378 4.350 0.002 0.000 0.303 52 T C -2.064 172.687 174.700 0.085 0.000 1.656 52 T CA -0.769 61.367 62.100 0.060 0.000 0.971 52 T CB 1.164 70.070 68.868 0.064 0.000 1.760 52 T HN 0.182 nan 8.240 nan 0.000 0.490 53 D N 0.609 121.070 120.400 0.101 0.000 2.264 53 D HA 0.406 5.047 4.640 0.002 0.000 0.250 53 D C 0.777 177.211 176.300 0.223 0.000 1.113 53 D CA -0.446 53.637 54.000 0.137 0.000 0.871 53 D CB 0.436 41.300 40.800 0.107 0.000 1.167 53 D HN 0.285 nan 8.370 nan 0.000 0.447 54 F N 3.104 123.083 119.950 0.048 0.000 1.990 54 F HA -0.135 4.393 4.527 0.002 0.000 0.294 54 F C 2.022 177.870 175.800 0.080 0.000 1.177 54 F CA 1.369 59.399 58.000 0.051 0.000 1.167 54 F CB -0.492 38.545 39.000 0.061 0.000 0.971 54 F HN 0.507 nan 8.300 nan 0.000 0.483 55 E N 0.463 120.746 120.200 0.138 0.000 2.108 55 E HA -0.301 4.050 4.350 0.002 0.000 0.203 55 E C 2.084 178.777 176.600 0.155 0.000 1.022 55 E CA 1.939 58.425 56.400 0.143 0.000 0.823 55 E CB -0.916 28.907 29.700 0.205 0.000 0.744 55 E HN 0.614 nan 8.360 nan 0.000 0.456 56 E N 0.298 120.569 120.200 0.119 0.000 2.130 56 E HA -0.178 4.173 4.350 0.002 0.000 0.196 56 E C 1.983 178.618 176.600 0.058 0.000 0.998 56 E CA 1.127 57.584 56.400 0.094 0.000 0.806 56 E CB -0.068 29.679 29.700 0.078 0.000 0.738 56 E HN 0.286 nan 8.360 nan 0.000 0.459 57 A N 1.353 124.190 122.820 0.028 0.000 1.874 57 A HA -0.099 4.222 4.320 0.002 0.000 0.214 57 A C 2.209 179.712 177.584 -0.135 0.000 1.189 57 A CA 1.034 53.065 52.037 -0.009 0.000 0.615 57 A CB -0.580 18.465 19.000 0.075 0.000 0.830 57 A HN 0.373 nan 8.150 nan 0.000 0.443 58 I N -4.992 115.377 120.570 -0.334 0.000 2.546 58 I HA 0.021 4.192 4.170 0.002 0.000 0.255 58 I C 1.518 177.271 176.117 -0.606 0.000 1.163 58 I CA 1.345 62.305 61.300 -0.567 0.000 1.457 58 I CB -0.322 37.102 38.000 -0.960 0.000 1.092 58 I HN 0.096 nan 8.210 nan 0.000 0.434 59 F N 2.012 121.838 119.950 -0.207 0.000 2.727 59 F HA 0.151 4.679 4.527 0.002 0.000 0.302 59 F C 2.532 178.275 175.800 -0.095 0.000 1.097 59 F CA 0.405 58.330 58.000 -0.126 0.000 1.330 59 F CB -0.187 38.784 39.000 -0.049 0.000 1.084 59 F HN 0.147 nan 8.300 nan 0.000 0.578 60 S N 0.288 115.998 115.700 0.016 0.000 2.555 60 S HA -0.173 4.298 4.470 0.002 0.000 0.230 60 S C 1.886 176.473 174.600 -0.022 0.000 0.978 60 S CA 0.669 58.882 58.200 0.021 0.000 0.934 60 S CB -0.571 62.632 63.200 0.005 0.000 0.766 60 S HN 0.612 nan 8.310 nan 0.000 0.533 61 K N 0.032 120.348 120.400 -0.140 0.000 2.167 61 K HA -0.037 4.284 4.320 0.002 0.000 0.203 61 K C -0.191 176.346 176.600 -0.107 0.000 1.052 61 K CA 0.425 56.605 56.287 -0.178 0.000 0.956 61 K CB -0.612 31.696 32.500 -0.320 0.000 0.735 61 K HN 0.366 nan 8.250 nan 0.000 0.451 62 Y N 3.469 123.803 120.300 0.056 0.000 2.529 62 Y HA 0.047 4.598 4.550 0.002 0.000 0.342 62 Y C 0.592 176.521 175.900 0.049 0.000 1.249 62 Y CA -0.909 57.227 58.100 0.059 0.000 1.810 62 Y CB -0.594 37.910 38.460 0.072 0.000 1.653 62 Y HN 0.001 nan 8.280 nan 0.000 0.451 63 V N -0.199 119.819 119.914 0.173 0.000 2.973 63 V HA 0.875 4.996 4.120 0.002 0.000 0.314 63 V C 0.761 176.926 176.094 0.118 0.000 1.066 63 V CA -0.941 61.432 62.300 0.122 0.000 1.021 63 V CB 1.366 33.243 31.823 0.090 0.000 1.076 63 V HN 0.623 nan 8.190 nan 0.000 0.462 64 G N 2.160 111.014 108.800 0.090 0.000 2.340 64 G HA2 0.094 4.055 3.960 0.002 0.000 0.245 64 G HA3 0.094 4.055 3.960 0.002 0.000 0.245 64 G C 0.550 175.500 174.900 0.084 0.000 1.294 64 G CA -0.077 45.070 45.100 0.079 0.000 0.896 64 G HN 0.866 nan 8.290 nan 0.000 0.522 65 N N 1.616 120.367 118.700 0.085 0.000 2.000 65 N HA -0.152 4.589 4.740 0.002 0.000 0.198 65 N C 1.591 177.156 175.510 0.091 0.000 1.057 65 N CA 1.916 55.026 53.050 0.099 0.000 0.858 65 N CB -0.242 38.300 38.487 0.093 0.000 1.057 65 N HN 0.947 nan 8.380 nan 0.000 0.423 66 K N -1.253 119.187 120.400 0.067 0.000 7.924 66 K HA -0.183 4.138 4.320 0.002 0.000 0.198 66 K C 0.140 176.762 176.600 0.037 0.000 1.601 66 K CA 0.548 56.866 56.287 0.051 0.000 0.919 66 K CB -1.722 30.814 32.500 0.061 0.000 0.430 66 K HN 0.155 nan 8.250 nan 0.000 0.423 67 I N 2.062 122.649 120.570 0.028 0.000 2.815 67 I HA 0.098 4.269 4.170 0.002 0.000 0.291 67 I C -0.008 176.101 176.117 -0.013 0.000 1.209 67 I CA 1.071 62.367 61.300 -0.008 0.000 1.431 67 I CB 1.032 39.014 38.000 -0.031 0.000 1.351 67 I HN 0.672 nan 8.210 nan 0.000 0.585 68 T N 4.413 118.948 114.554 -0.031 0.000 3.041 68 T HA 0.228 4.579 4.350 0.002 0.000 0.276 68 T C 0.179 174.850 174.700 -0.049 0.000 0.948 68 T CA -0.132 61.954 62.100 -0.024 0.000 0.885 68 T CB 0.064 68.929 68.868 -0.006 0.000 1.175 68 T HN 0.659 nan 8.240 nan 0.000 0.529 69 E N 2.065 122.224 120.200 -0.068 0.000 2.133 69 E HA 0.375 4.726 4.350 0.002 0.000 0.274 69 E C -0.785 175.757 176.600 -0.097 0.000 0.930 69 E CA -0.386 55.972 56.400 -0.070 0.000 0.770 69 E CB 2.105 31.771 29.700 -0.058 0.000 1.104 69 E HN -0.005 nan 8.360 nan 0.000 0.403 70 V N 5.374 125.232 119.914 -0.093 0.000 2.393 70 V HA -0.102 4.019 4.120 0.002 0.000 0.257 70 V C 0.481 176.535 176.094 -0.066 0.000 1.040 70 V CA 0.076 62.316 62.300 -0.100 0.000 1.097 70 V CB -1.073 30.711 31.823 -0.065 0.000 1.101 70 V HN 0.672 nan 8.190 nan 0.000 0.479 71 D N 3.503 123.868 120.400 -0.058 0.000 2.274 71 D HA -0.038 4.603 4.640 0.002 0.000 0.256 71 D C 1.206 177.465 176.300 -0.069 0.000 1.274 71 D CA 0.197 54.157 54.000 -0.068 0.000 0.998 71 D CB 0.473 41.235 40.800 -0.063 0.000 1.139 71 D HN 0.616 nan 8.370 nan 0.000 0.540 72 E N -1.909 118.195 120.200 -0.161 0.000 2.447 72 E HA -0.050 4.301 4.350 0.002 0.000 0.195 72 E C 1.391 177.951 176.600 -0.066 0.000 1.028 72 E CA -0.069 56.250 56.400 -0.134 0.000 0.876 72 E CB -0.390 29.202 29.700 -0.180 0.000 0.885 72 E HN 0.637 nan 8.360 nan 0.000 0.500 73 Y N 0.937 121.280 120.300 0.071 0.000 2.153 73 Y HA -0.099 4.452 4.550 0.002 0.000 0.289 73 Y C 2.557 178.510 175.900 0.087 0.000 1.127 73 Y CA 1.042 59.196 58.100 0.089 0.000 1.131 73 Y CB -0.181 38.360 38.460 0.135 0.000 0.995 73 Y HN 0.017 nan 8.280 nan 0.000 0.505 74 M N 0.402 120.135 119.600 0.221 0.000 2.073 74 M HA -0.296 4.185 4.480 0.002 0.000 0.258 74 M C 2.037 178.412 176.300 0.125 0.000 1.070 74 M CA 1.874 57.253 55.300 0.131 0.000 1.103 74 M CB -0.676 31.907 32.600 -0.028 0.000 1.321 74 M HN 0.196 nan 8.290 nan 0.000 0.405 75 K N 0.081 120.530 120.400 0.082 0.000 2.074 75 K HA -0.234 4.087 4.320 0.002 0.000 0.209 75 K C 1.971 178.635 176.600 0.108 0.000 1.048 75 K CA 1.764 58.096 56.287 0.075 0.000 0.926 75 K CB -0.235 32.287 32.500 0.037 0.000 0.713 75 K HN 0.432 nan 8.250 nan 0.000 0.444 76 E N 0.274 120.549 120.200 0.126 0.000 2.076 76 E HA -0.126 4.225 4.350 0.002 0.000 0.190 76 E C 1.976 178.687 176.600 0.184 0.000 0.979 76 E CA 0.723 57.208 56.400 0.142 0.000 0.807 76 E CB 0.003 29.786 29.700 0.139 0.000 0.761 76 E HN 0.292 nan 8.360 nan 0.000 0.454 77 A N 0.843 123.780 122.820 0.196 0.000 1.869 77 A HA -0.246 4.075 4.320 0.002 0.000 0.218 77 A C 2.426 180.172 177.584 0.270 0.000 1.203 77 A CA 2.041 54.216 52.037 0.231 0.000 0.638 77 A CB -1.207 17.924 19.000 0.219 0.000 0.831 77 A HN 0.236 nan 8.150 nan 0.000 0.450 78 V N 0.674 120.726 119.914 0.231 0.000 2.278 78 V HA -0.343 3.778 4.120 0.002 0.000 0.251 78 V C 2.255 178.467 176.094 0.197 0.000 1.062 78 V CA 2.549 64.981 62.300 0.221 0.000 1.038 78 V CB -0.839 31.080 31.823 0.161 0.000 0.646 78 V HN 0.568 nan 8.190 nan 0.000 0.447 79 D N -1.778 118.727 120.400 0.175 0.000 2.117 79 D HA -0.159 4.482 4.640 0.002 0.000 0.198 79 D C 2.044 178.442 176.300 0.164 0.000 0.982 79 D CA 1.434 55.520 54.000 0.144 0.000 0.828 79 D CB -0.246 40.631 40.800 0.129 0.000 0.967 79 D HN 0.621 nan 8.370 nan 0.000 0.464 80 H N -0.457 118.690 119.070 0.129 0.000 2.326 80 H HA -0.170 4.387 4.556 0.002 0.000 0.301 80 H C 2.063 177.499 175.328 0.180 0.000 1.081 80 H CA 1.065 57.191 56.048 0.130 0.000 1.334 80 H CB -0.065 29.773 29.762 0.126 0.000 1.385 80 H HN 0.091 nan 8.280 nan 0.000 0.504 81 Y N 1.369 121.660 120.300 -0.016 0.000 2.163 81 Y HA -0.096 4.456 4.550 0.002 0.000 0.288 81 Y C 2.738 178.618 175.900 -0.034 0.000 1.136 81 Y CA 1.529 59.599 58.100 -0.051 0.000 1.147 81 Y CB -0.960 37.546 38.460 0.078 0.000 0.987 81 Y HN 0.288 nan 8.280 nan 0.000 0.509 82 A N -0.153 122.645 122.820 -0.037 0.000 1.940 82 A HA -0.136 4.185 4.320 0.002 0.000 0.219 82 A C 2.493 180.009 177.584 -0.113 0.000 1.176 82 A CA 1.801 53.774 52.037 -0.106 0.000 0.631 82 A CB -1.589 17.418 19.000 0.012 0.000 0.814 82 A HN 0.565 nan 8.150 nan 0.000 0.446 83 G N -1.446 107.305 108.800 -0.082 0.000 2.448 83 G HA2 -0.116 3.845 3.960 0.002 0.000 0.218 83 G HA3 -0.116 3.845 3.960 0.002 0.000 0.218 83 G C 1.562 176.391 174.900 -0.118 0.000 1.135 83 G CA 0.787 45.843 45.100 -0.073 0.000 0.784 83 G HN 0.621 nan 8.290 nan 0.000 0.543 84 Q N -0.341 119.345 119.800 -0.190 0.000 2.046 84 Q HA 0.059 4.400 4.340 0.002 0.000 0.200 84 Q C 2.612 178.508 176.000 -0.174 0.000 0.975 84 Q CA 0.820 56.519 55.803 -0.174 0.000 0.836 84 Q CB -0.217 28.426 28.738 -0.158 0.000 0.896 84 Q HN 0.445 nan 8.270 nan 0.000 0.428 85 L N -0.016 121.056 121.223 -0.253 0.000 2.131 85 L HA -0.183 4.158 4.340 0.002 0.000 0.210 85 L C 2.375 179.181 176.870 -0.107 0.000 1.092 85 L CA 0.479 55.189 54.840 -0.217 0.000 0.759 85 L CB -0.409 41.497 42.059 -0.255 0.000 0.903 85 L HN 0.336 nan 8.230 nan 0.000 0.435 86 M N 0.037 119.588 119.600 -0.081 0.000 2.267 86 M HA -0.164 4.317 4.480 0.002 0.000 0.263 86 M C 2.566 178.848 176.300 -0.030 0.000 1.063 86 M CA 1.921 57.201 55.300 -0.033 0.000 1.090 86 M CB -1.244 31.342 32.600 -0.023 0.000 1.392 86 M HN 0.424 nan 8.290 nan 0.000 0.422 87 S N -0.429 115.242 115.700 -0.048 0.000 2.481 87 S HA 0.006 4.477 4.470 0.002 0.000 0.231 87 S C 1.824 176.403 174.600 -0.036 0.000 0.996 87 S CA 0.476 58.654 58.200 -0.037 0.000 0.942 87 S CB -0.665 62.511 63.200 -0.039 0.000 0.768 87 S HN 0.515 nan 8.310 nan 0.000 0.520 88 L N 1.013 122.207 121.223 -0.050 0.000 2.478 88 L HA 0.099 4.440 4.340 0.002 0.000 0.223 88 L C -0.150 176.710 176.870 -0.015 0.000 1.140 88 L CA 0.143 54.956 54.840 -0.046 0.000 0.842 88 L CB -0.773 41.235 42.059 -0.085 0.000 0.953 88 L HN 0.127 nan 8.230 nan 0.000 0.452 89 D N 1.261 121.659 120.400 -0.004 0.000 2.803 89 D HA -0.180 4.461 4.640 0.002 0.000 0.233 89 D C -0.038 176.279 176.300 0.029 0.000 1.182 89 D CA 0.800 54.806 54.000 0.011 0.000 0.726 89 D CB -0.983 39.820 40.800 0.005 0.000 0.987 89 D HN 0.233 nan 8.370 nan 0.000 0.412 90 I N 0.723 121.328 120.570 0.058 0.000 2.533 90 I HA -0.042 4.129 4.170 0.002 0.000 0.284 90 I C 1.300 177.474 176.117 0.096 0.000 1.109 90 I CA -0.321 61.043 61.300 0.106 0.000 1.412 90 I CB 0.437 38.554 38.000 0.196 0.000 1.396 90 I HN 0.025 nan 8.210 nan 0.000 0.543 91 N N 4.698 123.441 118.700 0.072 0.000 2.447 91 N HA -0.051 4.690 4.740 0.002 0.000 0.263 91 N C 0.792 176.280 175.510 -0.036 0.000 1.226 91 N CA 0.305 53.363 53.050 0.014 0.000 0.906 91 N CB 0.811 39.306 38.487 0.014 0.000 1.060 91 N HN 0.721 nan 8.380 nan 0.000 0.468 92 T N -0.417 114.017 114.554 -0.200 0.000 3.092 92 T HA 0.216 4.567 4.350 0.002 0.000 0.258 92 T C 0.430 174.822 174.700 -0.512 0.000 1.031 92 T CA -0.249 61.500 62.100 -0.584 0.000 0.925 92 T CB 0.011 68.577 68.868 -0.503 0.000 1.036 92 T HN 0.423 nan 8.240 nan 0.000 0.544 93 E N 1.827 121.870 120.200 -0.261 0.000 2.343 93 E HA 0.158 4.509 4.350 0.002 0.000 0.269 93 E C -0.095 176.400 176.600 -0.174 0.000 1.047 93 E CA -0.457 55.828 56.400 -0.191 0.000 0.874 93 E CB 0.663 30.296 29.700 -0.111 0.000 1.033 93 E HN 0.384 nan 8.360 nan 0.000 0.409 94 Q N 2.065 121.771 119.800 -0.157 0.000 2.283 94 Q HA -0.068 4.273 4.340 0.002 0.000 0.301 94 Q C -0.117 175.831 176.000 -0.086 0.000 1.063 94 Q CA 0.719 56.443 55.803 -0.132 0.000 0.952 94 Q CB 0.543 29.216 28.738 -0.108 0.000 1.166 94 Q HN 0.429 nan 8.270 nan 0.000 0.381 95 M N 3.267 122.821 119.600 -0.076 0.000 2.233 95 M HA 0.108 4.589 4.480 0.002 0.000 0.350 95 M C -0.116 176.166 176.300 -0.029 0.000 1.176 95 M CA -0.491 54.785 55.300 -0.040 0.000 1.150 95 M CB 0.448 33.030 32.600 -0.030 0.000 1.530 95 M HN 0.834 nan 8.290 nan 0.000 0.459 96 C N 3.943 123.238 119.300 -0.007 0.000 2.520 96 C HA 0.255 4.716 4.460 0.002 0.000 0.376 96 C C 1.578 176.580 174.990 0.020 0.000 1.268 96 C CA -1.034 57.987 59.018 0.005 0.000 2.414 96 C CB 0.159 27.907 27.740 0.013 0.000 2.521 96 C HN 1.093 nan 8.230 nan 0.000 0.618 97 L N 1.052 122.290 121.223 0.026 0.000 2.187 97 L HA -0.115 4.226 4.340 0.002 0.000 0.213 97 L C 2.488 179.396 176.870 0.063 0.000 1.100 97 L CA 2.232 57.092 54.840 0.034 0.000 0.765 97 L CB -1.068 41.014 42.059 0.039 0.000 0.904 97 L HN 0.980 nan 8.230 nan 0.000 0.437 98 E N -0.905 119.351 120.200 0.095 0.000 2.028 98 E HA -0.210 4.141 4.350 0.002 0.000 0.190 98 E C 1.593 178.305 176.600 0.186 0.000 0.984 98 E CA 1.223 57.732 56.400 0.182 0.000 0.800 98 E CB -0.029 29.753 29.700 0.137 0.000 0.758 98 E HN 0.523 nan 8.360 nan 0.000 0.448 99 D N 0.186 120.651 120.400 0.108 0.000 2.218 99 D HA -0.119 4.522 4.640 0.002 0.000 0.204 99 D C 1.609 177.950 176.300 0.069 0.000 0.976 99 D CA 1.097 55.152 54.000 0.092 0.000 0.853 99 D CB -0.074 40.762 40.800 0.061 0.000 0.939 99 D HN 0.269 nan 8.370 nan 0.000 0.481 100 A N 0.027 122.872 122.820 0.041 0.000 1.970 100 A HA -0.022 4.299 4.320 0.002 0.000 0.216 100 A C 2.170 179.736 177.584 -0.030 0.000 1.170 100 A CA 0.697 52.744 52.037 0.017 0.000 0.645 100 A CB -0.231 18.772 19.000 0.005 0.000 0.816 100 A HN 0.124 nan 8.150 nan 0.000 0.447 101 M N -2.618 116.924 119.600 -0.097 0.000 2.248 101 M HA 0.050 4.532 4.480 0.002 0.000 0.265 101 M C 1.406 177.443 176.300 -0.437 0.000 1.079 101 M CA 1.356 56.451 55.300 -0.342 0.000 1.150 101 M CB -0.116 32.131 32.600 -0.588 0.000 1.366 101 M HN 0.496 nan 8.290 nan 0.000 0.433 102 Y N 0.051 120.363 120.300 0.020 0.000 2.444 102 Y HA 0.425 4.976 4.550 0.002 0.000 0.249 102 Y C 1.126 177.039 175.900 0.022 0.000 1.134 102 Y CA 0.112 58.221 58.100 0.015 0.000 1.261 102 Y CB 0.591 39.057 38.460 0.009 0.000 1.143 102 Y HN 0.329 nan 8.280 nan 0.000 0.523 103 G N 0.441 109.318 108.800 0.128 0.000 2.699 103 G HA2 0.051 4.012 3.960 0.002 0.000 0.686 103 G HA3 0.051 4.012 3.960 0.002 0.000 0.686 103 G C -0.518 174.442 174.900 0.100 0.000 1.301 103 G CA -0.200 44.960 45.100 0.101 0.000 0.816 103 G HN 0.263 nan 8.290 nan 0.000 0.595 104 T N -1.161 113.444 114.554 0.086 0.000 2.626 104 T HA 0.538 4.889 4.350 0.002 0.000 0.299 104 T C -1.038 173.705 174.700 0.071 0.000 1.181 104 T CA 0.624 62.767 62.100 0.071 0.000 1.053 104 T CB 1.566 70.473 68.868 0.064 0.000 1.566 104 T HN 1.112 nan 8.240 nan 0.000 0.486 105 D N -0.238 120.198 120.400 0.061 0.000 2.363 105 D HA 0.446 5.087 4.640 0.002 0.000 0.263 105 D C 1.202 177.552 176.300 0.084 0.000 1.258 105 D CA 2.017 56.054 54.000 0.062 0.000 0.907 105 D CB -0.280 40.550 40.800 0.049 0.000 1.107 105 D HN 1.053 nan 8.370 nan 0.000 0.495 106 G N 3.074 111.935 108.800 0.102 0.000 2.179 106 G HA2 -0.200 3.761 3.960 0.002 0.000 0.220 106 G HA3 -0.200 3.761 3.960 0.002 0.000 0.220 106 G C 0.050 175.099 174.900 0.248 0.000 0.990 106 G CA 0.022 45.217 45.100 0.158 0.000 0.646 106 G HN 0.600 nan 8.290 nan 0.000 0.517 107 L N 1.537 122.866 121.223 0.178 0.000 2.568 107 L HA 0.437 4.778 4.340 0.002 0.000 0.262 107 L C -0.021 176.919 176.870 0.117 0.000 0.980 107 L CA -0.914 54.048 54.840 0.202 0.000 0.882 107 L CB 0.868 43.049 42.059 0.204 0.000 1.198 107 L HN 0.062 nan 8.230 nan 0.000 0.425 108 E N 1.979 122.222 120.200 0.072 0.000 2.485 108 E HA 0.095 4.446 4.350 0.002 0.000 0.266 108 E C 0.216 176.842 176.600 0.043 0.000 1.090 108 E CA 0.355 56.777 56.400 0.037 0.000 0.987 108 E CB 0.756 30.453 29.700 -0.005 0.000 0.974 108 E HN 0.645 nan 8.360 nan 0.000 0.455 109 A N 1.920 124.761 122.820 0.034 0.000 2.296 109 A HA 0.310 4.631 4.320 0.002 0.000 0.264 109 A C 0.317 177.890 177.584 -0.018 0.000 1.097 109 A CA -0.520 51.527 52.037 0.016 0.000 0.811 109 A CB 0.188 19.216 19.000 0.046 0.000 1.072 109 A HN 0.534 nan 8.150 nan 0.000 0.495 110 L N 0.875 122.058 121.223 -0.065 0.000 2.514 110 L HA 0.005 4.346 4.340 0.002 0.000 0.280 110 L C 0.370 177.211 176.870 -0.049 0.000 1.223 110 L CA -0.125 54.677 54.840 -0.064 0.000 0.864 110 L CB 0.129 42.124 42.059 -0.107 0.000 1.118 110 L HN 0.687 nan 8.230 nan 0.000 0.494 111 D N 3.450 123.828 120.400 -0.037 0.000 2.349 111 D HA 0.035 4.676 4.640 0.002 0.000 0.266 111 D C 0.912 177.191 176.300 -0.034 0.000 1.293 111 D CA 0.194 54.175 54.000 -0.032 0.000 0.926 111 D CB 0.786 41.566 40.800 -0.032 0.000 1.090 111 D HN 0.360 nan 8.370 nan 0.000 0.502 112 L N 2.754 123.961 121.223 -0.027 0.000 2.551 112 L HA -0.080 4.261 4.340 0.002 0.000 0.228 112 L C 1.987 178.842 176.870 -0.025 0.000 1.153 112 L CA 0.515 55.339 54.840 -0.026 0.000 0.851 112 L CB -0.371 41.682 42.059 -0.009 0.000 0.959 112 L HN 0.356 nan 8.230 nan 0.000 0.451 113 S N -2.132 113.553 115.700 -0.026 0.000 2.575 113 S HA 0.037 4.508 4.470 0.002 0.000 0.215 113 S C 0.878 175.457 174.600 -0.034 0.000 0.966 113 S CA -0.171 58.013 58.200 -0.027 0.000 0.911 113 S CB -0.412 62.772 63.200 -0.027 0.000 0.780 113 S HN 0.398 nan 8.310 nan 0.000 0.514 114 T N -0.592 113.941 114.554 -0.035 0.000 2.950 114 T HA 0.616 4.968 4.350 0.002 0.000 0.288 114 T C -0.085 174.597 174.700 -0.030 0.000 1.035 114 T CA -0.680 61.397 62.100 -0.038 0.000 1.028 114 T CB 1.441 70.289 68.868 -0.033 0.000 1.109 114 T HN 0.064 nan 8.240 nan 0.000 0.514 115 S N -0.230 115.454 115.700 -0.027 0.000 2.563 115 S HA 0.342 4.813 4.470 0.002 0.000 0.284 115 S C 1.415 176.032 174.600 0.028 0.000 1.331 115 S CA -0.178 58.025 58.200 0.004 0.000 1.047 115 S CB -0.176 63.036 63.200 0.020 0.000 0.859 115 S HN 1.013 nan 8.310 nan 0.000 0.514 116 A N 3.931 126.776 122.820 0.041 0.000 2.238 116 A HA 0.494 4.815 4.320 0.002 0.000 0.208 116 A C 1.377 179.064 177.584 0.172 0.000 1.177 116 A CA 0.656 52.727 52.037 0.057 0.000 0.804 116 A CB -1.547 17.430 19.000 -0.039 0.000 0.823 116 A HN 1.913 nan 8.150 nan 0.000 0.482 117 G N -1.111 107.783 108.800 0.157 0.000 2.692 117 G HA2 -0.269 3.692 3.960 0.002 0.000 0.248 117 G HA3 -0.269 3.692 3.960 0.002 0.000 0.248 117 G C -0.083 174.894 174.900 0.128 0.000 1.340 117 G CA 0.029 45.228 45.100 0.165 0.000 0.896 117 G HN 1.110 nan 8.290 nan 0.000 0.570 118 Y N 2.910 123.181 120.300 -0.048 0.000 2.511 118 Y HA 0.408 4.959 4.550 0.002 0.000 0.332 118 Y C -0.418 175.267 175.900 -0.359 0.000 1.177 118 Y CA -0.460 57.528 58.100 -0.187 0.000 1.422 118 Y CB 1.341 39.661 38.460 -0.233 0.000 1.271 118 Y HN 0.319 nan 8.280 nan 0.000 0.550 119 P HA -0.044 nan 4.420 nan 0.000 0.257 119 P C 0.466 177.232 177.300 -0.890 0.000 1.241 119 P CA 0.816 62.798 63.100 -1.863 0.000 0.816 119 P CB 0.108 30.610 31.700 -1.997 0.000 1.150 120 Y N -0.123 119.929 120.300 -0.413 0.000 2.315 120 Y HA -0.123 4.428 4.550 0.002 0.000 0.288 120 Y C 2.600 178.427 175.900 -0.121 0.000 1.154 120 Y CA 0.603 58.563 58.100 -0.233 0.000 1.229 120 Y CB -1.743 36.617 38.460 -0.166 0.000 0.980 120 Y HN -0.170 nan 8.280 nan 0.000 0.540 121 V N -0.232 119.703 119.914 0.035 0.000 2.867 121 V HA -0.232 3.890 4.120 0.002 0.000 0.260 121 V C 2.033 178.160 176.094 0.054 0.000 1.099 121 V CA 1.732 64.080 62.300 0.079 0.000 1.122 121 V CB -0.554 31.351 31.823 0.137 0.000 0.708 121 V HN 0.460 nan 8.190 nan 0.000 0.490 122 A N -1.255 121.561 122.820 -0.007 0.000 2.140 122 A HA 0.215 4.536 4.320 0.002 0.000 0.209 122 A C 1.914 179.498 177.584 -0.000 0.000 1.181 122 A CA 0.601 52.646 52.037 0.013 0.000 0.824 122 A CB -0.088 18.923 19.000 0.018 0.000 0.879 122 A HN 0.518 nan 8.150 nan 0.000 0.480 123 M N -1.015 118.567 119.600 -0.029 0.000 2.556 123 M HA 0.220 4.701 4.480 0.002 0.000 0.245 123 M C 1.350 177.666 176.300 0.026 0.000 1.128 123 M CA 0.824 56.120 55.300 -0.005 0.000 1.069 123 M CB 0.308 32.895 32.600 -0.022 0.000 1.469 123 M HN 0.544 nan 8.290 nan 0.000 0.494 124 G N 1.757 110.578 108.800 0.034 0.000 2.143 124 G HA2 -0.263 3.698 3.960 0.002 0.000 0.249 124 G HA3 -0.263 3.698 3.960 0.002 0.000 0.249 124 G C 0.070 174.995 174.900 0.043 0.000 0.981 124 G CA 0.102 45.226 45.100 0.039 0.000 0.665 124 G HN 0.443 nan 8.290 nan 0.000 0.528 125 K N 0.444 120.880 120.400 0.061 0.000 2.144 125 K HA 0.596 4.917 4.320 0.002 0.000 0.270 125 K C 0.461 177.082 176.600 0.035 0.000 1.005 125 K CA -0.237 56.087 56.287 0.061 0.000 0.932 125 K CB 0.457 33.033 32.500 0.127 0.000 1.021 125 K HN 0.211 nan 8.250 nan 0.000 0.462 126 K N 2.003 122.394 120.400 -0.016 0.000 2.400 126 K HA 0.246 4.567 4.320 0.002 0.000 0.246 126 K C 0.431 176.975 176.600 -0.092 0.000 0.995 126 K CA -0.915 55.350 56.287 -0.037 0.000 0.840 126 K CB 1.655 34.143 32.500 -0.019 0.000 1.293 126 K HN 0.374 nan 8.250 nan 0.000 0.445 127 K N 1.068 121.415 120.400 -0.090 0.000 2.063 127 K HA -0.143 4.178 4.320 0.002 0.000 0.208 127 K C 1.799 178.352 176.600 -0.079 0.000 1.048 127 K CA 1.544 57.762 56.287 -0.114 0.000 0.928 127 K CB -0.006 32.442 32.500 -0.086 0.000 0.713 127 K HN 0.388 nan 8.250 nan 0.000 0.442 128 R N 0.877 121.350 120.500 -0.044 0.000 2.159 128 R HA -0.128 4.213 4.340 0.002 0.000 0.237 128 R C 1.460 177.750 176.300 -0.016 0.000 1.131 128 R CA 1.280 57.369 56.100 -0.018 0.000 0.982 128 R CB -0.171 30.124 30.300 -0.009 0.000 0.868 128 R HN 0.273 nan 8.270 nan 0.000 0.453 129 D N -0.094 120.287 120.400 -0.031 0.000 2.348 129 D HA -0.060 4.581 4.640 0.002 0.000 0.216 129 D C 1.516 177.798 176.300 -0.032 0.000 0.970 129 D CA 1.014 55.000 54.000 -0.024 0.000 0.889 129 D CB 0.219 41.006 40.800 -0.022 0.000 0.912 129 D HN 0.307 nan 8.370 nan 0.000 0.524 130 I N -0.630 119.905 120.570 -0.058 0.000 3.718 130 I HA -0.006 4.165 4.170 0.002 0.000 0.297 130 I C 0.134 176.248 176.117 -0.004 0.000 1.220 130 I CA 0.090 61.352 61.300 -0.063 0.000 1.381 130 I CB 0.541 38.441 38.000 -0.167 0.000 1.238 130 I HN -0.187 nan 8.210 nan 0.000 0.448 131 L N 1.004 122.232 121.223 0.008 0.000 2.344 131 L HA 0.408 4.749 4.340 0.002 0.000 0.272 131 L C -0.099 176.879 176.870 0.179 0.000 1.035 131 L CA -0.084 54.828 54.840 0.120 0.000 0.807 131 L CB 0.649 42.710 42.059 0.003 0.000 1.237 131 L HN 0.056 nan 8.230 nan 0.000 0.442 132 N N 1.271 120.154 118.700 0.305 0.000 2.640 132 N HA 0.155 4.896 4.740 0.002 0.000 0.262 132 N C 0.294 175.816 175.510 0.020 0.000 1.174 132 N CA -0.218 52.904 53.050 0.120 0.000 0.791 132 N CB 1.000 39.504 38.487 0.028 0.000 1.279 132 N HN 0.551 nan 8.380 nan 0.000 0.535 133 K N 1.036 121.502 120.400 0.110 0.000 2.211 133 K HA -0.216 4.105 4.320 0.002 0.000 0.204 133 K C 1.312 177.829 176.600 -0.139 0.000 1.047 133 K CA 1.319 57.619 56.287 0.021 0.000 0.935 133 K CB 0.304 32.866 32.500 0.102 0.000 0.728 133 K HN 0.438 nan 8.250 nan 0.000 0.452 134 Q N 0.657 120.402 119.800 -0.092 0.000 2.020 134 Q HA -0.110 4.231 4.340 0.002 0.000 0.198 134 Q C 1.993 177.911 176.000 -0.136 0.000 0.974 134 Q CA 2.442 58.191 55.803 -0.090 0.000 0.829 134 Q CB -0.339 28.369 28.738 -0.050 0.000 0.894 134 Q HN 0.425 nan 8.270 nan 0.000 0.433 135 T N -2.738 111.724 114.554 -0.154 0.000 3.014 135 T HA 0.085 4.436 4.350 0.002 0.000 0.263 135 T C 0.352 174.888 174.700 -0.273 0.000 1.078 135 T CA 0.474 62.479 62.100 -0.159 0.000 1.135 135 T CB -0.120 68.688 68.868 -0.100 0.000 0.895 135 T HN 0.432 nan 8.240 nan 0.000 0.480 136 R N 1.537 121.710 120.500 -0.544 0.000 3.423 136 R HA -0.137 4.204 4.340 0.002 0.000 0.271 136 R C -0.845 175.189 176.300 -0.444 0.000 1.093 136 R CA 0.672 56.156 56.100 -1.026 0.000 0.730 136 R CB -2.470 27.453 30.300 -0.628 0.000 1.190 136 R HN 0.734 nan 8.270 nan 0.000 0.437 137 D N -0.238 120.039 120.400 -0.205 0.000 2.308 137 D HA 0.144 4.785 4.640 0.002 0.000 0.251 137 D C 1.320 177.717 176.300 0.162 0.000 1.127 137 D CA 0.540 54.543 54.000 0.005 0.000 0.876 137 D CB 1.043 41.848 40.800 0.008 0.000 1.176 137 D HN 0.220 nan 8.370 nan 0.000 0.446 138 T N 0.098 114.726 114.554 0.123 0.000 2.975 138 T HA 0.013 4.364 4.350 0.002 0.000 0.257 138 T C 1.525 176.270 174.700 0.075 0.000 1.003 138 T CA -0.089 62.089 62.100 0.130 0.000 0.932 138 T CB -0.154 68.786 68.868 0.120 0.000 1.087 138 T HN 0.529 nan 8.240 nan 0.000 0.512 139 K N 1.465 121.899 120.400 0.056 0.000 2.152 139 K HA -0.174 4.147 4.320 0.002 0.000 0.206 139 K C 2.072 178.698 176.600 0.042 0.000 1.048 139 K CA 1.869 58.181 56.287 0.041 0.000 0.933 139 K CB -0.243 32.275 32.500 0.030 0.000 0.721 139 K HN 0.409 nan 8.250 nan 0.000 0.447 140 E N 1.175 121.403 120.200 0.046 0.000 2.072 140 E HA -0.159 4.192 4.350 0.002 0.000 0.190 140 E C 2.056 178.681 176.600 0.042 0.000 0.982 140 E CA 0.956 57.381 56.400 0.042 0.000 0.803 140 E CB -0.144 29.576 29.700 0.034 0.000 0.755 140 E HN 0.287 nan 8.360 nan 0.000 0.453 141 M N 0.532 120.154 119.600 0.036 0.000 2.065 141 M HA -0.189 4.292 4.480 0.002 0.000 0.259 141 M C 2.189 178.521 176.300 0.053 0.000 1.069 141 M CA 2.014 57.330 55.300 0.026 0.000 1.110 141 M CB -0.625 31.981 32.600 0.011 0.000 1.328 141 M HN 0.170 nan 8.290 nan 0.000 0.405 142 Q N 0.581 120.411 119.800 0.051 0.000 2.045 142 Q HA -0.262 4.079 4.340 0.002 0.000 0.206 142 Q C 2.027 178.059 176.000 0.053 0.000 0.991 142 Q CA 2.849 58.682 55.803 0.050 0.000 0.851 142 Q CB -0.591 28.171 28.738 0.041 0.000 0.911 142 Q HN 0.674 nan 8.270 nan 0.000 0.418 143 K N -0.458 119.972 120.400 0.050 0.000 2.063 143 K HA -0.164 4.157 4.320 0.002 0.000 0.208 143 K C 2.045 178.685 176.600 0.068 0.000 1.048 143 K CA 1.595 57.908 56.287 0.043 0.000 0.928 143 K CB -0.359 32.165 32.500 0.039 0.000 0.713 143 K HN 0.344 nan 8.250 nan 0.000 0.442 144 L N 1.074 122.372 121.223 0.126 0.000 2.083 144 L HA -0.169 4.172 4.340 0.002 0.000 0.209 144 L C 2.481 179.501 176.870 0.251 0.000 1.083 144 L CA 0.960 55.954 54.840 0.257 0.000 0.752 144 L CB -0.335 41.905 42.059 0.302 0.000 0.899 144 L HN 0.235 nan 8.230 nan 0.000 0.433 145 L N -0.634 120.682 121.223 0.155 0.000 2.027 145 L HA -0.209 4.133 4.340 0.002 0.000 0.206 145 L C 2.210 179.126 176.870 0.076 0.000 1.074 145 L CA 1.103 56.019 54.840 0.127 0.000 0.745 145 L CB -0.627 41.487 42.059 0.092 0.000 0.898 145 L HN 0.265 nan 8.230 nan 0.000 0.433 146 D N -0.684 119.741 120.400 0.041 0.000 2.221 146 D HA -0.152 4.489 4.640 0.002 0.000 0.204 146 D C 2.082 178.350 176.300 -0.053 0.000 0.982 146 D CA 1.489 55.490 54.000 0.001 0.000 0.857 146 D CB -0.146 40.653 40.800 -0.002 0.000 0.934 146 D HN 0.298 nan 8.370 nan 0.000 0.475 147 T N -0.880 113.614 114.554 -0.099 0.000 2.894 147 T HA -0.050 4.301 4.350 0.002 0.000 0.258 147 T C 1.272 175.690 174.700 -0.471 0.000 1.043 147 T CA 0.726 62.621 62.100 -0.342 0.000 1.141 147 T CB -0.044 68.509 68.868 -0.525 0.000 0.873 147 T HN 0.191 nan 8.240 nan 0.000 0.449 148 Y N 0.450 120.760 120.300 0.017 0.000 2.444 148 Y HA 0.443 4.994 4.550 0.002 0.000 0.252 148 Y C 1.759 177.665 175.900 0.010 0.000 1.091 148 Y CA -0.253 57.846 58.100 -0.003 0.000 1.276 148 Y CB -0.033 38.392 38.460 -0.058 0.000 1.170 148 Y HN 0.359 nan 8.280 nan 0.000 0.517 149 G N 2.108 110.985 108.800 0.129 0.000 2.575 149 G HA2 -0.310 3.651 3.960 0.002 0.000 0.267 149 G HA3 -0.310 3.651 3.960 0.002 0.000 0.267 149 G C 0.033 174.977 174.900 0.074 0.000 1.264 149 G CA 0.266 45.411 45.100 0.075 0.000 0.935 149 G HN 0.472 nan 8.290 nan 0.000 0.568 150 I N -3.612 116.960 120.570 0.003 0.000 3.516 150 I HA 0.729 4.900 4.170 0.002 0.000 0.297 150 I C 0.563 176.602 176.117 -0.131 0.000 1.139 150 I CA -0.412 60.869 61.300 -0.031 0.000 1.020 150 I CB 1.620 39.605 38.000 -0.025 0.000 1.341 150 I HN 0.689 nan 8.210 nan 0.000 0.490 151 N N 1.349 119.935 118.700 -0.190 0.000 2.714 151 N HA -0.117 4.624 4.740 0.002 0.000 0.253 151 N C -0.909 174.483 175.510 -0.198 0.000 1.024 151 N CA 0.587 53.478 53.050 -0.264 0.000 0.726 151 N CB -1.037 37.185 38.487 -0.442 0.000 0.908 151 N HN 0.444 nan 8.380 nan 0.000 0.542 152 L N 0.565 121.717 121.223 -0.117 0.000 2.421 152 L HA 0.500 4.842 4.340 0.002 0.000 0.263 152 L C -1.439 175.295 176.870 -0.226 0.000 1.122 152 L CA -1.518 53.266 54.840 -0.093 0.000 0.804 152 L CB 0.444 42.546 42.059 0.072 0.000 1.150 152 L HN -0.037 nan 8.230 nan 0.000 0.457 153 P HA 0.243 nan 4.420 nan 0.000 0.274 153 P C -1.085 175.999 177.300 -0.359 0.000 1.237 153 P CA -0.386 62.424 63.100 -0.484 0.000 0.793 153 P CB 0.816 32.036 31.700 -0.800 0.000 0.977 154 L N 1.250 122.246 121.223 -0.379 0.000 2.343 154 L HA 0.338 4.679 4.340 0.002 0.000 0.275 154 L C 0.159 176.928 176.870 -0.168 0.000 1.056 154 L CA -0.824 53.881 54.840 -0.225 0.000 0.804 154 L CB 1.213 43.129 42.059 -0.238 0.000 1.203 154 L HN 0.099 nan 8.230 nan 0.000 0.440 155 V N 1.091 120.960 119.914 -0.076 0.000 2.432 155 V HA 0.219 4.340 4.120 0.002 0.000 0.271 155 V C 0.399 176.361 176.094 -0.220 0.000 1.046 155 V CA -0.478 61.731 62.300 -0.152 0.000 0.945 155 V CB 0.903 32.643 31.823 -0.138 0.000 0.992 155 V HN 0.757 nan 8.190 nan 0.000 0.471 156 T N 5.904 120.337 114.554 -0.200 0.000 2.761 156 T HA 0.486 4.837 4.350 0.002 0.000 0.296 156 T C -0.670 173.798 174.700 -0.387 0.000 0.934 156 T CA 0.361 62.365 62.100 -0.160 0.000 1.091 156 T CB -0.081 68.775 68.868 -0.019 0.000 0.896 156 T HN 0.475 nan 8.240 nan 0.000 0.515 157 Y N 1.112 121.401 120.300 -0.019 0.000 2.602 157 Y HA 0.599 5.150 4.550 0.002 0.000 0.342 157 Y C 0.040 175.886 175.900 -0.090 0.000 1.029 157 Y CA -1.217 56.874 58.100 -0.015 0.000 1.080 157 Y CB 1.298 39.772 38.460 0.023 0.000 1.284 157 Y HN 0.253 nan 8.280 nan 0.000 0.485 158 V N 1.695 121.681 119.914 0.120 0.000 2.532 158 V HA 0.299 4.420 4.120 0.002 0.000 0.295 158 V C -0.256 175.873 176.094 0.057 0.000 1.041 158 V CA -1.397 60.924 62.300 0.035 0.000 0.926 158 V CB 1.529 33.395 31.823 0.072 0.000 0.992 158 V HN 0.567 nan 8.190 nan 0.000 0.457 159 K N 2.566 122.973 120.400 0.013 0.000 2.316 159 K HA 0.149 4.471 4.320 0.002 0.000 0.289 159 K C -0.409 176.179 176.600 -0.020 0.000 1.070 159 K CA -0.482 55.801 56.287 -0.006 0.000 0.928 159 K CB 0.396 32.881 32.500 -0.026 0.000 1.039 159 K HN 0.691 nan 8.250 nan 0.000 0.480 160 D N 5.032 125.415 120.400 -0.028 0.000 2.367 160 D HA -0.007 4.634 4.640 0.002 0.000 0.255 160 D C -0.760 175.492 176.300 -0.079 0.000 1.300 160 D CA 0.415 54.385 54.000 -0.050 0.000 0.959 160 D CB 0.195 40.967 40.800 -0.046 0.000 1.064 160 D HN 0.577 nan 8.370 nan 0.000 0.509 161 E N 1.720 121.859 120.200 -0.102 0.000 2.423 161 E HA 0.363 4.714 4.350 0.002 0.000 0.280 161 E C -0.776 175.718 176.600 -0.177 0.000 1.030 161 E CA -1.006 55.319 56.400 -0.126 0.000 0.812 161 E CB 0.616 30.259 29.700 -0.095 0.000 1.313 161 E HN 0.111 nan 8.360 nan 0.000 0.456 162 L N 1.215 122.310 121.223 -0.212 0.000 2.453 162 L HA 0.436 4.777 4.340 0.002 0.000 0.272 162 L C 0.151 176.928 176.870 -0.155 0.000 1.182 162 L CA -0.023 54.658 54.840 -0.265 0.000 0.858 162 L CB 0.214 42.111 42.059 -0.270 0.000 1.120 162 L HN 0.510 nan 8.230 nan 0.000 0.474 163 R N 1.114 121.532 120.500 -0.137 0.000 2.698 163 R HA 0.338 4.679 4.340 0.002 0.000 0.275 163 R C -0.490 175.782 176.300 -0.047 0.000 1.001 163 R CA -0.420 55.634 56.100 -0.077 0.000 0.896 163 R CB 1.914 32.174 30.300 -0.067 0.000 1.218 163 R HN 0.726 nan 8.270 nan 0.000 0.462 164 S N 1.646 117.333 115.700 -0.021 0.000 2.598 164 S HA 0.010 4.481 4.470 0.002 0.000 0.256 164 S C 1.045 175.651 174.600 0.009 0.000 1.350 164 S CA 0.195 58.397 58.200 0.002 0.000 0.984 164 S CB 0.688 63.893 63.200 0.008 0.000 0.930 164 S HN 0.749 nan 8.310 nan 0.000 0.577 165 K N 0.184 120.599 120.400 0.024 0.000 1.984 165 K HA -0.139 4.182 4.320 0.002 0.000 0.209 165 K C 2.244 178.857 176.600 0.022 0.000 1.046 165 K CA 1.951 58.256 56.287 0.029 0.000 0.934 165 K CB -1.338 31.186 32.500 0.040 0.000 0.717 165 K HN 0.909 nan 8.250 nan 0.000 0.438 166 T N -0.757 113.811 114.554 0.023 0.000 2.869 166 T HA -0.113 4.238 4.350 0.002 0.000 0.270 166 T C 1.460 176.172 174.700 0.020 0.000 1.082 166 T CA 1.345 63.458 62.100 0.022 0.000 1.123 166 T CB -0.140 68.741 68.868 0.022 0.000 0.856 166 T HN 0.315 nan 8.240 nan 0.000 0.499 167 K N 0.297 120.706 120.400 0.015 0.000 2.374 167 K HA 0.287 4.608 4.320 0.002 0.000 0.196 167 K C 1.800 178.410 176.600 0.017 0.000 1.023 167 K CA 0.062 56.358 56.287 0.015 0.000 1.103 167 K CB 0.445 32.948 32.500 0.005 0.000 0.848 167 K HN 0.260 nan 8.250 nan 0.000 0.528 168 V N 1.404 121.324 119.914 0.009 0.000 2.426 168 V HA -0.137 3.984 4.120 0.002 0.000 0.242 168 V C 1.842 177.939 176.094 0.005 0.000 1.036 168 V CA 1.449 63.749 62.300 -0.001 0.000 1.044 168 V CB -0.215 31.603 31.823 -0.009 0.000 0.688 168 V HN 0.257 nan 8.190 nan 0.000 0.462 169 E N 0.142 120.350 120.200 0.014 0.000 2.031 169 E HA -0.218 4.133 4.350 0.002 0.000 0.193 169 E C 2.073 178.692 176.600 0.031 0.000 0.994 169 E CA 1.111 57.522 56.400 0.018 0.000 0.800 169 E CB -0.186 29.527 29.700 0.022 0.000 0.752 169 E HN 0.477 nan 8.360 nan 0.000 0.447 170 Q N -0.249 119.573 119.800 0.036 0.000 2.515 170 Q HA -0.011 4.330 4.340 0.002 0.000 0.212 170 Q C 1.079 177.123 176.000 0.074 0.000 0.970 170 Q CA 0.865 56.696 55.803 0.047 0.000 0.941 170 Q CB 0.338 29.097 28.738 0.036 0.000 0.998 170 Q HN 0.495 nan 8.270 nan 0.000 0.518 171 G N 1.719 110.573 108.800 0.089 0.000 2.212 171 G HA2 -0.340 3.621 3.960 0.002 0.000 0.267 171 G HA3 -0.340 3.621 3.960 0.002 0.000 0.267 171 G C 0.247 175.271 174.900 0.206 0.000 1.002 171 G CA 0.624 45.837 45.100 0.189 0.000 0.729 171 G HN 0.366 nan 8.290 nan 0.000 0.517 172 K N 1.288 121.744 120.400 0.092 0.000 3.216 172 K HA 0.297 4.618 4.320 0.002 0.000 0.277 172 K C 0.876 177.490 176.600 0.023 0.000 1.246 172 K CA 0.015 56.322 56.287 0.033 0.000 1.227 172 K CB 0.104 32.608 32.500 0.007 0.000 1.487 172 K HN 0.357 nan 8.250 nan 0.000 0.341 173 S N 0.958 116.707 115.700 0.081 0.000 2.589 173 S HA 0.142 4.613 4.470 0.002 0.000 0.265 173 S C 0.460 175.028 174.600 -0.053 0.000 1.342 173 S CA -0.354 57.872 58.200 0.044 0.000 1.005 173 S CB 0.906 64.199 63.200 0.155 0.000 0.909 173 S HN 0.381 nan 8.310 nan 0.000 0.555 174 R N 0.651 121.115 120.500 -0.061 0.000 2.540 174 R HA 0.508 4.850 4.340 0.002 0.000 0.287 174 R C -0.779 175.453 176.300 -0.113 0.000 0.980 174 R CA -0.535 55.508 56.100 -0.095 0.000 0.966 174 R CB 0.667 30.926 30.300 -0.069 0.000 1.106 174 R HN 0.511 nan 8.270 nan 0.000 0.480 175 L N 3.900 125.034 121.223 -0.149 0.000 2.331 175 L HA 0.539 4.880 4.340 0.002 0.000 0.275 175 L C -0.336 176.499 176.870 -0.059 0.000 1.022 175 L CA -0.759 53.986 54.840 -0.158 0.000 0.812 175 L CB 1.658 43.555 42.059 -0.270 0.000 1.257 175 L HN 0.487 nan 8.230 nan 0.000 0.435 176 I N 2.352 122.917 120.570 -0.008 0.000 2.465 176 I HA 0.219 4.391 4.170 0.002 0.000 0.291 176 I C -0.629 175.554 176.117 0.110 0.000 1.014 176 I CA -0.630 60.709 61.300 0.065 0.000 1.093 176 I CB 2.128 40.188 38.000 0.100 0.000 1.267 176 I HN 0.473 nan 8.210 nan 0.000 0.431 177 E N 6.154 126.429 120.200 0.125 0.000 2.103 177 E HA 0.327 4.678 4.350 0.002 0.000 0.254 177 E C -0.265 176.406 176.600 0.118 0.000 0.940 177 E CA -0.584 55.904 56.400 0.146 0.000 0.771 177 E CB 1.493 31.310 29.700 0.195 0.000 1.153 177 E HN 0.578 nan 8.360 nan 0.000 0.428 178 A N 2.875 125.787 122.820 0.155 0.000 2.535 178 A HA 0.061 4.382 4.320 0.002 0.000 0.290 178 A C 0.854 178.492 177.584 0.091 0.000 1.270 178 A CA 0.083 52.219 52.037 0.166 0.000 0.937 178 A CB -0.269 18.919 19.000 0.313 0.000 1.096 178 A HN 0.404 nan 8.150 nan 0.000 0.534 179 S N 2.941 118.683 115.700 0.069 0.000 2.568 179 S HA 0.246 4.717 4.470 0.002 0.000 0.282 179 S C 0.781 175.423 174.600 0.071 0.000 1.338 179 S CA 0.255 58.485 58.200 0.050 0.000 1.045 179 S CB 0.416 63.651 63.200 0.057 0.000 0.873 179 S HN 1.172 nan 8.310 nan 0.000 0.516 180 S N 3.106 118.847 115.700 0.069 0.000 2.585 180 S HA 0.178 4.649 4.470 0.002 0.000 0.273 180 S C 1.213 175.884 174.600 0.119 0.000 1.339 180 S CA -0.720 57.547 58.200 0.111 0.000 1.028 180 S CB 0.535 63.796 63.200 0.102 0.000 0.906 180 S HN 0.773 nan 8.310 nan 0.000 0.528 181 L N 4.462 125.778 121.223 0.155 0.000 1.990 181 L HA -0.099 4.242 4.340 0.002 0.000 0.213 181 L C 1.892 178.819 176.870 0.094 0.000 1.072 181 L CA 2.124 57.010 54.840 0.076 0.000 0.755 181 L CB -1.551 40.480 42.059 -0.047 0.000 0.889 181 L HN 0.772 nan 8.230 nan 0.000 0.432 182 N N -0.037 118.762 118.700 0.166 0.000 2.104 182 N HA -0.193 4.548 4.740 0.002 0.000 0.190 182 N C 1.608 177.191 175.510 0.122 0.000 1.024 182 N CA 1.685 54.825 53.050 0.149 0.000 0.853 182 N CB -0.427 38.169 38.487 0.181 0.000 1.008 182 N HN 0.456 nan 8.380 nan 0.000 0.424 183 D N -0.293 120.176 120.400 0.116 0.000 2.123 183 D HA 0.006 4.647 4.640 0.002 0.000 0.200 183 D C 1.777 178.164 176.300 0.145 0.000 0.976 183 D CA 0.731 54.808 54.000 0.129 0.000 0.831 183 D CB -0.114 40.742 40.800 0.095 0.000 0.974 183 D HN 0.136 nan 8.370 nan 0.000 0.469 184 S N 0.278 116.045 115.700 0.112 0.000 2.370 184 S HA -0.116 4.355 4.470 0.002 0.000 0.226 184 S C 2.340 176.998 174.600 0.097 0.000 1.033 184 S CA 0.570 58.833 58.200 0.105 0.000 1.011 184 S CB -0.238 63.001 63.200 0.065 0.000 0.852 184 S HN 0.084 nan 8.310 nan 0.000 0.457 185 V N 1.945 121.901 119.914 0.070 0.000 2.295 185 V HA -0.206 3.915 4.120 0.002 0.000 0.246 185 V C 2.656 178.788 176.094 0.063 0.000 1.049 185 V CA 1.732 64.060 62.300 0.047 0.000 1.024 185 V CB -1.208 30.630 31.823 0.025 0.000 0.648 185 V HN 0.549 nan 8.190 nan 0.000 0.447 186 A N -0.729 122.153 122.820 0.103 0.000 1.902 186 A HA -0.217 4.104 4.320 0.002 0.000 0.217 186 A C 2.232 179.829 177.584 0.023 0.000 1.181 186 A CA 1.948 54.053 52.037 0.115 0.000 0.623 186 A CB -0.469 18.692 19.000 0.269 0.000 0.818 186 A HN 0.397 nan 8.150 nan 0.000 0.443 187 M N -0.624 119.056 119.600 0.133 0.000 2.117 187 M HA -0.115 4.366 4.480 0.002 0.000 0.262 187 M C 2.186 178.557 176.300 0.119 0.000 1.065 187 M CA 1.596 57.010 55.300 0.189 0.000 1.114 187 M CB -1.076 31.734 32.600 0.351 0.000 1.361 187 M HN 0.414 nan 8.290 nan 0.000 0.408 188 R N -0.834 119.731 120.500 0.108 0.000 2.115 188 R HA 0.043 4.384 4.340 0.002 0.000 0.226 188 R C 2.240 178.505 176.300 -0.059 0.000 1.100 188 R CA 0.946 57.082 56.100 0.059 0.000 0.980 188 R CB -0.174 30.197 30.300 0.119 0.000 0.875 188 R HN 0.346 nan 8.270 nan 0.000 0.445 189 M N -0.144 119.413 119.600 -0.071 0.000 2.159 189 M HA -0.114 4.367 4.480 0.002 0.000 0.263 189 M C 2.356 178.525 176.300 -0.219 0.000 1.063 189 M CA 1.695 56.929 55.300 -0.109 0.000 1.110 189 M CB -0.209 32.346 32.600 -0.075 0.000 1.374 189 M HN 0.270 nan 8.290 nan 0.000 0.411 190 A N -0.562 122.025 122.820 -0.389 0.000 1.898 190 A HA -0.039 4.282 4.320 0.002 0.000 0.214 190 A C 1.311 178.515 177.584 -0.634 0.000 1.183 190 A CA 1.228 52.844 52.037 -0.701 0.000 0.622 190 A CB -0.331 17.869 19.000 -1.333 0.000 0.824 190 A HN 0.469 nan 8.150 nan 0.000 0.444 191 F N -0.865 118.949 119.950 -0.226 0.000 2.688 191 F HA 0.289 4.817 4.527 0.002 0.000 0.310 191 F C 2.131 177.477 175.800 -0.755 0.000 1.098 191 F CA -0.321 57.428 58.000 -0.418 0.000 1.228 191 F CB -0.271 38.402 39.000 -0.546 0.000 1.042 191 F HN 0.212 nan 8.300 nan 0.000 0.557 192 G N 0.731 109.323 108.800 -0.348 0.000 2.469 192 G HA2 -0.288 3.673 3.960 0.002 0.000 0.219 192 G HA3 -0.288 3.673 3.960 0.002 0.000 0.219 192 G C 1.688 176.532 174.900 -0.093 0.000 1.150 192 G CA 1.048 46.008 45.100 -0.235 0.000 0.763 192 G HN 0.227 nan 8.290 nan 0.000 0.561 193 N N 0.059 118.761 118.700 0.003 0.000 2.381 193 N HA -0.043 4.698 4.740 0.002 0.000 0.182 193 N C 2.008 177.609 175.510 0.152 0.000 1.025 193 N CA 0.692 53.795 53.050 0.088 0.000 0.888 193 N CB -0.098 38.447 38.487 0.097 0.000 0.965 193 N HN 0.331 nan 8.380 nan 0.000 0.438 194 L N 0.230 121.539 121.223 0.144 0.000 2.044 194 L HA -0.045 4.296 4.340 0.002 0.000 0.205 194 L C 1.741 178.654 176.870 0.072 0.000 1.075 194 L CA 1.456 56.345 54.840 0.081 0.000 0.747 194 L CB -0.788 41.129 42.059 -0.236 0.000 0.903 194 L HN -0.019 nan 8.230 nan 0.000 0.435 195 Y N 0.310 120.526 120.300 -0.139 0.000 2.207 195 Y HA -0.121 4.430 4.550 0.002 0.000 0.287 195 Y C 2.664 178.264 175.900 -0.500 0.000 1.156 195 Y CA 0.622 58.479 58.100 -0.406 0.000 1.182 195 Y CB -1.778 36.476 38.460 -0.344 0.000 0.979 195 Y HN 0.316 nan 8.280 nan 0.000 0.521 196 A N 0.389 123.196 122.820 -0.021 0.000 1.865 196 A HA -0.137 4.184 4.320 0.002 0.000 0.217 196 A C 2.597 180.207 177.584 0.043 0.000 1.191 196 A CA 2.316 54.371 52.037 0.030 0.000 0.623 196 A CB -1.322 17.725 19.000 0.079 0.000 0.826 196 A HN 0.387 nan 8.150 nan 0.000 0.444 197 A N -1.153 121.713 122.820 0.077 0.000 1.873 197 A HA -0.127 4.194 4.320 0.002 0.000 0.218 197 A C 1.995 179.615 177.584 0.059 0.000 1.193 197 A CA 1.848 53.929 52.037 0.073 0.000 0.629 197 A CB -0.902 18.153 19.000 0.093 0.000 0.826 197 A HN 0.478 nan 8.150 nan 0.000 0.447 198 F N -0.197 119.697 119.950 -0.094 0.000 2.126 198 F HA -0.188 4.340 4.527 0.002 0.000 0.299 198 F C 2.399 178.191 175.800 -0.013 0.000 1.096 198 F CA 2.061 60.012 58.000 -0.081 0.000 1.255 198 F CB -0.694 38.227 39.000 -0.132 0.000 0.997 198 F HN 0.432 nan 8.300 nan 0.000 0.479 199 H N -0.952 118.215 119.070 0.161 0.000 2.423 199 H HA -0.071 4.486 4.556 0.002 0.000 0.297 199 H C 1.849 177.197 175.328 0.034 0.000 1.075 199 H CA 0.919 57.004 56.048 0.062 0.000 1.342 199 H CB -0.047 29.744 29.762 0.049 0.000 1.395 199 H HN 0.173 nan 8.280 nan 0.000 0.530 200 K N 0.483 120.973 120.400 0.151 0.000 2.432 200 K HA 0.020 4.341 4.320 0.002 0.000 0.196 200 K C 0.117 176.750 176.600 0.054 0.000 1.038 200 K CA 0.372 56.712 56.287 0.089 0.000 0.986 200 K CB 0.399 32.941 32.500 0.069 0.000 0.782 200 K HN 0.347 nan 8.250 nan 0.000 0.485 201 N N 1.569 120.288 118.700 0.032 0.000 2.679 201 N HA 0.154 4.895 4.740 0.002 0.000 0.302 201 N C -2.832 172.679 175.510 0.002 0.000 1.941 201 N CA -0.937 52.112 53.050 -0.001 0.000 0.875 201 N CB 1.336 39.783 38.487 -0.066 0.000 1.278 201 N HN 0.065 nan 8.380 nan 0.000 0.490 202 P HA 0.261 nan 4.420 nan 0.000 0.268 202 P C 0.520 177.952 177.300 0.220 0.000 1.205 202 P CA 0.704 63.831 63.100 0.044 0.000 0.771 202 P CB 1.395 33.002 31.700 -0.155 0.000 0.858 203 G N 0.572 109.544 108.800 0.286 0.000 2.339 203 G HA2 0.104 4.065 3.960 0.002 0.000 0.275 203 G HA3 0.104 4.065 3.960 0.002 0.000 0.275 203 G C 0.123 175.117 174.900 0.158 0.000 1.323 203 G CA -0.164 45.105 45.100 0.282 0.000 0.927 203 G HN 0.366 nan 8.290 nan 0.000 0.486 204 V N -0.968 119.002 119.914 0.094 0.000 3.647 204 V HA 0.452 4.573 4.120 0.002 0.000 0.279 204 V C 2.018 178.142 176.094 0.051 0.000 1.314 204 V CA 1.033 63.371 62.300 0.063 0.000 1.125 204 V CB -0.490 31.357 31.823 0.039 0.000 0.907 204 V HN 0.583 nan 8.190 nan 0.000 0.434 205 I N 2.019 122.603 120.570 0.023 0.000 2.364 205 I HA -0.088 4.083 4.170 0.002 0.000 0.241 205 I C 2.849 178.937 176.117 -0.048 0.000 1.082 205 I CA 1.709 62.999 61.300 -0.017 0.000 1.401 205 I CB -0.494 37.477 38.000 -0.048 0.000 1.126 205 I HN 0.414 nan 8.210 nan 0.000 0.429 206 T N -0.923 113.544 114.554 -0.144 0.000 2.915 206 T HA -0.018 4.333 4.350 0.002 0.000 0.269 206 T C 1.655 176.405 174.700 0.083 0.000 1.071 206 T CA 0.682 62.602 62.100 -0.299 0.000 1.132 206 T CB -0.704 67.768 68.868 -0.661 0.000 0.878 206 T HN 0.570 nan 8.240 nan 0.000 0.479 207 G N 0.884 109.747 108.800 0.104 0.000 2.273 207 G HA2 -0.172 3.789 3.960 0.002 0.000 0.280 207 G HA3 -0.172 3.789 3.960 0.002 0.000 0.280 207 G C 0.032 175.021 174.900 0.149 0.000 1.047 207 G CA 0.522 45.699 45.100 0.127 0.000 0.869 207 G HN 1.293 nan 8.290 nan 0.000 0.502 208 S N -1.584 114.213 115.700 0.163 0.000 2.546 208 S HA 0.813 5.284 4.470 0.002 0.000 0.274 208 S C 0.704 175.388 174.600 0.141 0.000 1.121 208 S CA 0.335 58.637 58.200 0.170 0.000 0.887 208 S CB 1.847 65.208 63.200 0.269 0.000 1.094 208 S HN 1.669 nan 8.310 nan 0.000 0.474 209 A N 2.906 125.805 122.820 0.131 0.000 2.308 209 A HA 0.453 4.774 4.320 0.002 0.000 0.217 209 A C 0.456 177.966 177.584 -0.123 0.000 1.216 209 A CA -0.002 52.086 52.037 0.085 0.000 0.864 209 A CB -0.263 18.999 19.000 0.437 0.000 0.902 209 A HN 0.791 nan 8.150 nan 0.000 0.499 210 V N 0.516 120.227 119.914 -0.338 0.000 2.599 210 V HA 0.384 4.505 4.120 0.002 0.000 0.300 210 V C 1.608 177.641 176.094 -0.101 0.000 1.034 210 V CA 1.508 63.572 62.300 -0.395 0.000 1.115 210 V CB 0.233 31.820 31.823 -0.394 0.000 0.934 210 V HN 1.097 nan 8.190 nan 0.000 0.485 211 G N 3.085 111.828 108.800 -0.096 0.000 2.175 211 G HA2 -0.247 3.714 3.960 0.002 0.000 0.244 211 G HA3 -0.247 3.714 3.960 0.002 0.000 0.244 211 G C 0.376 175.211 174.900 -0.108 0.000 0.982 211 G CA -0.006 45.042 45.100 -0.086 0.000 0.641 211 G HN 1.333 nan 8.290 nan 0.000 0.527 212 C N 0.111 119.305 119.300 -0.177 0.000 2.459 212 C HA 0.750 5.211 4.460 0.002 0.000 0.374 212 C C 0.246 175.171 174.990 -0.108 0.000 1.241 212 C CA -0.722 58.121 59.018 -0.292 0.000 2.352 212 C CB 1.682 28.898 27.740 -0.872 0.000 2.490 212 C HN 0.444 nan 8.230 nan 0.000 0.583 213 D N 3.237 123.623 120.400 -0.023 0.000 2.454 213 D HA 0.389 5.030 4.640 0.002 0.000 0.225 213 D C -1.468 174.891 176.300 0.099 0.000 1.081 213 D CA -2.138 51.872 54.000 0.017 0.000 0.864 213 D CB 1.294 42.106 40.800 0.020 0.000 1.040 213 D HN 0.337 nan 8.370 nan 0.000 0.517 214 P HA -0.187 nan 4.420 nan 0.000 0.217 214 P C 0.785 178.057 177.300 -0.048 0.000 1.162 214 P CA 1.101 64.134 63.100 -0.112 0.000 0.901 214 P CB 0.267 31.613 31.700 -0.591 0.000 0.793 215 D N -1.363 119.007 120.400 -0.050 0.000 2.239 215 D HA -0.152 4.489 4.640 0.002 0.000 0.202 215 D C 1.825 178.300 176.300 0.291 0.000 0.993 215 D CA 1.119 55.207 54.000 0.148 0.000 0.874 215 D CB -0.266 40.683 40.800 0.247 0.000 0.922 215 D HN 0.279 nan 8.370 nan 0.000 0.464 216 L N -1.606 119.735 121.223 0.198 0.000 2.445 216 L HA 0.078 4.419 4.340 0.002 0.000 0.207 216 L C 2.003 179.124 176.870 0.418 0.000 1.053 216 L CA -0.138 54.798 54.840 0.161 0.000 0.841 216 L CB -0.056 42.008 42.059 0.008 0.000 1.074 216 L HN -0.142 nan 8.230 nan 0.000 0.479 217 F N 0.179 120.310 119.950 0.301 0.000 2.171 217 F HA -0.220 4.308 4.527 0.002 0.000 0.300 217 F C 2.234 178.333 175.800 0.498 0.000 1.090 217 F CA 1.519 59.743 58.000 0.374 0.000 1.293 217 F CB -0.257 38.990 39.000 0.411 0.000 1.013 217 F HN 0.095 nan 8.300 nan 0.000 0.486 218 W N 0.080 121.527 121.300 0.246 0.000 2.321 218 W HA -0.268 4.393 4.660 0.002 0.000 0.306 218 W C 2.426 179.016 176.519 0.119 0.000 1.217 218 W CA 1.352 58.804 57.345 0.178 0.000 1.257 218 W CB -0.581 28.933 29.460 0.090 0.000 1.145 218 W HN -0.077 nan 8.180 nan 0.000 0.509 219 S N -0.451 115.462 115.700 0.355 0.000 2.515 219 S HA -0.104 4.367 4.470 0.002 0.000 0.231 219 S C 1.515 176.135 174.600 0.033 0.000 0.987 219 S CA 0.850 59.143 58.200 0.155 0.000 0.936 219 S CB -0.152 63.111 63.200 0.106 0.000 0.766 219 S HN 0.243 nan 8.310 nan 0.000 0.528 220 K N 0.622 121.012 120.400 -0.017 0.000 2.323 220 K HA 0.245 4.566 4.320 0.002 0.000 0.197 220 K C 1.694 178.151 176.600 -0.240 0.000 1.043 220 K CA 0.254 56.464 56.287 -0.129 0.000 0.997 220 K CB 0.047 32.440 32.500 -0.179 0.000 0.807 220 K HN 0.305 nan 8.250 nan 0.000 0.497 221 I N 1.438 121.821 120.570 -0.311 0.000 2.163 221 I HA -0.166 4.005 4.170 0.002 0.000 0.240 221 I C -1.029 174.992 176.117 -0.160 0.000 1.081 221 I CA 1.021 62.138 61.300 -0.305 0.000 1.353 221 I CB -0.864 36.950 38.000 -0.310 0.000 1.054 221 I HN 0.028 nan 8.210 nan 0.000 0.407 222 P HA -0.101 nan 4.420 nan 0.000 0.220 222 P C 1.829 179.095 177.300 -0.056 0.000 1.148 222 P CA 1.021 64.001 63.100 -0.199 0.000 0.803 222 P CB 0.040 31.296 31.700 -0.739 0.000 0.782 223 V N -0.915 118.942 119.914 -0.095 0.000 2.515 223 V HA -0.170 3.952 4.120 0.002 0.000 0.250 223 V C 2.195 178.269 176.094 -0.034 0.000 1.058 223 V CA 1.530 63.796 62.300 -0.057 0.000 1.064 223 V CB -0.947 30.838 31.823 -0.063 0.000 0.675 223 V HN 0.116 nan 8.190 nan 0.000 0.461 224 L N -1.436 119.759 121.223 -0.046 0.000 2.307 224 L HA 0.114 4.455 4.340 0.002 0.000 0.211 224 L C 1.248 178.109 176.870 -0.015 0.000 1.099 224 L CA 0.191 55.011 54.840 -0.033 0.000 0.816 224 L CB -0.214 41.809 42.059 -0.059 0.000 0.952 224 L HN 0.264 nan 8.230 nan 0.000 0.455 225 M N 0.263 119.862 119.600 -0.001 0.000 2.198 225 M HA 0.109 4.590 4.480 0.002 0.000 0.315 225 M C 0.419 176.719 176.300 0.001 0.000 1.134 225 M CA 0.398 55.692 55.300 -0.010 0.000 1.171 225 M CB 0.295 32.886 32.600 -0.016 0.000 1.413 225 M HN -0.036 nan 8.290 nan 0.000 0.467 226 E N 1.116 121.302 120.200 -0.024 0.000 2.314 226 E HA 0.085 4.436 4.350 0.002 0.000 0.262 226 E C 0.971 177.531 176.600 -0.066 0.000 1.093 226 E CA -0.395 55.975 56.400 -0.051 0.000 0.908 226 E CB 0.546 30.201 29.700 -0.076 0.000 1.091 226 E HN 0.418 nan 8.360 nan 0.000 0.425 227 E N 0.789 120.935 120.200 -0.090 0.000 2.233 227 E HA -0.207 4.144 4.350 0.002 0.000 0.210 227 E C -0.055 176.491 176.600 -0.090 0.000 1.046 227 E CA 1.607 57.963 56.400 -0.073 0.000 0.844 227 E CB 0.090 29.722 29.700 -0.114 0.000 0.741 227 E HN 0.235 nan 8.360 nan 0.000 0.465 228 K N 0.308 120.645 120.400 -0.104 0.000 2.426 228 K HA 0.448 4.769 4.320 0.002 0.000 0.254 228 K C 0.012 176.575 176.600 -0.062 0.000 0.936 228 K CA -0.411 55.825 56.287 -0.085 0.000 0.801 228 K CB 2.099 34.580 32.500 -0.031 0.000 1.139 228 K HN -0.080 nan 8.250 nan 0.000 0.424 229 L N 3.215 124.342 121.223 -0.159 0.000 2.344 229 L HA 0.636 4.977 4.340 0.002 0.000 0.272 229 L C -0.199 176.692 176.870 0.035 0.000 1.035 229 L CA -1.086 53.625 54.840 -0.215 0.000 0.807 229 L CB 0.588 42.316 42.059 -0.551 0.000 1.237 229 L HN 0.591 nan 8.230 nan 0.000 0.442 230 F N 0.114 119.953 119.950 -0.185 0.000 2.711 230 F HA 0.955 5.483 4.527 0.002 0.000 0.313 230 F C -0.798 174.945 175.800 -0.095 0.000 1.141 230 F CA -0.992 56.951 58.000 -0.095 0.000 0.941 230 F CB 1.544 40.527 39.000 -0.028 0.000 1.349 230 F HN 0.612 nan 8.300 nan 0.000 0.464 231 A N 1.046 123.907 122.820 0.068 0.000 2.489 231 A HA 0.777 5.098 4.320 0.002 0.000 0.293 231 A C -1.985 175.656 177.584 0.094 0.000 1.004 231 A CA -0.321 51.628 52.037 -0.147 0.000 0.626 231 A CB 0.730 19.547 19.000 -0.306 0.000 1.345 231 A HN 2.036 nan 8.150 nan 0.000 0.447 232 F N -1.323 118.549 119.950 -0.130 0.000 2.858 232 F HA 0.774 5.301 4.527 0.002 0.000 0.319 232 F C -1.154 174.531 175.800 -0.192 0.000 1.166 232 F CA -0.973 56.927 58.000 -0.166 0.000 0.899 232 F CB 0.261 39.193 39.000 -0.112 0.000 1.332 232 F HN 0.441 nan 8.300 nan 0.000 0.461 233 D N -0.361 120.030 120.400 -0.015 0.000 2.437 233 D HA 0.482 5.123 4.640 0.002 0.000 0.259 233 D C -1.354 174.963 176.300 0.028 0.000 1.118 233 D CA 0.019 54.003 54.000 -0.027 0.000 1.017 233 D CB 0.948 41.751 40.800 0.005 0.000 1.120 233 D HN 0.520 nan 8.370 nan 0.000 0.541 234 Y N -1.035 119.361 120.300 0.159 0.000 2.570 234 Y HA 0.423 4.974 4.550 0.002 0.000 0.345 234 Y C 0.224 176.205 175.900 0.135 0.000 1.014 234 Y CA -0.813 57.413 58.100 0.210 0.000 1.063 234 Y CB 2.008 40.644 38.460 0.293 0.000 1.272 234 Y HN 0.001 nan 8.280 nan 0.000 0.477 235 T N 1.335 116.066 114.554 0.295 0.000 2.758 235 T HA 0.454 4.805 4.350 0.002 0.000 0.285 235 T C 0.448 175.250 174.700 0.170 0.000 0.981 235 T CA -0.287 61.922 62.100 0.182 0.000 0.965 235 T CB 0.780 69.725 68.868 0.129 0.000 0.927 235 T HN 1.073 nan 8.240 nan 0.000 0.448 236 G N 2.355 111.232 108.800 0.129 0.000 2.350 236 G HA2 -0.335 3.626 3.960 0.002 0.000 0.298 236 G HA3 -0.335 3.626 3.960 0.002 0.000 0.298 236 G C 0.474 175.443 174.900 0.114 0.000 1.037 236 G CA 0.652 45.807 45.100 0.091 0.000 1.074 236 G HN 0.915 nan 8.290 nan 0.000 0.511 237 Y N 0.271 120.566 120.300 -0.007 0.000 2.040 237 Y HA -0.280 4.271 4.550 0.002 0.000 0.275 237 Y C 2.418 178.254 175.900 -0.107 0.000 1.171 237 Y CA 2.539 60.560 58.100 -0.132 0.000 1.123 237 Y CB -0.056 38.237 38.460 -0.278 0.000 0.963 237 Y HN 0.422 nan 8.280 nan 0.000 0.493 238 D N 0.081 120.546 120.400 0.108 0.000 2.108 238 D HA -0.270 4.371 4.640 0.002 0.000 0.190 238 D C 2.305 178.622 176.300 0.027 0.000 0.995 238 D CA 1.941 55.978 54.000 0.062 0.000 0.834 238 D CB -0.847 40.027 40.800 0.123 0.000 0.967 238 D HN 0.502 nan 8.370 nan 0.000 0.446 239 A N 0.629 123.470 122.820 0.034 0.000 2.024 239 A HA -0.168 4.153 4.320 0.002 0.000 0.220 239 A C 2.149 179.771 177.584 0.064 0.000 1.164 239 A CA 2.296 54.361 52.037 0.045 0.000 0.643 239 A CB -0.452 18.542 19.000 -0.010 0.000 0.806 239 A HN 0.339 nan 8.150 nan 0.000 0.451 240 S N -0.858 114.855 115.700 0.021 0.000 2.593 240 S HA 0.318 4.789 4.470 0.002 0.000 0.217 240 S C 0.397 175.009 174.600 0.020 0.000 0.966 240 S CA -0.376 57.846 58.200 0.037 0.000 0.914 240 S CB -0.383 62.841 63.200 0.041 0.000 0.776 240 S HN 0.347 nan 8.310 nan 0.000 0.523 241 L N 4.048 125.253 121.223 -0.029 0.000 2.456 241 L HA 0.239 4.580 4.340 0.002 0.000 0.277 241 L C 0.652 177.664 176.870 0.237 0.000 1.124 241 L CA -0.324 54.502 54.840 -0.022 0.000 0.880 241 L CB 0.273 42.179 42.059 -0.255 0.000 1.192 241 L HN 0.420 nan 8.230 nan 0.000 0.463 242 S N 3.559 119.452 115.700 0.322 0.000 2.632 242 S HA 0.337 4.808 4.470 0.002 0.000 0.271 242 S C -1.800 172.963 174.600 0.272 0.000 1.260 242 S CA -1.352 57.007 58.200 0.265 0.000 1.010 242 S CB 1.422 64.740 63.200 0.196 0.000 0.965 242 S HN 0.348 nan 8.310 nan 0.000 0.534 243 P HA -0.153 nan 4.420 nan 0.000 0.217 243 P C 1.545 178.930 177.300 0.143 0.000 1.148 243 P CA 2.017 65.267 63.100 0.249 0.000 0.834 243 P CB -0.254 31.521 31.700 0.125 0.000 0.783 244 A N -1.576 121.221 122.820 -0.038 0.000 1.908 244 A HA -0.192 4.129 4.320 0.002 0.000 0.218 244 A C 2.089 179.554 177.584 -0.198 0.000 1.181 244 A CA 1.587 53.510 52.037 -0.191 0.000 0.627 244 A CB -1.883 16.885 19.000 -0.386 0.000 0.818 244 A HN 0.247 nan 8.150 nan 0.000 0.445 245 W N -1.286 119.984 121.300 -0.051 0.000 2.338 245 W HA -0.149 4.512 4.660 0.002 0.000 0.304 245 W C 1.993 178.379 176.519 -0.222 0.000 1.212 245 W CA 0.608 57.836 57.345 -0.195 0.000 1.264 245 W CB -0.573 28.664 29.460 -0.373 0.000 1.142 245 W HN 0.348 nan 8.180 nan 0.000 0.512 246 F N 0.391 120.448 119.950 0.178 0.000 2.134 246 F HA -0.197 4.331 4.527 0.002 0.000 0.299 246 F C 2.341 178.159 175.800 0.031 0.000 1.097 246 F CA 1.811 59.853 58.000 0.070 0.000 1.264 246 F CB -1.237 37.787 39.000 0.040 0.000 1.001 246 F HN -0.177 nan 8.300 nan 0.000 0.479 247 E N 0.437 120.750 120.200 0.189 0.000 2.038 247 E HA -0.215 4.136 4.350 0.002 0.000 0.195 247 E C 2.299 178.945 176.600 0.077 0.000 1.000 247 E CA 1.496 57.953 56.400 0.094 0.000 0.803 247 E CB -0.505 29.222 29.700 0.045 0.000 0.750 247 E HN 0.244 nan 8.360 nan 0.000 0.448 248 A N 0.421 123.283 122.820 0.070 0.000 1.917 248 A HA -0.211 4.110 4.320 0.002 0.000 0.219 248 A C 2.163 179.824 177.584 0.128 0.000 1.182 248 A CA 1.686 53.785 52.037 0.103 0.000 0.633 248 A CB -0.912 18.179 19.000 0.153 0.000 0.819 248 A HN 0.374 nan 8.150 nan 0.000 0.448 249 L N -0.074 121.220 121.223 0.119 0.000 1.956 249 L HA -0.225 4.116 4.340 0.002 0.000 0.216 249 L C 2.251 179.152 176.870 0.051 0.000 1.073 249 L CA 2.689 57.576 54.840 0.078 0.000 0.762 249 L CB -0.882 41.188 42.059 0.019 0.000 0.889 249 L HN 0.412 nan 8.230 nan 0.000 0.433 250 K N -1.040 119.386 120.400 0.044 0.000 2.052 250 K HA -0.275 4.046 4.320 0.002 0.000 0.215 250 K C 2.060 178.706 176.600 0.076 0.000 1.053 250 K CA 2.545 58.864 56.287 0.053 0.000 0.934 250 K CB -0.420 32.114 32.500 0.056 0.000 0.717 250 K HN 0.390 nan 8.250 nan 0.000 0.450 251 M N 0.257 119.903 119.600 0.078 0.000 2.144 251 M HA -0.206 4.275 4.480 0.002 0.000 0.260 251 M C 2.157 178.515 176.300 0.095 0.000 1.067 251 M CA 1.391 56.741 55.300 0.082 0.000 1.095 251 M CB -0.303 32.343 32.600 0.077 0.000 1.365 251 M HN -0.005 nan 8.290 nan 0.000 0.406 252 V N 0.481 120.460 119.914 0.108 0.000 2.358 252 V HA -0.232 3.889 4.120 0.002 0.000 0.246 252 V C 2.269 178.422 176.094 0.099 0.000 1.047 252 V CA 1.500 63.864 62.300 0.107 0.000 1.035 252 V CB -0.638 31.272 31.823 0.144 0.000 0.658 252 V HN 0.462 nan 8.190 nan 0.000 0.452 253 L N -0.016 121.265 121.223 0.098 0.000 2.042 253 L HA -0.241 4.100 4.340 0.002 0.000 0.210 253 L C 2.617 179.613 176.870 0.210 0.000 1.076 253 L CA 1.942 56.867 54.840 0.141 0.000 0.749 253 L CB -0.707 41.423 42.059 0.120 0.000 0.893 253 L HN 0.420 nan 8.230 nan 0.000 0.432 254 E N 0.167 120.460 120.200 0.156 0.000 2.110 254 E HA -0.204 4.147 4.350 0.002 0.000 0.193 254 E C 2.097 178.769 176.600 0.121 0.000 0.988 254 E CA 0.976 57.459 56.400 0.138 0.000 0.804 254 E CB -0.079 29.679 29.700 0.097 0.000 0.745 254 E HN 0.435 nan 8.360 nan 0.000 0.458 255 K N 0.896 121.359 120.400 0.105 0.000 2.147 255 K HA -0.101 4.220 4.320 0.002 0.000 0.205 255 K C 2.214 178.870 176.600 0.093 0.000 1.049 255 K CA 1.360 57.698 56.287 0.084 0.000 0.936 255 K CB -0.255 32.286 32.500 0.068 0.000 0.722 255 K HN 0.386 nan 8.250 nan 0.000 0.446 256 I N -3.673 116.981 120.570 0.139 0.000 3.883 256 I HA 0.284 4.455 4.170 0.002 0.000 0.326 256 I C 0.744 177.009 176.117 0.245 0.000 1.283 256 I CA 0.373 61.776 61.300 0.172 0.000 1.161 256 I CB 0.506 38.617 38.000 0.185 0.000 1.012 256 I HN 0.183 nan 8.210 nan 0.000 0.421 257 G N 1.200 110.134 108.800 0.224 0.000 2.183 257 G HA2 -0.204 3.757 3.960 0.002 0.000 0.168 257 G HA3 -0.204 3.757 3.960 0.002 0.000 0.168 257 G C -0.006 174.881 174.900 -0.022 0.000 1.008 257 G CA -0.283 44.862 45.100 0.075 0.000 0.677 257 G HN 0.334 nan 8.290 nan 0.000 0.498 258 F N 1.806 121.800 119.950 0.074 0.000 2.708 258 F HA 0.408 4.936 4.527 0.002 0.000 0.300 258 F C 2.162 178.015 175.800 0.090 0.000 1.118 258 F CA 0.308 58.361 58.000 0.088 0.000 1.307 258 F CB 0.596 39.722 39.000 0.209 0.000 0.986 258 F HN 0.155 nan 8.300 nan 0.000 0.522 259 G N 0.561 109.473 108.800 0.186 0.000 2.475 259 G HA2 -0.313 3.648 3.960 0.002 0.000 0.220 259 G HA3 -0.313 3.648 3.960 0.002 0.000 0.220 259 G C 1.431 176.399 174.900 0.114 0.000 1.125 259 G CA 1.342 46.525 45.100 0.138 0.000 0.755 259 G HN 0.426 nan 8.290 nan 0.000 0.565 260 D N 0.692 121.140 120.400 0.079 0.000 2.378 260 D HA -0.096 4.545 4.640 0.002 0.000 0.222 260 D C 1.780 178.139 176.300 0.098 0.000 0.980 260 D CA 0.450 54.486 54.000 0.060 0.000 0.907 260 D CB -0.238 40.570 40.800 0.014 0.000 0.899 260 D HN 0.540 nan 8.370 nan 0.000 0.527 261 R N 0.801 121.389 120.500 0.147 0.000 2.659 261 R HA 0.207 4.548 4.340 0.002 0.000 0.418 261 R C 1.377 177.915 176.300 0.396 0.000 1.076 261 R CA 0.026 56.265 56.100 0.232 0.000 1.093 261 R CB -0.519 29.748 30.300 -0.056 0.000 1.400 261 R HN 0.133 nan 8.270 nan 0.000 0.583 262 V N -0.902 119.178 119.914 0.277 0.000 2.759 262 V HA -0.177 3.944 4.120 0.002 0.000 0.256 262 V C 1.661 177.824 176.094 0.114 0.000 1.080 262 V CA 1.656 64.085 62.300 0.215 0.000 1.101 262 V CB -0.471 31.428 31.823 0.127 0.000 0.698 262 V HN 0.205 nan 8.190 nan 0.000 0.477 263 D N -0.282 120.145 120.400 0.046 0.000 2.221 263 D HA -0.268 4.373 4.640 0.002 0.000 0.204 263 D C 1.956 178.056 176.300 -0.333 0.000 0.982 263 D CA 1.664 55.531 54.000 -0.223 0.000 0.857 263 D CB -0.560 40.057 40.800 -0.305 0.000 0.934 263 D HN 0.578 nan 8.370 nan 0.000 0.475 264 Y N 0.932 121.236 120.300 0.006 0.000 2.333 264 Y HA -0.139 4.412 4.550 0.002 0.000 0.290 264 Y C 2.528 178.516 175.900 0.146 0.000 1.144 264 Y CA 0.407 58.650 58.100 0.239 0.000 1.228 264 Y CB -0.018 38.716 38.460 0.456 0.000 0.985 264 Y HN -0.053 nan 8.280 nan 0.000 0.542 265 I N -0.139 120.526 120.570 0.159 0.000 2.252 265 I HA -0.255 3.916 4.170 0.002 0.000 0.245 265 I C 1.791 177.877 176.117 -0.052 0.000 1.102 265 I CA 1.303 62.601 61.300 -0.004 0.000 1.385 265 I CB -1.235 36.725 38.000 -0.066 0.000 1.064 265 I HN 0.254 nan 8.210 nan 0.000 0.414 266 D N 0.398 120.741 120.400 -0.095 0.000 2.097 266 D HA -0.222 4.419 4.640 0.002 0.000 0.195 266 D C 2.243 178.538 176.300 -0.008 0.000 0.989 266 D CA 1.335 55.273 54.000 -0.103 0.000 0.827 266 D CB -0.462 40.241 40.800 -0.161 0.000 0.966 266 D HN 0.241 nan 8.370 nan 0.000 0.456 267 Y N 1.318 121.608 120.300 -0.018 0.000 2.102 267 Y HA -0.185 4.366 4.550 0.002 0.000 0.280 267 Y C 2.639 178.522 175.900 -0.028 0.000 1.178 267 Y CA 0.392 58.474 58.100 -0.031 0.000 1.146 267 Y CB -1.082 37.328 38.460 -0.084 0.000 0.968 267 Y HN 0.001 nan 8.280 nan 0.000 0.504 268 L N -0.341 120.968 121.223 0.144 0.000 2.079 268 L HA -0.276 4.065 4.340 0.002 0.000 0.210 268 L C 1.707 178.542 176.870 -0.058 0.000 1.081 268 L CA 1.702 56.566 54.840 0.041 0.000 0.752 268 L CB -0.668 41.405 42.059 0.024 0.000 0.896 268 L HN 0.297 nan 8.230 nan 0.000 0.433 269 N N -1.790 116.833 118.700 -0.129 0.000 2.609 269 N HA -0.125 4.616 4.740 0.002 0.000 0.190 269 N C 0.413 175.943 175.510 0.033 0.000 1.157 269 N CA 0.128 53.072 53.050 -0.178 0.000 0.918 269 N CB 0.053 38.394 38.487 -0.243 0.000 0.978 269 N HN 0.334 nan 8.380 nan 0.000 0.448 270 H N 0.142 119.198 119.070 -0.023 0.000 3.092 270 H HA 0.236 4.793 4.556 0.002 0.000 0.308 270 H C -1.357 174.000 175.328 0.048 0.000 1.047 270 H CA -0.613 55.451 56.048 0.026 0.000 1.466 270 H CB 0.670 30.470 29.762 0.063 0.000 1.597 270 H HN 0.007 nan 8.280 nan 0.000 0.512 271 S N 3.689 119.342 115.700 -0.079 0.000 2.548 271 S HA 0.407 4.878 4.470 0.002 0.000 0.286 271 S C -1.223 173.312 174.600 -0.109 0.000 1.098 271 S CA -0.976 57.124 58.200 -0.166 0.000 0.930 271 S CB 2.166 65.247 63.200 -0.198 0.000 1.070 271 S HN 0.594 nan 8.310 nan 0.000 0.480 272 H N 1.525 120.256 119.070 -0.566 0.000 2.481 272 H HA 0.534 5.091 4.556 0.002 0.000 0.333 272 H C -0.385 174.508 175.328 -0.725 0.000 1.066 272 H CA -0.444 55.273 56.048 -0.552 0.000 1.209 272 H CB 0.679 30.209 29.762 -0.386 0.000 1.445 272 H HN 0.648 nan 8.280 nan 0.000 0.488 273 H N 3.077 121.754 119.070 -0.654 0.000 2.489 273 H HA 0.303 4.860 4.556 0.002 0.000 0.343 273 H C -0.219 174.865 175.328 -0.407 0.000 1.086 273 H CA -0.769 54.905 56.048 -0.624 0.000 1.198 273 H CB 2.211 31.392 29.762 -0.967 0.000 1.490 273 H HN 0.363 nan 8.280 nan 0.000 0.504 274 L N 3.960 125.114 121.223 -0.117 0.000 2.260 274 L HA 0.105 4.446 4.340 0.002 0.000 0.289 274 L C -0.774 176.214 176.870 0.197 0.000 1.057 274 L CA -0.567 54.279 54.840 0.010 0.000 0.811 274 L CB 0.306 42.293 42.059 -0.119 0.000 1.184 274 L HN 0.523 nan 8.230 nan 0.000 0.429 275 Y N 5.751 126.149 120.300 0.163 0.000 2.575 275 Y HA 0.298 4.849 4.550 0.002 0.000 0.326 275 Y C 0.469 176.421 175.900 0.087 0.000 0.979 275 Y CA -1.245 56.943 58.100 0.148 0.000 1.286 275 Y CB 0.080 38.716 38.460 0.293 0.000 1.093 275 Y HN 0.663 nan 8.280 nan 0.000 0.501 276 K N 1.998 122.443 120.400 0.075 0.000 6.001 276 K HA -0.386 3.935 4.320 0.002 0.000 0.277 276 K C 0.680 177.264 176.600 -0.027 0.000 0.834 276 K CA 2.202 58.445 56.287 -0.072 0.000 0.935 276 K CB -1.072 31.233 32.500 -0.325 0.000 0.754 276 K HN 0.683 nan 8.250 nan 0.000 0.818 277 N N 1.235 119.895 118.700 -0.068 0.000 2.250 277 N HA 0.083 4.824 4.740 0.002 0.000 0.190 277 N C 0.040 175.561 175.510 0.020 0.000 1.116 277 N CA 0.001 53.044 53.050 -0.011 0.000 0.881 277 N CB 0.376 38.849 38.487 -0.024 0.000 1.006 277 N HN 0.065 nan 8.380 nan 0.000 0.491 278 K N 0.206 120.611 120.400 0.008 0.000 2.179 278 K HA 0.452 4.773 4.320 0.002 0.000 0.238 278 K C -0.512 176.185 176.600 0.161 0.000 1.033 278 K CA -0.148 56.180 56.287 0.068 0.000 0.926 278 K CB 0.638 33.147 32.500 0.015 0.000 1.151 278 K HN -0.017 nan 8.250 nan 0.000 0.492 279 T N 1.600 116.280 114.554 0.211 0.000 3.566 279 T HA 0.258 4.609 4.350 0.002 0.000 0.330 279 T C -0.889 173.877 174.700 0.111 0.000 0.877 279 T CA -0.751 61.477 62.100 0.213 0.000 1.030 279 T CB -0.086 68.969 68.868 0.312 0.000 1.033 279 T HN 0.443 nan 8.240 nan 0.000 0.463 280 Y N -0.286 119.858 120.300 -0.261 0.000 2.480 280 Y HA 0.858 5.409 4.550 0.002 0.000 0.323 280 Y C 0.460 175.805 175.900 -0.924 0.000 1.267 280 Y CA -1.409 56.357 58.100 -0.557 0.000 1.336 280 Y CB 0.744 38.931 38.460 -0.456 0.000 1.361 280 Y HN 0.610 nan 8.280 nan 0.000 0.518 281 C N 1.701 120.323 119.300 -1.130 0.000 2.563 281 C HA 0.861 5.322 4.460 0.002 0.000 0.314 281 C C -0.971 173.673 174.990 -0.576 0.000 1.199 281 C CA -0.359 57.953 59.018 -1.176 0.000 1.564 281 C CB 0.673 27.378 27.740 -1.724 0.000 2.173 281 C HN 0.756 nan 8.230 nan 0.000 0.485 282 V N 5.393 125.112 119.914 -0.325 0.000 2.735 282 V HA 0.616 4.737 4.120 0.002 0.000 0.310 282 V C -0.501 175.600 176.094 0.011 0.000 1.061 282 V CA -0.553 61.638 62.300 -0.182 0.000 0.913 282 V CB 2.033 33.732 31.823 -0.206 0.000 1.005 282 V HN 0.893 nan 8.190 nan 0.000 0.428 283 K N 2.132 122.548 120.400 0.027 0.000 2.378 283 K HA 0.745 5.066 4.320 0.002 0.000 0.252 283 K C 0.080 176.708 176.600 0.047 0.000 0.931 283 K CA -0.134 56.193 56.287 0.067 0.000 0.794 283 K CB 2.141 34.664 32.500 0.038 0.000 1.181 283 K HN 1.203 nan 8.250 nan 0.000 0.425 284 G N 0.976 109.787 108.800 0.018 0.000 2.787 284 G HA2 0.195 4.156 3.960 0.002 0.000 0.685 284 G HA3 0.195 4.156 3.960 0.002 0.000 0.685 284 G C 0.108 175.018 174.900 0.016 0.000 1.437 284 G CA -0.407 44.706 45.100 0.022 0.000 0.872 284 G HN 1.107 nan 8.290 nan 0.000 0.566 285 G N -0.791 108.047 108.800 0.064 0.000 2.819 285 G HA2 0.292 4.253 3.960 0.002 0.000 0.682 285 G HA3 0.292 4.253 3.960 0.002 0.000 0.682 285 G C -0.108 174.728 174.900 -0.107 0.000 1.481 285 G CA 0.592 45.780 45.100 0.147 0.000 0.904 285 G HN 2.251 nan 8.290 nan 0.000 0.563 286 M N 1.830 121.508 119.600 0.131 0.000 2.259 286 M HA 0.549 5.030 4.480 0.002 0.000 0.304 286 M C -2.479 173.928 176.300 0.178 0.000 1.019 286 M CA -2.051 53.308 55.300 0.097 0.000 0.922 286 M CB 2.069 34.821 32.600 0.253 0.000 1.600 286 M HN 0.375 nan 8.290 nan 0.000 0.433 287 P HA 0.182 nan 4.420 nan 0.000 0.271 287 P C 0.114 177.503 177.300 0.148 0.000 1.220 287 P CA -0.220 62.994 63.100 0.190 0.000 0.768 287 P CB 0.871 32.692 31.700 0.203 0.000 0.848 288 S N 1.585 117.362 115.700 0.129 0.000 2.447 288 S HA -0.077 4.394 4.470 0.002 0.000 0.233 288 S C 1.890 176.533 174.600 0.070 0.000 1.006 288 S CA 0.939 59.195 58.200 0.093 0.000 0.957 288 S CB -1.137 62.103 63.200 0.068 0.000 0.773 288 S HN 0.556 nan 8.310 nan 0.000 0.507 289 G N 0.050 108.898 108.800 0.081 0.000 2.848 289 G HA2 0.145 4.106 3.960 0.002 0.000 0.208 289 G HA3 0.145 4.106 3.960 0.002 0.000 0.208 289 G C 0.350 175.287 174.900 0.062 0.000 1.152 289 G CA -0.090 45.050 45.100 0.066 0.000 0.789 289 G HN 0.547 nan 8.290 nan 0.000 0.531 290 C N 0.072 119.418 119.300 0.077 0.000 2.466 290 C HA 0.594 5.055 4.460 0.002 0.000 0.379 290 C C 1.338 176.372 174.990 0.072 0.000 1.251 290 C CA -0.777 58.297 59.018 0.094 0.000 2.263 290 C CB 1.094 28.915 27.740 0.135 0.000 2.511 290 C HN 0.353 nan 8.230 nan 0.000 0.573 291 S N 1.136 116.893 115.700 0.094 0.000 2.558 291 S HA 0.356 4.827 4.470 0.002 0.000 0.293 291 S C 1.318 175.915 174.600 -0.005 0.000 1.292 291 S CA 1.185 59.419 58.200 0.057 0.000 1.063 291 S CB -0.121 63.193 63.200 0.189 0.000 0.831 291 S HN 1.887 nan 8.310 nan 0.000 0.499 292 G N 3.095 111.651 108.800 -0.406 0.000 2.184 292 G HA2 -0.356 3.605 3.960 0.002 0.000 0.264 292 G HA3 -0.356 3.605 3.960 0.002 0.000 0.264 292 G C 1.001 175.496 174.900 -0.674 0.000 0.975 292 G CA 1.337 45.910 45.100 -0.877 0.000 0.642 292 G HN 1.362 nan 8.290 nan 0.000 0.536 293 T N -1.584 112.838 114.554 -0.220 0.000 2.652 293 T HA -0.138 4.213 4.350 0.002 0.000 0.267 293 T C 2.358 176.995 174.700 -0.105 0.000 1.039 293 T CA 2.398 64.489 62.100 -0.015 0.000 1.153 293 T CB -0.647 68.256 68.868 0.058 0.000 0.863 293 T HN 0.975 nan 8.240 nan 0.000 0.428 294 S N 0.976 116.570 115.700 -0.177 0.000 2.380 294 S HA -0.093 4.378 4.470 0.002 0.000 0.229 294 S C 2.029 176.472 174.600 -0.262 0.000 1.043 294 S CA 1.519 59.616 58.200 -0.172 0.000 1.038 294 S CB -0.692 62.413 63.200 -0.160 0.000 0.872 294 S HN 0.592 nan 8.310 nan 0.000 0.456 295 I N -0.054 120.255 120.570 -0.435 0.000 2.406 295 I HA -0.061 4.110 4.170 0.002 0.000 0.249 295 I C 1.731 177.601 176.117 -0.412 0.000 1.122 295 I CA 0.741 61.717 61.300 -0.540 0.000 1.431 295 I CB -0.242 37.282 38.000 -0.795 0.000 1.087 295 I HN 0.288 nan 8.210 nan 0.000 0.424 296 F N 0.972 120.778 119.950 -0.240 0.000 2.146 296 F HA -0.144 4.384 4.527 0.002 0.000 0.298 296 F C 2.346 178.096 175.800 -0.083 0.000 1.096 296 F CA 0.940 58.846 58.000 -0.156 0.000 1.275 296 F CB -1.235 37.715 39.000 -0.084 0.000 1.008 296 F HN 0.101 nan 8.300 nan 0.000 0.480 297 N N -0.190 118.589 118.700 0.133 0.000 2.289 297 N HA -0.122 4.619 4.740 0.002 0.000 0.184 297 N C 1.906 177.421 175.510 0.009 0.000 1.016 297 N CA 1.205 54.320 53.050 0.108 0.000 0.872 297 N CB -0.342 38.209 38.487 0.105 0.000 0.973 297 N HN 0.154 nan 8.380 nan 0.000 0.433 298 S N 0.475 116.149 115.700 -0.043 0.000 2.406 298 S HA 0.124 4.595 4.470 0.002 0.000 0.224 298 S C 1.982 176.592 174.600 0.018 0.000 1.030 298 S CA 0.418 58.595 58.200 -0.039 0.000 0.958 298 S CB 0.117 63.289 63.200 -0.047 0.000 0.811 298 S HN 0.266 nan 8.310 nan 0.000 0.489 299 M N 1.009 120.649 119.600 0.066 0.000 2.086 299 M HA -0.065 4.416 4.480 0.002 0.000 0.261 299 M C 1.925 178.243 176.300 0.030 0.000 1.067 299 M CA 1.471 56.882 55.300 0.185 0.000 1.116 299 M CB -0.554 32.208 32.600 0.271 0.000 1.348 299 M HN 0.264 nan 8.290 nan 0.000 0.407 300 I N 0.048 120.623 120.570 0.008 0.000 2.127 300 I HA -0.356 3.815 4.170 0.002 0.000 0.241 300 I C 2.302 178.311 176.117 -0.181 0.000 1.075 300 I CA 1.193 62.437 61.300 -0.094 0.000 1.334 300 I CB -0.774 37.125 38.000 -0.169 0.000 1.040 300 I HN 0.388 nan 8.210 nan 0.000 0.405 301 N N 1.529 120.176 118.700 -0.088 0.000 2.089 301 N HA -0.264 4.477 4.740 0.002 0.000 0.198 301 N C 1.479 176.907 175.510 -0.135 0.000 1.017 301 N CA 1.778 54.782 53.050 -0.077 0.000 0.880 301 N CB -0.547 37.898 38.487 -0.070 0.000 1.042 301 N HN 0.378 nan 8.380 nan 0.000 0.446 302 N N 0.250 118.808 118.700 -0.236 0.000 2.149 302 N HA -0.121 4.620 4.740 0.002 0.000 0.188 302 N C 1.827 177.145 175.510 -0.320 0.000 1.019 302 N CA 0.848 53.656 53.050 -0.404 0.000 0.857 302 N CB -0.105 37.795 38.487 -0.978 0.000 0.997 302 N HN 0.331 nan 8.380 nan 0.000 0.426 303 L N 0.716 121.799 121.223 -0.233 0.000 2.131 303 L HA -0.027 4.314 4.340 0.002 0.000 0.206 303 L C 2.299 179.163 176.870 -0.011 0.000 1.087 303 L CA 0.558 55.392 54.840 -0.009 0.000 0.767 303 L CB -0.282 41.877 42.059 0.165 0.000 0.917 303 L HN 0.074 nan 8.230 nan 0.000 0.441 304 I N -0.145 120.261 120.570 -0.273 0.000 2.226 304 I HA -0.309 3.862 4.170 0.002 0.000 0.245 304 I C 2.422 178.490 176.117 -0.083 0.000 1.100 304 I CA 1.169 62.208 61.300 -0.436 0.000 1.374 304 I CB -0.111 37.543 38.000 -0.577 0.000 1.057 304 I HN 0.170 nan 8.210 nan 0.000 0.413 305 I N 0.548 121.123 120.570 0.010 0.000 2.090 305 I HA -0.276 3.895 4.170 0.002 0.000 0.236 305 I C 2.602 178.751 176.117 0.054 0.000 1.064 305 I CA 1.591 62.951 61.300 0.099 0.000 1.324 305 I CB -1.425 36.658 38.000 0.138 0.000 1.044 305 I HN 0.218 nan 8.210 nan 0.000 0.399 306 R N 0.159 120.687 120.500 0.046 0.000 2.178 306 R HA -0.217 4.124 4.340 0.002 0.000 0.257 306 R C 2.226 178.555 176.300 0.049 0.000 1.163 306 R CA 2.277 58.408 56.100 0.052 0.000 0.981 306 R CB -0.601 29.766 30.300 0.111 0.000 0.878 306 R HN 0.400 nan 8.270 nan 0.000 0.454 307 T N 0.760 115.363 114.554 0.082 0.000 2.915 307 T HA -0.012 4.339 4.350 0.002 0.000 0.269 307 T C 1.638 176.345 174.700 0.013 0.000 1.071 307 T CA 0.870 63.035 62.100 0.108 0.000 1.132 307 T CB 0.062 69.053 68.868 0.205 0.000 0.878 307 T HN 0.173 nan 8.240 nan 0.000 0.479 308 L N 0.007 121.217 121.223 -0.021 0.000 2.253 308 L HA 0.226 4.567 4.340 0.002 0.000 0.205 308 L C 2.181 178.992 176.870 -0.099 0.000 1.078 308 L CA 0.567 55.373 54.840 -0.055 0.000 0.805 308 L CB -0.513 41.516 42.059 -0.050 0.000 0.963 308 L HN 0.193 nan 8.230 nan 0.000 0.459 309 L N -0.033 121.122 121.223 -0.113 0.000 2.353 309 L HA -0.165 4.176 4.340 0.002 0.000 0.220 309 L C 2.321 179.114 176.870 -0.129 0.000 1.133 309 L CA 0.870 55.600 54.840 -0.183 0.000 0.798 309 L CB -0.298 41.611 42.059 -0.250 0.000 0.922 309 L HN 0.340 nan 8.230 nan 0.000 0.445 310 L N -0.634 120.515 121.223 -0.123 0.000 2.221 310 L HA -0.097 4.244 4.340 0.002 0.000 0.202 310 L C 2.560 179.231 176.870 -0.331 0.000 1.074 310 L CA 0.648 55.415 54.840 -0.122 0.000 0.795 310 L CB -0.211 41.849 42.059 0.001 0.000 0.960 310 L HN 0.162 nan 8.230 nan 0.000 0.458 311 K N 0.057 120.092 120.400 -0.608 0.000 1.988 311 K HA -0.211 4.110 4.320 0.002 0.000 0.221 311 K C 1.904 178.296 176.600 -0.346 0.000 1.053 311 K CA 2.698 58.481 56.287 -0.840 0.000 0.959 311 K CB -0.168 32.042 32.500 -0.483 0.000 0.728 311 K HN 0.225 nan 8.250 nan 0.000 0.447 312 T N -0.640 113.822 114.554 -0.153 0.000 2.643 312 T HA -0.103 4.248 4.350 0.002 0.000 0.256 312 T C 0.647 175.303 174.700 -0.073 0.000 1.061 312 T CA 1.142 63.206 62.100 -0.060 0.000 1.163 312 T CB -0.510 68.427 68.868 0.115 0.000 0.865 312 T HN 0.204 nan 8.240 nan 0.000 0.407 313 Y N 4.325 124.515 120.300 -0.183 0.000 2.570 313 Y HA 0.182 4.733 4.550 0.002 0.000 0.336 313 Y C 0.665 176.493 175.900 -0.120 0.000 1.284 313 Y CA -1.052 56.954 58.100 -0.156 0.000 1.761 313 Y CB -0.572 37.765 38.460 -0.205 0.000 1.724 313 Y HN 0.209 nan 8.280 nan 0.000 0.455 314 K N 0.570 120.950 120.400 -0.033 0.000 2.530 314 K HA 0.132 4.453 4.320 0.002 0.000 0.280 314 K C 0.988 177.599 176.600 0.019 0.000 1.004 314 K CA 0.546 56.828 56.287 -0.009 0.000 1.071 314 K CB 0.131 32.617 32.500 -0.023 0.000 0.876 314 K HN 0.807 nan 8.250 nan 0.000 0.487 315 G N 2.897 111.718 108.800 0.034 0.000 2.295 315 G HA2 -0.285 3.676 3.960 0.002 0.000 0.287 315 G HA3 -0.285 3.676 3.960 0.002 0.000 0.287 315 G C -0.193 174.751 174.900 0.073 0.000 1.055 315 G CA 0.236 45.366 45.100 0.049 0.000 0.922 315 G HN 0.792 nan 8.290 nan 0.000 0.503 316 I N -0.430 120.169 120.570 0.049 0.000 2.428 316 I HA 0.514 4.685 4.170 0.002 0.000 0.296 316 I C -0.453 175.700 176.117 0.061 0.000 0.985 316 I CA -0.996 60.330 61.300 0.044 0.000 1.260 316 I CB 1.186 39.087 38.000 -0.165 0.000 1.389 316 I HN 0.060 nan 8.210 nan 0.000 0.484 317 D N 6.593 127.122 120.400 0.215 0.000 2.359 317 D HA 0.210 4.851 4.640 0.002 0.000 0.230 317 D C 0.844 177.226 176.300 0.136 0.000 1.118 317 D CA -0.114 54.005 54.000 0.198 0.000 0.844 317 D CB 1.140 42.153 40.800 0.355 0.000 1.059 317 D HN 0.533 nan 8.370 nan 0.000 0.493 318 L N 2.520 123.676 121.223 -0.111 0.000 2.362 318 L HA -0.076 4.265 4.340 0.002 0.000 0.219 318 L C 0.808 177.644 176.870 -0.057 0.000 1.134 318 L CA 0.650 55.315 54.840 -0.292 0.000 0.807 318 L CB -0.074 41.355 42.059 -1.049 0.000 0.927 318 L HN 0.349 nan 8.230 nan 0.000 0.447 319 D N -1.246 119.130 120.400 -0.041 0.000 2.392 319 D HA -0.097 4.544 4.640 0.002 0.000 0.228 319 D C 1.129 177.227 176.300 -0.337 0.000 1.003 319 D CA 0.858 54.792 54.000 -0.109 0.000 0.917 319 D CB -0.011 40.653 40.800 -0.226 0.000 0.890 319 D HN 0.332 nan 8.370 nan 0.000 0.532 320 H N -0.625 118.568 119.070 0.204 0.000 2.767 320 H HA 0.200 4.757 4.556 0.002 0.000 0.260 320 H C -0.200 175.331 175.328 0.339 0.000 1.172 320 H CA -0.598 55.558 56.048 0.180 0.000 1.048 320 H CB 0.400 30.197 29.762 0.058 0.000 1.697 320 H HN 0.068 nan 8.280 nan 0.000 0.606 321 L N 2.450 123.876 121.223 0.338 0.000 2.281 321 L HA 0.288 4.629 4.340 0.002 0.000 0.285 321 L C -0.270 176.708 176.870 0.181 0.000 1.074 321 L CA -0.275 54.729 54.840 0.274 0.000 0.817 321 L CB 0.600 42.772 42.059 0.187 0.000 1.168 321 L HN -0.193 nan 8.230 nan 0.000 0.434 322 K N 7.678 128.154 120.400 0.126 0.000 2.527 322 K HA 0.438 4.759 4.320 0.002 0.000 0.240 322 K C -0.847 175.728 176.600 -0.041 0.000 0.989 322 K CA -0.172 56.141 56.287 0.043 0.000 0.985 322 K CB 1.225 33.738 32.500 0.022 0.000 1.221 322 K HN 0.809 nan 8.250 nan 0.000 0.458 323 M N 0.854 120.428 119.600 -0.044 0.000 2.644 323 M HA 0.671 5.152 4.480 0.002 0.000 0.304 323 M C -0.815 175.428 176.300 -0.095 0.000 1.215 323 M CA -0.912 54.308 55.300 -0.133 0.000 0.871 323 M CB 2.035 34.553 32.600 -0.136 0.000 1.740 323 M HN 0.200 nan 8.290 nan 0.000 0.464 324 I N 1.785 122.253 120.570 -0.171 0.000 2.500 324 I HA 0.707 4.878 4.170 0.002 0.000 0.286 324 I C -0.789 175.303 176.117 -0.041 0.000 1.063 324 I CA -0.717 60.552 61.300 -0.051 0.000 1.062 324 I CB 2.038 40.044 38.000 0.010 0.000 1.223 324 I HN 0.974 nan 8.210 nan 0.000 0.435 325 A N 5.235 128.116 122.820 0.102 0.000 2.320 325 A HA 0.756 5.077 4.320 0.002 0.000 0.334 325 A C -1.705 176.054 177.584 0.292 0.000 1.147 325 A CA -0.377 51.758 52.037 0.164 0.000 0.820 325 A CB 1.185 20.203 19.000 0.029 0.000 1.218 325 A HN 0.618 nan 8.150 nan 0.000 0.482 326 Y N 1.279 121.693 120.300 0.189 0.000 2.488 326 Y HA 0.479 5.030 4.550 0.002 0.000 0.330 326 Y C 0.859 176.712 175.900 -0.079 0.000 1.013 326 Y CA 0.368 58.488 58.100 0.033 0.000 1.304 326 Y CB 0.762 39.171 38.460 -0.084 0.000 1.098 326 Y HN 1.665 nan 8.280 nan 0.000 0.498 327 G N 4.264 113.078 108.800 0.022 0.000 2.583 327 G HA2 -0.402 3.559 3.960 0.002 0.000 0.292 327 G HA3 -0.402 3.559 3.960 0.002 0.000 0.292 327 G C 1.005 175.683 174.900 -0.369 0.000 1.203 327 G CA 0.644 45.667 45.100 -0.127 0.000 0.987 327 G HN 0.686 nan 8.290 nan 0.000 0.554 328 D N 1.059 121.079 120.400 -0.633 0.000 2.269 328 D HA -0.009 4.632 4.640 0.002 0.000 0.208 328 D C 0.668 176.821 176.300 -0.245 0.000 0.963 328 D CA 1.037 54.500 54.000 -0.895 0.000 0.864 328 D CB -0.296 39.900 40.800 -1.006 0.000 0.936 328 D HN 0.378 nan 8.370 nan 0.000 0.505 329 D N 0.632 120.969 120.400 -0.104 0.000 2.414 329 D HA 0.205 4.846 4.640 0.002 0.000 0.242 329 D C -0.747 175.648 176.300 0.158 0.000 1.129 329 D CA -0.061 53.963 54.000 0.039 0.000 0.885 329 D CB 1.662 42.486 40.800 0.040 0.000 1.198 329 D HN -0.053 nan 8.370 nan 0.000 0.437 330 V N 4.884 124.845 119.914 0.078 0.000 3.077 330 V HA 0.509 4.630 4.120 0.002 0.000 0.299 330 V C -1.550 174.300 176.094 -0.406 0.000 1.276 330 V CA -0.861 61.350 62.300 -0.147 0.000 0.993 330 V CB 2.076 33.720 31.823 -0.298 0.000 1.076 330 V HN 0.578 nan 8.190 nan 0.000 0.434 331 I N 5.282 125.429 120.570 -0.704 0.000 2.582 331 I HA 0.932 5.103 4.170 0.002 0.000 0.292 331 I C -0.536 175.188 176.117 -0.656 0.000 1.066 331 I CA -0.188 60.687 61.300 -0.709 0.000 1.053 331 I CB 1.812 39.311 38.000 -0.836 0.000 1.241 331 I HN 1.026 nan 8.210 nan 0.000 0.421 332 A N 4.696 127.074 122.820 -0.737 0.000 2.566 332 A HA 0.907 5.228 4.320 0.002 0.000 0.292 332 A C -1.133 176.040 177.584 -0.684 0.000 1.112 332 A CA -0.245 51.323 52.037 -0.782 0.000 0.707 332 A CB 1.951 20.262 19.000 -1.149 0.000 1.302 332 A HN 0.846 nan 8.150 nan 0.000 0.409 333 S N -0.307 115.222 115.700 -0.284 0.000 2.550 333 S HA 0.766 5.237 4.470 0.002 0.000 0.270 333 S C -1.445 173.325 174.600 0.283 0.000 1.145 333 S CA -0.550 57.656 58.200 0.009 0.000 0.852 333 S CB 1.443 64.573 63.200 -0.116 0.000 1.119 333 S HN 1.849 nan 8.310 nan 0.000 0.465 334 Y N 1.365 121.732 120.300 0.112 0.000 2.552 334 Y HA 0.551 5.102 4.550 0.002 0.000 0.337 334 Y C -2.761 173.101 175.900 -0.062 0.000 1.094 334 Y CA -1.998 56.129 58.100 0.045 0.000 1.028 334 Y CB 2.258 40.734 38.460 0.026 0.000 1.321 334 Y HN 0.490 nan 8.280 nan 0.000 0.456 335 P HA -0.031 nan 4.420 nan 0.000 0.226 335 P C -0.747 176.083 177.300 -0.784 0.000 1.153 335 P CA 1.643 64.290 63.100 -0.755 0.000 0.777 335 P CB 0.184 31.299 31.700 -0.976 0.000 0.794 336 H N -1.113 117.803 119.070 -0.257 0.000 2.637 336 H HA 0.215 4.772 4.556 0.002 0.000 0.363 336 H C -0.082 175.293 175.328 0.079 0.000 1.131 336 H CA -0.976 55.051 56.048 -0.034 0.000 1.183 336 H CB 1.343 31.121 29.762 0.027 0.000 1.637 336 H HN 0.043 nan 8.280 nan 0.000 0.531 337 E N 2.050 122.343 120.200 0.155 0.000 2.452 337 E HA 0.174 4.525 4.350 0.002 0.000 0.261 337 E C -0.434 176.183 176.600 0.028 0.000 0.987 337 E CA -0.339 56.109 56.400 0.079 0.000 0.926 337 E CB 0.775 30.511 29.700 0.061 0.000 0.934 337 E HN 0.354 nan 8.360 nan 0.000 0.452 338 V N 2.405 122.205 119.914 -0.190 0.000 2.667 338 V HA 0.356 4.477 4.120 0.002 0.000 0.308 338 V C -0.614 175.318 176.094 -0.270 0.000 1.048 338 V CA -0.915 61.092 62.300 -0.489 0.000 0.928 338 V CB 1.860 32.960 31.823 -1.205 0.000 1.004 338 V HN 0.767 nan 8.190 nan 0.000 0.444 339 D N 3.745 124.094 120.400 -0.086 0.000 2.280 339 D HA 0.575 5.216 4.640 0.002 0.000 0.243 339 D C 0.708 176.967 176.300 -0.069 0.000 1.129 339 D CA 0.314 54.309 54.000 -0.008 0.000 0.848 339 D CB 1.924 42.758 40.800 0.056 0.000 1.107 339 D HN 0.843 nan 8.370 nan 0.000 0.471 340 A N 2.912 125.750 122.820 0.030 0.000 2.123 340 A HA -0.058 4.263 4.320 0.002 0.000 0.214 340 A C 2.041 179.522 177.584 -0.172 0.000 1.152 340 A CA 1.088 53.190 52.037 0.108 0.000 0.728 340 A CB -0.278 18.997 19.000 0.457 0.000 0.814 340 A HN 0.598 nan 8.150 nan 0.000 0.464 341 S N 0.761 116.142 115.700 -0.532 0.000 2.359 341 S HA -0.167 4.304 4.470 0.002 0.000 0.224 341 S C 1.864 176.145 174.600 -0.532 0.000 1.035 341 S CA 1.462 59.009 58.200 -1.089 0.000 1.018 341 S CB -0.853 61.923 63.200 -0.706 0.000 0.876 341 S HN 0.471 nan 8.310 nan 0.000 0.448 342 L N 1.182 122.236 121.223 -0.282 0.000 1.961 342 L HA -0.081 4.260 4.340 0.002 0.000 0.210 342 L C 2.794 179.569 176.870 -0.158 0.000 1.072 342 L CA 1.514 56.256 54.840 -0.164 0.000 0.749 342 L CB -1.064 40.967 42.059 -0.046 0.000 0.889 342 L HN 0.282 nan 8.230 nan 0.000 0.432 343 L N 0.169 121.300 121.223 -0.153 0.000 2.064 343 L HA -0.295 4.046 4.340 0.002 0.000 0.216 343 L C 2.816 179.549 176.870 -0.228 0.000 1.077 343 L CA 1.521 56.249 54.840 -0.185 0.000 0.766 343 L CB -0.864 41.050 42.059 -0.241 0.000 0.890 343 L HN 0.359 nan 8.230 nan 0.000 0.435 344 A N -0.931 121.727 122.820 -0.269 0.000 2.125 344 A HA -0.246 4.075 4.320 0.002 0.000 0.219 344 A C 2.151 179.662 177.584 -0.122 0.000 1.156 344 A CA 1.727 53.635 52.037 -0.215 0.000 0.671 344 A CB -0.342 18.598 19.000 -0.100 0.000 0.794 344 A HN 0.452 nan 8.150 nan 0.000 0.459 345 Q N 0.341 120.061 119.800 -0.133 0.000 2.008 345 Q HA -0.067 4.274 4.340 0.002 0.000 0.196 345 Q C 2.158 178.148 176.000 -0.017 0.000 0.973 345 Q CA 2.186 57.940 55.803 -0.082 0.000 0.826 345 Q CB -0.427 28.246 28.738 -0.109 0.000 0.894 345 Q HN 0.533 nan 8.270 nan 0.000 0.439 346 S N -0.047 115.652 115.700 -0.002 0.000 2.402 346 S HA -0.139 4.332 4.470 0.002 0.000 0.233 346 S C 1.881 176.607 174.600 0.210 0.000 1.030 346 S CA 1.018 59.270 58.200 0.088 0.000 1.003 346 S CB -0.893 62.360 63.200 0.089 0.000 0.813 346 S HN 0.643 nan 8.310 nan 0.000 0.477 347 G N 2.001 110.878 108.800 0.129 0.000 2.498 347 G HA2 -0.176 3.785 3.960 0.002 0.000 0.219 347 G HA3 -0.176 3.785 3.960 0.002 0.000 0.219 347 G C 1.345 176.370 174.900 0.209 0.000 1.119 347 G CA 0.493 45.702 45.100 0.182 0.000 0.766 347 G HN 0.524 nan 8.290 nan 0.000 0.552 348 K N 0.504 120.981 120.400 0.128 0.000 2.103 348 K HA -0.019 4.302 4.320 0.002 0.000 0.204 348 K C 1.804 178.463 176.600 0.098 0.000 1.052 348 K CA 1.060 57.407 56.287 0.101 0.000 0.945 348 K CB -0.134 32.395 32.500 0.048 0.000 0.722 348 K HN 0.063 nan 8.250 nan 0.000 0.443 349 D N 0.454 120.893 120.400 0.065 0.000 2.271 349 D HA -0.166 4.475 4.640 0.002 0.000 0.207 349 D C 0.721 176.924 176.300 -0.161 0.000 0.983 349 D CA 1.351 55.289 54.000 -0.103 0.000 0.878 349 D CB -0.119 40.529 40.800 -0.255 0.000 0.920 349 D HN 0.377 nan 8.370 nan 0.000 0.479 350 Y N -1.682 118.692 120.300 0.123 0.000 2.660 350 Y HA 0.396 4.947 4.550 0.002 0.000 0.254 350 Y C 1.758 177.775 175.900 0.194 0.000 1.176 350 Y CA -0.105 58.097 58.100 0.170 0.000 1.195 350 Y CB 0.986 39.638 38.460 0.320 0.000 1.190 350 Y HN -0.013 nan 8.280 nan 0.000 0.535 351 G N 0.536 109.488 108.800 0.253 0.000 2.199 351 G HA2 -0.290 3.671 3.960 0.002 0.000 0.254 351 G HA3 -0.290 3.671 3.960 0.002 0.000 0.254 351 G C 0.046 175.065 174.900 0.199 0.000 0.982 351 G CA -0.121 45.099 45.100 0.199 0.000 0.632 351 G HN 0.240 nan 8.290 nan 0.000 0.529 352 L N 2.247 123.618 121.223 0.246 0.000 2.361 352 L HA 0.370 4.711 4.340 0.002 0.000 0.278 352 L C 0.458 177.443 176.870 0.192 0.000 1.113 352 L CA -0.039 54.940 54.840 0.232 0.000 0.849 352 L CB 1.003 43.220 42.059 0.264 0.000 1.155 352 L HN 0.067 nan 8.230 nan 0.000 0.452 353 T N 4.742 119.416 114.554 0.199 0.000 3.688 353 T HA 0.353 4.704 4.350 0.002 0.000 0.307 353 T C 0.315 175.111 174.700 0.160 0.000 1.382 353 T CA -0.229 61.967 62.100 0.160 0.000 1.136 353 T CB -0.442 68.513 68.868 0.146 0.000 1.207 353 T HN 0.402 nan 8.240 nan 0.000 0.854 354 M N 3.141 122.796 119.600 0.091 0.000 2.120 354 M HA 0.329 4.810 4.480 0.002 0.000 0.354 354 M C 0.889 177.265 176.300 0.126 0.000 1.287 354 M CA -0.526 54.784 55.300 0.017 0.000 1.103 354 M CB 0.687 33.132 32.600 -0.258 0.000 1.623 354 M HN 0.461 nan 8.290 nan 0.000 0.471 355 T N 0.942 115.559 114.554 0.104 0.000 2.905 355 T HA 0.804 5.155 4.350 0.002 0.000 0.283 355 T C -2.888 171.649 174.700 -0.271 0.000 1.031 355 T CA -2.131 59.986 62.100 0.028 0.000 1.002 355 T CB 1.729 70.606 68.868 0.016 0.000 1.200 355 T HN 0.311 nan 8.240 nan 0.000 0.560 356 P HA 0.455 nan 4.420 nan 0.000 0.277 356 P C -0.828 176.264 177.300 -0.347 0.000 1.240 356 P CA -0.534 62.039 63.100 -0.878 0.000 0.798 356 P CB 0.203 31.399 31.700 -0.840 0.000 0.979 357 A N 1.536 124.205 122.820 -0.252 0.000 2.488 357 A HA 0.285 4.606 4.320 0.002 0.000 0.249 357 A C 0.330 177.850 177.584 -0.106 0.000 1.083 357 A CA 0.373 52.327 52.037 -0.139 0.000 0.768 357 A CB -1.249 17.681 19.000 -0.117 0.000 1.017 357 A HN 0.666 nan 8.150 nan 0.000 0.496 358 D N 0.446 120.798 120.400 -0.081 0.000 3.027 358 D HA -0.132 4.509 4.640 0.002 0.000 0.219 358 D C 0.291 176.572 176.300 -0.032 0.000 1.110 358 D CA 1.429 55.400 54.000 -0.048 0.000 0.841 358 D CB -1.412 39.372 40.800 -0.025 0.000 1.096 358 D HN 0.879 nan 8.370 nan 0.000 0.435 359 K N -1.601 118.773 120.400 -0.044 0.000 3.104 359 K HA -0.249 4.072 4.320 0.002 0.000 0.285 359 K C -0.061 176.523 176.600 -0.028 0.000 1.136 359 K CA 1.122 57.391 56.287 -0.029 0.000 0.842 359 K CB -1.340 31.155 32.500 -0.008 0.000 1.217 359 K HN 0.379 nan 8.250 nan 0.000 0.467 360 S N -0.527 115.145 115.700 -0.048 0.000 2.596 360 S HA 0.294 4.765 4.470 0.002 0.000 0.260 360 S C 1.568 176.142 174.600 -0.043 0.000 1.336 360 S CA -0.128 58.051 58.200 -0.036 0.000 0.993 360 S CB 1.344 64.517 63.200 -0.044 0.000 0.923 360 S HN 0.404 nan 8.310 nan 0.000 0.567 361 A N 0.704 123.517 122.820 -0.012 0.000 1.911 361 A HA 0.212 4.533 4.320 0.002 0.000 0.212 361 A C 1.256 178.857 177.584 0.028 0.000 1.189 361 A CA 1.173 53.216 52.037 0.010 0.000 0.639 361 A CB -0.473 18.543 19.000 0.026 0.000 0.839 361 A HN 0.814 nan 8.150 nan 0.000 0.449 362 T N -3.808 110.765 114.554 0.032 0.000 2.907 362 T HA 0.593 4.944 4.350 0.002 0.000 0.292 362 T C -0.696 174.060 174.700 0.094 0.000 1.043 362 T CA -0.701 61.467 62.100 0.114 0.000 1.003 362 T CB 0.791 69.726 68.868 0.111 0.000 1.084 362 T HN 0.103 nan 8.240 nan 0.000 0.483 363 F N 3.049 123.013 119.950 0.022 0.000 2.604 363 F HA 0.191 4.719 4.527 0.001 0.000 0.337 363 F C 1.480 177.296 175.800 0.026 0.000 1.294 363 F CA -0.401 57.615 58.000 0.027 0.000 1.066 363 F CB 0.021 39.032 39.000 0.019 0.000 1.391 363 F HN 0.445 nan 8.300 nan 0.000 0.652 364 E N 1.187 121.452 120.200 0.108 0.000 2.371 364 E HA 0.123 4.474 4.350 0.002 0.000 0.257 364 E C 0.311 176.961 176.600 0.084 0.000 1.134 364 E CA -0.331 56.119 56.400 0.083 0.000 0.919 364 E CB 0.525 30.254 29.700 0.048 0.000 1.025 364 E HN 0.262 nan 8.360 nan 0.000 0.438 365 T N 0.808 115.401 114.554 0.064 0.000 2.926 365 T HA 0.118 4.470 4.350 0.002 0.000 0.307 365 T C 0.184 174.898 174.700 0.023 0.000 1.059 365 T CA -0.295 61.834 62.100 0.049 0.000 1.122 365 T CB 0.532 69.420 68.868 0.033 0.000 0.972 365 T HN 0.110 nan 8.240 nan 0.000 0.545 366 V N 4.261 124.174 119.914 -0.002 0.000 2.439 366 V HA 0.529 4.650 4.120 0.002 0.000 0.282 366 V C 0.678 176.694 176.094 -0.129 0.000 1.039 366 V CA -0.498 61.765 62.300 -0.061 0.000 0.913 366 V CB 1.330 33.097 31.823 -0.095 0.000 0.983 366 V HN 1.163 nan 8.190 nan 0.000 0.460 367 T N -0.028 114.458 114.554 -0.114 0.000 2.916 367 T HA 0.347 4.698 4.350 0.002 0.000 0.292 367 T C 0.396 175.029 174.700 -0.111 0.000 1.055 367 T CA -0.665 61.361 62.100 -0.123 0.000 1.009 367 T CB 1.128 70.000 68.868 0.007 0.000 1.118 367 T HN 0.513 nan 8.240 nan 0.000 0.497 368 W N 0.395 121.671 121.300 -0.039 0.000 2.389 368 W HA -0.047 4.614 4.660 0.002 0.000 0.267 368 W C 1.911 178.480 176.519 0.085 0.000 1.219 368 W CA 0.631 57.946 57.345 -0.050 0.000 1.189 368 W CB -0.033 29.397 29.460 -0.050 0.000 1.129 368 W HN 0.775 nan 8.180 nan 0.000 0.581 369 E N -0.556 119.827 120.200 0.306 0.000 2.190 369 E HA -0.122 4.229 4.350 0.002 0.000 0.191 369 E C 1.847 178.651 176.600 0.340 0.000 0.978 369 E CA 1.133 57.703 56.400 0.282 0.000 0.839 369 E CB -0.325 29.478 29.700 0.172 0.000 0.787 369 E HN 0.278 nan 8.360 nan 0.000 0.473 370 N N -0.228 118.641 118.700 0.282 0.000 2.250 370 N HA -0.016 4.725 4.740 0.002 0.000 0.190 370 N C 0.209 175.870 175.510 0.253 0.000 1.116 370 N CA -0.091 53.164 53.050 0.342 0.000 0.881 370 N CB 0.046 38.647 38.487 0.189 0.000 1.006 370 N HN 0.011 nan 8.380 nan 0.000 0.491 371 V N 2.383 122.384 119.914 0.146 0.000 2.572 371 V HA 0.338 4.459 4.120 0.002 0.000 0.291 371 V C 0.038 176.162 176.094 0.051 0.000 1.039 371 V CA 0.211 62.511 62.300 0.002 0.000 1.055 371 V CB 0.415 32.121 31.823 -0.194 0.000 0.969 371 V HN 0.584 nan 8.190 nan 0.000 0.482 372 T N 4.432 118.931 114.554 -0.092 0.000 2.924 372 T HA 0.743 5.094 4.350 0.002 0.000 0.291 372 T C -1.010 173.821 174.700 0.218 0.000 1.045 372 T CA -0.660 61.395 62.100 -0.075 0.000 1.015 372 T CB 1.843 70.427 68.868 -0.474 0.000 1.103 372 T HN 0.673 nan 8.240 nan 0.000 0.496 373 F N 2.555 122.583 119.950 0.130 0.000 2.628 373 F HA 0.502 5.030 4.527 0.002 0.000 0.309 373 F C 0.035 175.960 175.800 0.208 0.000 1.108 373 F CA -2.237 55.859 58.000 0.161 0.000 0.971 373 F CB 1.110 40.254 39.000 0.240 0.000 1.279 373 F HN 0.769 nan 8.300 nan 0.000 0.441 374 L N 4.992 126.005 121.223 -0.350 0.000 3.976 374 L HA -0.376 3.966 4.340 0.002 0.000 0.418 374 L C 0.928 177.663 176.870 -0.225 0.000 1.177 374 L CA 1.208 55.817 54.840 -0.386 0.000 0.968 374 L CB -1.452 40.340 42.059 -0.445 0.000 1.933 374 L HN 0.932 nan 8.230 nan 0.000 0.976 375 K N -1.499 118.813 120.400 -0.146 0.000 3.391 375 K HA -0.176 4.145 4.320 0.002 0.000 0.307 375 K C 0.283 176.800 176.600 -0.138 0.000 1.304 375 K CA 1.631 57.832 56.287 -0.143 0.000 0.904 375 K CB -0.310 32.100 32.500 -0.149 0.000 1.293 375 K HN 0.562 nan 8.250 nan 0.000 0.470 376 R N -0.582 119.857 120.500 -0.102 0.000 2.803 376 R HA 0.547 4.888 4.340 0.002 0.000 0.276 376 R C -0.314 175.975 176.300 -0.017 0.000 0.978 376 R CA -0.817 55.230 56.100 -0.088 0.000 0.939 376 R CB 0.880 31.003 30.300 -0.296 0.000 1.179 376 R HN -0.121 nan 8.270 nan 0.000 0.472 377 F N 0.492 120.470 119.950 0.047 0.000 2.410 377 F HA 0.480 5.008 4.527 0.002 0.000 0.324 377 F C -0.044 175.841 175.800 0.141 0.000 1.093 377 F CA -0.307 57.804 58.000 0.185 0.000 1.028 377 F CB 0.754 39.840 39.000 0.144 0.000 1.309 377 F HN 0.230 nan 8.300 nan 0.000 0.499 378 F N 1.202 121.485 119.950 0.555 0.000 2.482 378 F HA 0.656 5.184 4.527 0.002 0.000 0.331 378 F C -0.391 175.577 175.800 0.280 0.000 1.115 378 F CA -0.900 57.347 58.000 0.412 0.000 0.955 378 F CB 1.361 40.514 39.000 0.254 0.000 1.136 378 F HN 0.021 nan 8.300 nan 0.000 0.452 379 R N 2.029 122.741 120.500 0.354 0.000 2.518 379 R HA 0.540 4.881 4.340 0.002 0.000 0.287 379 R C -0.829 175.617 176.300 0.244 0.000 1.135 379 R CA -1.081 55.163 56.100 0.239 0.000 0.967 379 R CB 1.609 32.004 30.300 0.158 0.000 1.212 379 R HN 0.754 nan 8.270 nan 0.000 0.422 380 A N 1.924 124.845 122.820 0.169 0.000 2.483 380 A HA 0.102 4.423 4.320 0.002 0.000 0.238 380 A C 0.077 177.816 177.584 0.258 0.000 1.070 380 A CA -0.033 52.099 52.037 0.158 0.000 0.770 380 A CB 0.142 19.189 19.000 0.077 0.000 1.008 380 A HN 0.626 nan 8.150 nan 0.000 0.497 381 D N 0.541 121.124 120.400 0.306 0.000 2.424 381 D HA 0.126 4.767 4.640 0.002 0.000 0.244 381 D C 1.137 177.592 176.300 0.259 0.000 1.134 381 D CA 0.395 54.654 54.000 0.432 0.000 0.881 381 D CB 0.581 41.704 40.800 0.539 0.000 1.191 381 D HN 0.607 nan 8.370 nan 0.000 0.445 382 E N 2.070 122.408 120.200 0.230 0.000 2.118 382 E HA -0.231 4.121 4.350 0.002 0.000 0.195 382 E C 1.372 178.027 176.600 0.091 0.000 0.992 382 E CA 1.076 57.552 56.400 0.126 0.000 0.804 382 E CB 0.204 29.958 29.700 0.090 0.000 0.741 382 E HN 0.408 nan 8.360 nan 0.000 0.458 383 K N -0.397 120.090 120.400 0.145 0.000 2.078 383 K HA -0.025 4.296 4.320 0.002 0.000 0.203 383 K C -0.067 176.361 176.600 -0.287 0.000 1.043 383 K CA 0.635 56.895 56.287 -0.046 0.000 0.960 383 K CB 0.304 32.853 32.500 0.082 0.000 0.761 383 K HN 0.016 nan 8.250 nan 0.000 0.448 384 Y N 0.706 120.996 120.300 -0.015 0.000 2.944 384 Y HA 0.270 4.821 4.550 0.002 0.000 0.335 384 Y C -2.143 173.498 175.900 -0.432 0.000 1.075 384 Y CA -2.630 55.278 58.100 -0.321 0.000 1.240 384 Y CB 1.233 39.367 38.460 -0.544 0.000 1.167 384 Y HN 0.199 nan 8.280 nan 0.000 0.555 385 P HA -0.183 nan 4.420 nan 0.000 0.223 385 P C 1.065 178.358 177.300 -0.013 0.000 1.144 385 P CA 1.349 64.450 63.100 0.001 0.000 0.783 385 P CB -0.148 31.593 31.700 0.068 0.000 0.771 386 F N -2.333 117.613 119.950 -0.006 0.000 2.710 386 F HA 0.197 4.725 4.527 0.002 0.000 0.298 386 F C 0.601 176.313 175.800 -0.147 0.000 1.137 386 F CA -0.346 57.605 58.000 -0.080 0.000 1.444 386 F CB -1.107 37.835 39.000 -0.097 0.000 1.111 386 F HN -0.288 nan 8.300 nan 0.000 0.580 387 L N 3.431 124.310 121.223 -0.574 0.000 2.290 387 L HA 0.306 4.647 4.340 0.002 0.000 0.284 387 L C -0.316 176.541 176.870 -0.021 0.000 1.078 387 L CA -0.602 53.954 54.840 -0.473 0.000 0.815 387 L CB 1.016 42.584 42.059 -0.819 0.000 1.162 387 L HN 0.019 nan 8.230 nan 0.000 0.435 388 I N 2.833 123.484 120.570 0.135 0.000 2.378 388 I HA 0.288 4.459 4.170 0.002 0.000 0.291 388 I C 0.310 176.636 176.117 0.349 0.000 0.992 388 I CA -0.537 60.915 61.300 0.253 0.000 1.154 388 I CB 1.182 39.332 38.000 0.250 0.000 1.315 388 I HN 0.468 nan 8.210 nan 0.000 0.448 389 H N 6.810 126.002 119.070 0.203 0.000 2.646 389 H HA 0.222 4.779 4.556 0.002 0.000 0.325 389 H C -2.111 173.023 175.328 -0.323 0.000 1.075 389 H CA -1.370 54.517 56.048 -0.269 0.000 1.421 389 H CB 1.062 30.579 29.762 -0.408 0.000 1.461 389 H HN 0.249 nan 8.280 nan 0.000 0.525 390 P HA 0.039 nan 4.420 nan 0.000 0.286 390 P C -0.339 176.569 177.300 -0.653 0.000 1.321 390 P CA -0.352 62.121 63.100 -1.044 0.000 0.790 390 P CB 0.678 31.378 31.700 -1.667 0.000 0.897 391 V N 5.840 125.598 119.914 -0.260 0.000 2.288 391 V HA 0.250 4.371 4.120 0.002 0.000 0.266 391 V C 0.846 176.918 176.094 -0.038 0.000 1.048 391 V CA -0.508 61.704 62.300 -0.146 0.000 0.842 391 V CB 0.643 32.441 31.823 -0.042 0.000 1.064 391 V HN 0.581 nan 8.190 nan 0.000 0.472 392 M N 7.882 127.392 119.600 -0.149 0.000 2.217 392 M HA 0.376 4.857 4.480 0.002 0.000 0.354 392 M C -2.443 173.798 176.300 -0.098 0.000 1.225 392 M CA -1.267 53.971 55.300 -0.104 0.000 1.137 392 M CB 1.442 33.938 32.600 -0.173 0.000 1.576 392 M HN 0.294 nan 8.290 nan 0.000 0.461 393 P HA 0.089 nan 4.420 nan 0.000 0.276 393 P C 0.289 177.459 177.300 -0.217 0.000 1.230 393 P CA -0.303 62.742 63.100 -0.092 0.000 0.776 393 P CB 0.661 32.367 31.700 0.010 0.000 0.888 394 M N 1.764 121.177 119.600 -0.312 0.000 2.213 394 M HA -0.155 4.326 4.480 0.002 0.000 0.263 394 M C 1.793 177.666 176.300 -0.713 0.000 1.062 394 M CA 1.558 56.492 55.300 -0.610 0.000 1.105 394 M CB -1.104 31.118 32.600 -0.629 0.000 1.385 394 M HN 0.472 nan 8.290 nan 0.000 0.417 395 K N 1.018 121.222 120.400 -0.326 0.000 2.071 395 K HA -0.234 4.087 4.320 0.002 0.000 0.217 395 K C 1.662 178.185 176.600 -0.128 0.000 1.054 395 K CA 2.077 58.288 56.287 -0.127 0.000 0.937 395 K CB -0.136 32.342 32.500 -0.037 0.000 0.719 395 K HN 0.521 nan 8.250 nan 0.000 0.454 396 E N -0.150 119.959 120.200 -0.153 0.000 2.112 396 E HA -0.122 4.229 4.350 0.002 0.000 0.190 396 E C 2.327 178.851 176.600 -0.127 0.000 0.979 396 E CA 0.824 57.162 56.400 -0.104 0.000 0.814 396 E CB -0.219 29.422 29.700 -0.099 0.000 0.762 396 E HN 0.373 nan 8.360 nan 0.000 0.460 397 I N 1.319 121.740 120.570 -0.249 0.000 2.226 397 I HA -0.275 3.896 4.170 0.002 0.000 0.245 397 I C 2.341 178.317 176.117 -0.235 0.000 1.100 397 I CA 1.438 62.566 61.300 -0.285 0.000 1.374 397 I CB -0.421 37.277 38.000 -0.503 0.000 1.057 397 I HN 0.148 nan 8.210 nan 0.000 0.413 398 H N 0.144 119.040 119.070 -0.290 0.000 2.353 398 H HA -0.141 4.416 4.556 0.002 0.000 0.300 398 H C 2.170 177.419 175.328 -0.131 0.000 1.090 398 H CA 0.879 56.740 56.048 -0.312 0.000 1.327 398 H CB 0.114 29.798 29.762 -0.130 0.000 1.383 398 H HN 0.287 nan 8.280 nan 0.000 0.508 399 E N 0.479 120.729 120.200 0.084 0.000 2.038 399 E HA -0.192 4.159 4.350 0.002 0.000 0.195 399 E C 2.440 179.161 176.600 0.201 0.000 1.000 399 E CA 1.164 57.645 56.400 0.136 0.000 0.803 399 E CB -0.478 29.281 29.700 0.098 0.000 0.750 399 E HN 0.289 nan 8.360 nan 0.000 0.448 400 S N 0.676 116.451 115.700 0.125 0.000 2.368 400 S HA -0.117 4.354 4.470 0.002 0.000 0.225 400 S C 2.070 176.820 174.600 0.249 0.000 1.030 400 S CA 0.858 59.183 58.200 0.209 0.000 0.999 400 S CB -0.184 63.122 63.200 0.176 0.000 0.844 400 S HN 0.281 nan 8.310 nan 0.000 0.459 401 I N 1.005 121.589 120.570 0.024 0.000 2.676 401 I HA 0.025 4.196 4.170 0.002 0.000 0.259 401 I C 2.039 178.179 176.117 0.039 0.000 1.194 401 I CA 0.723 61.941 61.300 -0.137 0.000 1.473 401 I CB -0.085 37.713 38.000 -0.337 0.000 1.096 401 I HN 0.226 nan 8.210 nan 0.000 0.443 402 R N -0.281 120.242 120.500 0.039 0.000 2.339 402 R HA -0.036 4.305 4.340 0.002 0.000 0.199 402 R C -0.742 175.398 176.300 -0.267 0.000 1.018 402 R CA 0.504 56.519 56.100 -0.142 0.000 1.036 402 R CB -0.155 29.908 30.300 -0.395 0.000 0.899 402 R HN 0.282 nan 8.270 nan 0.000 0.473 403 W N -1.396 120.019 121.300 0.193 0.000 3.031 403 W HA 0.406 5.066 4.660 0.002 0.000 0.337 403 W C -0.144 176.511 176.519 0.226 0.000 1.187 403 W CA -0.719 56.740 57.345 0.190 0.000 1.166 403 W CB 1.689 31.233 29.460 0.140 0.000 1.437 403 W HN -0.356 nan 8.180 nan 0.000 0.551 404 T N -0.058 114.755 114.554 0.432 0.000 2.853 404 T HA 0.369 4.720 4.350 0.002 0.000 0.311 404 T C -0.560 174.255 174.700 0.193 0.000 1.307 404 T CA -0.747 61.527 62.100 0.289 0.000 1.019 404 T CB 1.432 70.452 68.868 0.253 0.000 1.264 404 T HN 0.541 nan 8.240 nan 0.000 0.497 405 K N 1.639 122.105 120.400 0.109 0.000 2.438 405 K HA 0.327 4.648 4.320 0.002 0.000 0.205 405 K C -0.857 175.775 176.600 0.054 0.000 1.033 405 K CA -0.344 55.983 56.287 0.067 0.000 1.089 405 K CB 0.512 33.024 32.500 0.020 0.000 0.857 405 K HN 0.525 nan 8.250 nan 0.000 0.522 406 D N -0.108 120.334 120.400 0.070 0.000 2.211 406 D HA 0.021 4.662 4.640 0.002 0.000 0.130 406 D C -2.659 173.684 176.300 0.072 0.000 1.065 406 D CA -0.785 53.249 54.000 0.056 0.000 1.156 406 D CB 1.122 41.943 40.800 0.036 0.000 2.851 406 D HN -0.241 nan 8.370 nan 0.000 0.616 407 P HA -0.026 nan 4.420 nan 0.000 0.223 407 P C 1.124 178.467 177.300 0.071 0.000 1.144 407 P CA 0.702 63.849 63.100 0.078 0.000 0.783 407 P CB 0.182 31.912 31.700 0.050 0.000 0.771 408 R N -0.815 119.718 120.500 0.054 0.000 2.249 408 R HA -0.058 4.283 4.340 0.002 0.000 0.230 408 R C 1.088 177.422 176.300 0.057 0.000 1.121 408 R CA 0.821 56.949 56.100 0.046 0.000 0.997 408 R CB -0.618 29.701 30.300 0.033 0.000 0.867 408 R HN 0.272 nan 8.270 nan 0.000 0.465 409 N N -0.581 118.165 118.700 0.076 0.000 2.280 409 N HA 0.007 4.748 4.740 0.002 0.000 0.192 409 N C 0.930 176.523 175.510 0.138 0.000 1.109 409 N CA 0.445 53.547 53.050 0.087 0.000 0.855 409 N CB 0.472 39.002 38.487 0.071 0.000 0.974 409 N HN 0.040 nan 8.380 nan 0.000 0.482 410 T N 1.011 115.656 114.554 0.150 0.000 2.737 410 T HA -0.219 4.133 4.350 0.002 0.000 0.269 410 T C 1.900 176.699 174.700 0.165 0.000 1.040 410 T CA 1.503 63.722 62.100 0.197 0.000 1.142 410 T CB 0.034 69.019 68.868 0.195 0.000 0.861 410 T HN 0.281 nan 8.240 nan 0.000 0.456 411 Q N 1.064 120.936 119.800 0.119 0.000 2.046 411 Q HA -0.119 4.222 4.340 0.002 0.000 0.200 411 Q C 1.836 177.888 176.000 0.086 0.000 0.975 411 Q CA 1.739 57.595 55.803 0.087 0.000 0.836 411 Q CB -0.375 28.401 28.738 0.064 0.000 0.896 411 Q HN 0.337 nan 8.270 nan 0.000 0.428 412 D N -0.819 119.637 120.400 0.094 0.000 2.097 412 D HA -0.171 4.470 4.640 0.002 0.000 0.195 412 D C 1.653 178.034 176.300 0.136 0.000 0.989 412 D CA 1.469 55.521 54.000 0.087 0.000 0.827 412 D CB -0.446 40.392 40.800 0.064 0.000 0.966 412 D HN 0.527 nan 8.370 nan 0.000 0.456 413 H N 0.177 119.269 119.070 0.037 0.000 2.254 413 H HA -0.146 4.411 4.556 0.002 0.000 0.294 413 H C 2.099 177.444 175.328 0.029 0.000 1.071 413 H CA 1.809 57.879 56.048 0.037 0.000 1.228 413 H CB -0.025 29.772 29.762 0.059 0.000 1.358 413 H HN -0.093 nan 8.280 nan 0.000 0.495 414 V N 0.940 120.863 119.914 0.016 0.000 2.282 414 V HA -0.312 3.809 4.120 0.002 0.000 0.249 414 V C 2.641 178.742 176.094 0.012 0.000 1.057 414 V CA 2.289 64.522 62.300 -0.110 0.000 1.032 414 V CB -0.743 30.965 31.823 -0.192 0.000 0.645 414 V HN 0.421 nan 8.190 nan 0.000 0.447 415 R N 0.031 120.557 120.500 0.043 0.000 2.096 415 R HA -0.196 4.145 4.340 0.002 0.000 0.240 415 R C 2.564 178.917 176.300 0.088 0.000 1.139 415 R CA 2.058 58.198 56.100 0.066 0.000 0.952 415 R CB -0.431 29.898 30.300 0.050 0.000 0.854 415 R HN 0.496 nan 8.270 nan 0.000 0.436 416 S N 0.625 116.380 115.700 0.093 0.000 2.370 416 S HA -0.131 4.340 4.470 0.002 0.000 0.226 416 S C 1.810 176.467 174.600 0.096 0.000 1.033 416 S CA 1.376 59.628 58.200 0.088 0.000 1.011 416 S CB -0.197 63.060 63.200 0.095 0.000 0.852 416 S HN 0.300 nan 8.310 nan 0.000 0.457 417 L N 0.545 121.837 121.223 0.115 0.000 2.083 417 L HA -0.155 4.186 4.340 0.002 0.000 0.209 417 L C 2.524 179.491 176.870 0.161 0.000 1.083 417 L CA 0.811 55.708 54.840 0.096 0.000 0.752 417 L CB -0.777 41.324 42.059 0.071 0.000 0.899 417 L HN 0.423 nan 8.230 nan 0.000 0.433 418 C N -0.116 119.348 119.300 0.272 0.000 2.411 418 C HA -0.151 4.310 4.460 0.002 0.000 0.279 418 C C 2.695 177.855 174.990 0.284 0.000 1.288 418 C CA 0.363 59.636 59.018 0.424 0.000 1.764 418 C CB -0.836 27.156 27.740 0.421 0.000 1.974 418 C HN 0.440 nan 8.230 nan 0.000 0.498 419 L N 0.001 121.330 121.223 0.177 0.000 2.275 419 L HA -0.084 4.258 4.340 0.002 0.000 0.215 419 L C 2.250 179.240 176.870 0.200 0.000 1.119 419 L CA 1.455 56.406 54.840 0.185 0.000 0.790 419 L CB -0.637 41.481 42.059 0.098 0.000 0.919 419 L HN 0.468 nan 8.230 nan 0.000 0.443 420 L N -0.917 120.356 121.223 0.084 0.000 2.253 420 L HA 0.048 4.389 4.340 0.002 0.000 0.205 420 L C 2.714 179.514 176.870 -0.116 0.000 1.078 420 L CA 0.636 55.459 54.840 -0.029 0.000 0.805 420 L CB -0.397 41.612 42.059 -0.083 0.000 0.963 420 L HN 0.116 nan 8.230 nan 0.000 0.459 421 A N 0.558 123.337 122.820 -0.067 0.000 1.970 421 A HA -0.167 4.154 4.320 0.002 0.000 0.216 421 A C 2.079 179.614 177.584 -0.081 0.000 1.170 421 A CA 0.847 52.807 52.037 -0.128 0.000 0.645 421 A CB -0.730 18.147 19.000 -0.206 0.000 0.816 421 A HN 0.682 nan 8.150 nan 0.000 0.447 422 W N -0.129 120.998 121.300 -0.287 0.000 2.421 422 W HA -0.151 4.510 4.660 0.002 0.000 0.270 422 W C 1.170 177.451 176.519 -0.396 0.000 1.233 422 W CA 1.249 58.269 57.345 -0.542 0.000 1.226 422 W CB -1.102 27.678 29.460 -1.133 0.000 1.121 422 W HN 0.471 nan 8.180 nan 0.000 0.579 423 H N 1.159 119.484 119.070 -1.241 0.000 2.489 423 H HA -0.063 4.494 4.556 0.002 0.000 0.293 423 H C 1.605 176.510 175.328 -0.704 0.000 1.066 423 H CA 1.196 56.481 56.048 -1.272 0.000 1.305 423 H CB -0.509 28.606 29.762 -1.079 0.000 1.386 423 H HN 0.308 nan 8.280 nan 0.000 0.551 424 N N 0.601 119.106 118.700 -0.325 0.000 2.609 424 N HA -0.029 4.712 4.740 0.002 0.000 0.190 424 N C 0.592 176.010 175.510 -0.154 0.000 1.157 424 N CA 0.876 53.801 53.050 -0.208 0.000 0.918 424 N CB 0.506 38.901 38.487 -0.152 0.000 0.978 424 N HN 0.411 nan 8.380 nan 0.000 0.448 425 G N 0.938 109.658 108.800 -0.133 0.000 2.697 425 G HA2 -0.179 3.782 3.960 0.002 0.000 0.686 425 G HA3 -0.179 3.782 3.960 0.002 0.000 0.686 425 G C 0.312 175.194 174.900 -0.031 0.000 1.179 425 G CA -0.219 44.834 45.100 -0.078 0.000 0.765 425 G HN 0.171 nan 8.290 nan 0.000 0.649 426 E N -0.116 119.857 120.200 -0.378 0.000 2.065 426 E HA -0.257 4.094 4.350 0.002 0.000 0.201 426 E C 2.057 178.547 176.600 -0.184 0.000 1.016 426 E CA 1.930 57.928 56.400 -0.671 0.000 0.818 426 E CB -0.031 29.015 29.700 -1.090 0.000 0.749 426 E HN 0.684 nan 8.360 nan 0.000 0.453 427 E N -0.083 120.028 120.200 -0.148 0.000 2.110 427 E HA -0.227 4.124 4.350 0.002 0.000 0.193 427 E C 1.983 178.586 176.600 0.005 0.000 0.988 427 E CA 1.015 57.376 56.400 -0.064 0.000 0.804 427 E CB 0.081 29.741 29.700 -0.066 0.000 0.745 427 E HN 0.260 nan 8.360 nan 0.000 0.458 428 E N -0.388 119.828 120.200 0.027 0.000 2.076 428 E HA -0.147 4.204 4.350 0.002 0.000 0.190 428 E C 1.855 178.562 176.600 0.178 0.000 0.979 428 E CA 0.549 56.994 56.400 0.074 0.000 0.807 428 E CB -0.255 29.462 29.700 0.027 0.000 0.761 428 E HN 0.349 nan 8.360 nan 0.000 0.454 429 Y N 2.825 123.184 120.300 0.099 0.000 2.097 429 Y HA -0.238 4.313 4.550 0.002 0.000 0.282 429 Y C 1.953 177.986 175.900 0.222 0.000 1.152 429 Y CA 1.747 59.978 58.100 0.220 0.000 1.136 429 Y CB -0.365 38.288 38.460 0.322 0.000 0.975 429 Y HN 0.026 nan 8.280 nan 0.000 0.498 430 N N 0.465 119.227 118.700 0.103 0.000 2.149 430 N HA -0.192 4.549 4.740 0.002 0.000 0.188 430 N C 1.907 177.399 175.510 -0.029 0.000 1.019 430 N CA 1.349 54.388 53.050 -0.019 0.000 0.857 430 N CB -0.397 38.099 38.487 0.014 0.000 0.997 430 N HN 0.407 nan 8.380 nan 0.000 0.426 431 K N -0.037 120.385 120.400 0.037 0.000 2.057 431 K HA -0.114 4.207 4.320 0.002 0.000 0.207 431 K C 1.922 178.587 176.600 0.109 0.000 1.049 431 K CA 0.691 57.011 56.287 0.055 0.000 0.931 431 K CB -0.222 32.327 32.500 0.082 0.000 0.714 431 K HN 0.055 nan 8.250 nan 0.000 0.440 432 F N 2.064 122.009 119.950 -0.008 0.000 2.075 432 F HA -0.181 4.347 4.527 0.002 0.000 0.297 432 F C 1.867 177.633 175.800 -0.056 0.000 1.113 432 F CA 1.322 59.349 58.000 0.046 0.000 1.218 432 F CB -0.518 38.499 39.000 0.029 0.000 0.984 432 F HN -0.052 nan 8.300 nan 0.000 0.472 433 L N -0.235 120.779 121.223 -0.349 0.000 2.127 433 L HA -0.241 4.100 4.340 0.002 0.000 0.211 433 L C 2.710 179.426 176.870 -0.256 0.000 1.089 433 L CA 1.076 55.659 54.840 -0.428 0.000 0.757 433 L CB -1.204 40.615 42.059 -0.400 0.000 0.899 433 L HN 0.301 nan 8.230 nan 0.000 0.434 434 A N 0.311 123.034 122.820 -0.161 0.000 1.845 434 A HA -0.237 4.084 4.320 0.002 0.000 0.215 434 A C 2.330 179.837 177.584 -0.128 0.000 1.195 434 A CA 1.766 53.735 52.037 -0.113 0.000 0.616 434 A CB -0.389 18.566 19.000 -0.075 0.000 0.832 434 A HN 0.284 nan 8.150 nan 0.000 0.443 435 K N -0.507 119.801 120.400 -0.153 0.000 2.032 435 K HA -0.116 4.205 4.320 0.002 0.000 0.209 435 K C 1.856 178.352 176.600 -0.175 0.000 1.048 435 K CA 1.665 57.808 56.287 -0.240 0.000 0.927 435 K CB -0.449 31.776 32.500 -0.460 0.000 0.712 435 K HN 0.534 nan 8.250 nan 0.000 0.441 436 I N 0.695 121.155 120.570 -0.182 0.000 2.194 436 I HA -0.318 3.853 4.170 0.002 0.000 0.246 436 I C 2.169 178.322 176.117 0.060 0.000 1.093 436 I CA 1.416 62.647 61.300 -0.116 0.000 1.355 436 I CB -0.177 37.565 38.000 -0.430 0.000 1.046 436 I HN 0.145 nan 8.210 nan 0.000 0.413 437 R N 0.370 120.838 120.500 -0.053 0.000 2.307 437 R HA -0.023 4.318 4.340 0.002 0.000 0.199 437 R C 1.822 178.109 176.300 -0.022 0.000 1.000 437 R CA 0.824 56.910 56.100 -0.025 0.000 1.023 437 R CB -0.089 30.175 30.300 -0.059 0.000 0.908 437 R HN 0.359 nan 8.270 nan 0.000 0.473 438 S N -0.210 115.468 115.700 -0.037 0.000 2.851 438 S HA 0.095 4.566 4.470 0.002 0.000 0.227 438 S C 0.401 174.980 174.600 -0.034 0.000 0.958 438 S CA -0.288 57.883 58.200 -0.050 0.000 0.990 438 S CB -0.549 62.599 63.200 -0.087 0.000 0.790 438 S HN 0.083 nan 8.310 nan 0.000 0.509 439 V N -4.926 114.982 119.914 -0.009 0.000 3.178 439 V HA 0.571 4.692 4.120 0.002 0.000 0.302 439 V C -2.626 173.445 176.094 -0.039 0.000 1.262 439 V CA -2.169 60.106 62.300 -0.041 0.000 1.030 439 V CB 1.186 32.952 31.823 -0.095 0.000 1.074 439 V HN -0.084 nan 8.190 nan 0.000 0.438 440 P HA -0.048 nan 4.420 nan 0.000 0.214 440 P C 1.764 179.040 177.300 -0.040 0.000 1.163 440 P CA 1.784 64.856 63.100 -0.047 0.000 0.889 440 P CB 0.200 31.867 31.700 -0.055 0.000 0.790 441 I N -0.681 119.839 120.570 -0.083 0.000 2.163 441 I HA -0.236 3.935 4.170 0.002 0.000 0.243 441 I C 2.512 178.657 176.117 0.047 0.000 1.085 441 I CA 1.910 63.172 61.300 -0.063 0.000 1.347 441 I CB -1.275 36.623 38.000 -0.170 0.000 1.044 441 I HN 0.029 nan 8.210 nan 0.000 0.408 442 G N 0.648 109.526 108.800 0.128 0.000 2.547 442 G HA2 -0.307 3.654 3.960 0.002 0.000 0.221 442 G HA3 -0.307 3.654 3.960 0.002 0.000 0.221 442 G C 1.727 176.683 174.900 0.094 0.000 1.140 442 G CA 0.829 46.086 45.100 0.262 0.000 0.760 442 G HN 0.362 nan 8.290 nan 0.000 0.583 443 R N 0.367 120.893 120.500 0.043 0.000 2.316 443 R HA 0.226 4.567 4.340 0.002 0.000 0.202 443 R C 2.565 178.874 176.300 0.015 0.000 1.029 443 R CA 0.574 56.683 56.100 0.014 0.000 1.018 443 R CB -0.044 30.255 30.300 -0.001 0.000 0.888 443 R HN 0.364 nan 8.270 nan 0.000 0.471 444 A N 0.591 123.427 122.820 0.026 0.000 2.218 444 A HA 0.142 4.463 4.320 0.002 0.000 0.209 444 A C 0.659 178.262 177.584 0.030 0.000 1.168 444 A CA 0.069 52.120 52.037 0.023 0.000 0.804 444 A CB 0.134 19.146 19.000 0.020 0.000 0.834 444 A HN 0.089 nan 8.150 nan 0.000 0.482 445 L N 0.643 121.890 121.223 0.040 0.000 2.292 445 L HA 0.276 4.617 4.340 0.002 0.000 0.284 445 L C -0.460 176.419 176.870 0.015 0.000 1.065 445 L CA -0.770 54.091 54.840 0.035 0.000 0.806 445 L CB 0.892 42.977 42.059 0.043 0.000 1.175 445 L HN 0.047 nan 8.230 nan 0.000 0.431 446 D N 4.415 124.824 120.400 0.015 0.000 2.359 446 D HA 0.327 4.968 4.640 0.002 0.000 0.250 446 D C -0.732 175.575 176.300 0.011 0.000 1.264 446 D CA 0.133 54.139 54.000 0.010 0.000 0.911 446 D CB 0.292 41.098 40.800 0.011 0.000 1.056 446 D HN 0.261 nan 8.370 nan 0.000 0.499 447 L N 4.949 126.176 121.223 0.008 0.000 2.329 447 L HA 0.518 4.859 4.340 0.002 0.000 0.279 447 L C -1.931 174.970 176.870 0.050 0.000 1.014 447 L CA -2.066 52.786 54.840 0.021 0.000 0.814 447 L CB 1.599 43.647 42.059 -0.019 0.000 1.257 447 L HN 0.239 nan 8.230 nan 0.000 0.424 448 P HA 0.161 nan 4.420 nan 0.000 0.271 448 P C -0.776 176.624 177.300 0.167 0.000 1.218 448 P CA -0.432 62.706 63.100 0.063 0.000 0.780 448 P CB 0.635 32.325 31.700 -0.016 0.000 0.901 449 E N 1.129 121.393 120.200 0.107 0.000 2.283 449 E HA 0.029 4.380 4.350 0.002 0.000 0.278 449 E C 0.823 177.509 176.600 0.143 0.000 1.027 449 E CA -0.425 56.088 56.400 0.189 0.000 0.843 449 E CB 0.371 30.142 29.700 0.119 0.000 1.062 449 E HN 0.477 nan 8.360 nan 0.000 0.401 450 Y N 3.403 123.812 120.300 0.182 0.000 2.096 450 Y HA -0.412 4.140 4.550 0.002 0.000 0.276 450 Y C 2.245 178.095 175.900 -0.082 0.000 1.209 450 Y CA 2.883 60.969 58.100 -0.025 0.000 1.137 450 Y CB -0.128 38.418 38.460 0.144 0.000 0.956 450 Y HN 0.585 nan 8.280 nan 0.000 0.506 451 S N -1.840 113.989 115.700 0.215 0.000 2.399 451 S HA -0.200 4.271 4.470 0.002 0.000 0.231 451 S C 1.804 176.391 174.600 -0.021 0.000 1.022 451 S CA 1.586 59.885 58.200 0.165 0.000 0.983 451 S CB -1.076 62.240 63.200 0.192 0.000 0.803 451 S HN 0.565 nan 8.310 nan 0.000 0.480 452 T N 3.043 117.541 114.554 -0.093 0.000 2.737 452 T HA 0.155 4.506 4.350 0.002 0.000 0.265 452 T C 1.769 176.278 174.700 -0.318 0.000 1.038 452 T CA 1.237 63.249 62.100 -0.147 0.000 1.144 452 T CB -0.491 68.308 68.868 -0.115 0.000 0.866 452 T HN 0.282 nan 8.240 nan 0.000 0.434 453 L N -0.432 120.450 121.223 -0.569 0.000 2.046 453 L HA -0.085 4.256 4.340 0.002 0.000 0.208 453 L C 2.467 178.615 176.870 -1.203 0.000 1.077 453 L CA 1.497 55.697 54.840 -1.065 0.000 0.747 453 L CB -0.508 40.523 42.059 -1.714 0.000 0.896 453 L HN 0.254 nan 8.230 nan 0.000 0.432 454 Y N 0.820 120.457 120.300 -1.103 0.000 2.220 454 Y HA -0.236 4.315 4.550 0.002 0.000 0.291 454 Y C 2.773 178.609 175.900 -0.107 0.000 1.129 454 Y CA 1.466 59.244 58.100 -0.537 0.000 1.161 454 Y CB -0.173 38.108 38.460 -0.299 0.000 0.997 454 Y HN -0.029 nan 8.280 nan 0.000 0.522 455 R N 0.574 120.983 120.500 -0.152 0.000 2.075 455 R HA -0.105 4.236 4.340 0.002 0.000 0.232 455 R C 2.493 178.701 176.300 -0.153 0.000 1.126 455 R CA 1.737 57.749 56.100 -0.146 0.000 0.963 455 R CB -0.507 29.751 30.300 -0.070 0.000 0.858 455 R HN 0.287 nan 8.270 nan 0.000 0.435 456 R N -1.262 119.138 120.500 -0.166 0.000 2.081 456 R HA -0.172 4.169 4.340 0.002 0.000 0.235 456 R C 1.846 178.111 176.300 -0.059 0.000 1.131 456 R CA 1.672 57.693 56.100 -0.130 0.000 0.960 456 R CB -0.516 29.684 30.300 -0.167 0.000 0.856 456 R HN 0.329 nan 8.270 nan 0.000 0.436 457 W N 1.313 122.475 121.300 -0.231 0.000 2.332 457 W HA -0.220 4.441 4.660 0.002 0.000 0.321 457 W C 1.665 178.148 176.519 -0.060 0.000 1.219 457 W CA 1.615 58.920 57.345 -0.066 0.000 1.277 457 W CB -0.701 28.892 29.460 0.222 0.000 1.161 457 W HN 0.032 nan 8.180 nan 0.000 0.476 458 L N 0.137 121.274 121.223 -0.144 0.000 2.012 458 L HA -0.273 4.068 4.340 0.002 0.000 0.210 458 L C 2.171 178.926 176.870 -0.192 0.000 1.073 458 L CA 1.936 56.595 54.840 -0.302 0.000 0.748 458 L CB -1.121 40.675 42.059 -0.437 0.000 0.891 458 L HN -0.081 nan 8.230 nan 0.000 0.431 459 D N -0.347 119.954 120.400 -0.165 0.000 2.178 459 D HA -0.146 4.495 4.640 0.002 0.000 0.201 459 D C 2.357 178.571 176.300 -0.143 0.000 0.980 459 D CA 1.509 55.434 54.000 -0.125 0.000 0.842 459 D CB -0.126 40.612 40.800 -0.102 0.000 0.948 459 D HN 0.350 nan 8.370 nan 0.000 0.472 460 S N -0.827 114.738 115.700 -0.226 0.000 2.507 460 S HA -0.079 4.392 4.470 0.002 0.000 0.235 460 S C 0.830 175.184 174.600 -0.410 0.000 0.988 460 S CA 0.116 58.130 58.200 -0.310 0.000 0.944 460 S CB -0.457 62.528 63.200 -0.359 0.000 0.762 460 S HN 0.063 nan 8.310 nan 0.000 0.526 461 F N 0.000 119.806 119.950 -0.240 0.000 2.286 461 F HA 0.000 4.528 4.527 0.002 0.000 0.279 461 F CA 0.000 57.874 58.000 -0.210 0.000 1.383 461 F CB 0.000 38.815 39.000 -0.308 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574