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 2g3n_1_F DATA FIRST_RESID 3 DATA SEQUENCE ILKIYENKGV YKVVIGEPFP PIEFPLEQKI SSNKSLSELG LTIVQQGNKV DATA SEQUENCE IVEKSLDLKE HIIGLGEKAF ELDRKRKRYV MYNVDAGAYK KYQDPLYVSI DATA SEQUENCE PLFISVKDGV ATGYFFNSAS KVIFDVGLEE YDKVIVTIPE DSVEFYVIEG DATA SEQUENCE PRIEDVLEKY TELTGKPFLP PMWAFGYMIS RYSYYPQDKV VELVDIMQKE DATA SEQUENCE GFRVAGVFLD IHYMDSYKLF TWHPYRFPEP KKLIDELHKR NVKLITIVDH DATA SEQUENCE GIRVDQNYSP FLSGMGKFCE IESGELFVGK MWPGTTVYPD FFREDTREWW DATA SEQUENCE AGLISEWLSQ GVDGIWLDMN EPTDFSRAIE IRDVLSSLPV QFRDDRLVTT DATA SEQUENCE FPDNVVHYLR GKRVKHEKVR NAYPLYEAMA TFKGFRTSHR NEIFILSRAG DATA SEQUENCE YAGIQRYAFI WTGDNTPSWD DLKLQLQLVL GLSISGVPFV GCDIGGFQGR DATA SEQUENCE NFAEIDNSMD LLVKYYALAL FFPFYRSHKA TDGIDTEPVF LPDYYKEKVK DATA SEQUENCE EIVELRYKFL PYIYSLALEA SEKGHPVIRP LFYEFQDDDD MYRIEDEYMV DATA SEQUENCE GKYLLYAPIV SKEESRLVTL PRGKWYNYWN GEIINGKSVV KSTHELPIYL DATA SEQUENCE REGSIIPLEG DELIVYGETS FKRYDNAEIT SSSNEIKFSR EIYVSKLTIT DATA SEQUENCE SEKPVSKIIV DDSKEIQVEK TMQNTYVAKI NQKIRGKINL E 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.133 176.117 0.027 0.000 1.063 3 I CA 0.000 61.312 61.300 0.021 0.000 1.566 3 I CB 0.000 38.015 38.000 0.025 0.000 1.214 4 L N 3.860 125.093 121.223 0.018 0.000 2.305 4 L HA 0.730 5.065 4.340 -0.009 0.000 0.284 4 L C -0.868 175.994 176.870 -0.012 0.000 1.013 4 L CA -0.616 54.234 54.840 0.018 0.000 0.819 4 L CB 1.554 43.631 42.059 0.030 0.000 1.227 4 L HN 0.368 nan 8.230 nan 0.000 0.417 5 K N 3.964 124.354 120.400 -0.015 0.000 2.352 5 K HA 0.781 5.095 4.320 -0.009 0.000 0.240 5 K C -1.166 175.370 176.600 -0.107 0.000 1.017 5 K CA -0.817 55.418 56.287 -0.087 0.000 0.851 5 K CB 3.029 35.470 32.500 -0.097 0.000 1.261 5 K HN 0.572 nan 8.250 nan 0.000 0.451 6 I N 1.836 122.266 120.570 -0.234 0.000 2.569 6 I HA 0.338 4.502 4.170 -0.009 0.000 0.290 6 I C -1.324 174.637 176.117 -0.259 0.000 1.088 6 I CA -0.844 60.369 61.300 -0.145 0.000 1.047 6 I CB 1.287 39.226 38.000 -0.102 0.000 1.237 6 I HN 0.488 nan 8.210 nan 0.000 0.421 7 Y N 3.142 123.420 120.300 -0.035 0.000 2.621 7 Y HA 0.662 5.206 4.550 -0.009 0.000 0.334 7 Y C 0.002 175.911 175.900 0.015 0.000 1.074 7 Y CA -0.867 57.226 58.100 -0.012 0.000 1.149 7 Y CB 1.610 40.049 38.460 -0.035 0.000 1.302 7 Y HN 0.526 nan 8.280 nan 0.000 0.501 8 E N 1.017 121.303 120.200 0.144 0.000 2.408 8 E HA 0.544 4.889 4.350 -0.009 0.000 0.275 8 E C -1.941 174.634 176.600 -0.042 0.000 0.935 8 E CA -0.808 55.580 56.400 -0.021 0.000 0.775 8 E CB 2.012 31.695 29.700 -0.028 0.000 1.277 8 E HN 0.553 nan 8.360 nan 0.000 0.455 9 N N 2.024 120.644 118.700 -0.134 0.000 3.429 9 N HA 0.139 4.873 4.740 -0.009 0.000 0.221 9 N C -1.780 173.652 175.510 -0.130 0.000 1.195 9 N CA -0.270 52.725 53.050 -0.091 0.000 0.938 9 N CB 0.413 38.877 38.487 -0.039 0.000 1.609 9 N HN 0.703 nan 8.380 nan 0.000 0.704 10 K N 2.843 123.171 120.400 -0.120 0.000 3.689 10 K HA -0.179 4.136 4.320 -0.009 0.000 0.276 10 K C 0.738 177.244 176.600 -0.156 0.000 0.932 10 K CA 0.974 57.192 56.287 -0.115 0.000 0.758 10 K CB -1.692 30.756 32.500 -0.086 0.000 1.500 10 K HN 1.093 nan 8.250 nan 0.000 0.448 11 G N -1.208 107.453 108.800 -0.232 0.000 2.155 11 G HA2 -0.311 3.644 3.960 -0.009 0.000 0.257 11 G HA3 -0.311 3.644 3.960 -0.009 0.000 0.257 11 G C 0.063 174.760 174.900 -0.338 0.000 0.983 11 G CA 0.183 45.117 45.100 -0.277 0.000 0.676 11 G HN 0.358 nan 8.290 nan 0.000 0.528 12 V N 0.840 120.535 119.914 -0.365 0.000 2.376 12 V HA 0.503 4.617 4.120 -0.009 0.000 0.287 12 V C -0.450 175.482 176.094 -0.269 0.000 1.015 12 V CA -1.164 61.005 62.300 -0.219 0.000 0.834 12 V CB 0.969 32.750 31.823 -0.070 0.000 1.001 12 V HN 0.237 nan 8.190 nan 0.000 0.428 13 Y N 3.395 123.702 120.300 0.011 0.000 2.383 13 Y HA 0.411 4.955 4.550 -0.010 0.000 0.344 13 Y C 0.542 176.382 175.900 -0.100 0.000 0.986 13 Y CA -0.485 57.594 58.100 -0.034 0.000 1.175 13 Y CB 1.083 39.499 38.460 -0.074 0.000 1.152 13 Y HN 0.481 nan 8.280 nan 0.000 0.511 14 K N 3.670 124.073 120.400 0.005 0.000 2.281 14 K HA 0.533 4.847 4.320 -0.009 0.000 0.272 14 K C -1.484 174.944 176.600 -0.288 0.000 1.048 14 K CA -0.448 55.652 56.287 -0.311 0.000 0.898 14 K CB 0.578 32.926 32.500 -0.254 0.000 1.128 14 K HN 0.503 nan 8.250 nan 0.000 0.460 15 V N 5.217 124.756 119.914 -0.625 0.000 2.383 15 V HA 0.242 4.356 4.120 -0.009 0.000 0.275 15 V C -0.345 175.471 176.094 -0.462 0.000 1.036 15 V CA -0.853 61.083 62.300 -0.606 0.000 0.889 15 V CB 1.418 32.549 31.823 -1.153 0.000 0.985 15 V HN 0.482 nan 8.190 nan 0.000 0.459 16 V N 6.358 126.177 119.914 -0.160 0.000 2.384 16 V HA 0.466 4.580 4.120 -0.009 0.000 0.287 16 V C -0.198 175.907 176.094 0.019 0.000 1.020 16 V CA -0.509 61.761 62.300 -0.049 0.000 0.850 16 V CB 1.649 33.496 31.823 0.040 0.000 0.987 16 V HN 0.580 nan 8.190 nan 0.000 0.436 17 I N 4.735 125.345 120.570 0.066 0.000 2.330 17 I HA 0.663 4.827 4.170 -0.009 0.000 0.289 17 I C 0.969 177.130 176.117 0.074 0.000 1.001 17 I CA 0.488 61.843 61.300 0.092 0.000 1.193 17 I CB 0.423 38.514 38.000 0.150 0.000 1.345 17 I HN 0.875 nan 8.210 nan 0.000 0.461 18 G N 7.415 116.250 108.800 0.058 0.000 2.528 18 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.262 18 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.262 18 G C -0.122 174.811 174.900 0.054 0.000 1.200 18 G CA -0.281 44.849 45.100 0.050 0.000 0.951 18 G HN 0.631 nan 8.290 nan 0.000 0.566 19 E N 1.680 121.913 120.200 0.055 0.000 2.916 19 E HA 0.422 4.766 4.350 -0.009 0.000 0.217 19 E C -2.528 174.125 176.600 0.089 0.000 1.100 19 E CA -1.508 54.930 56.400 0.065 0.000 0.891 19 E CB 1.513 31.246 29.700 0.054 0.000 1.311 19 E HN 0.304 nan 8.360 nan 0.000 0.421 20 P HA -0.005 nan 4.420 nan 0.000 0.269 20 P C -0.974 176.433 177.300 0.179 0.000 1.209 20 P CA -0.066 63.104 63.100 0.117 0.000 0.776 20 P CB 0.371 32.117 31.700 0.077 0.000 0.876 21 F N 3.482 123.439 119.950 0.012 0.000 2.564 21 F HA 0.388 4.909 4.527 -0.009 0.000 0.361 21 F C -2.402 173.405 175.800 0.011 0.000 1.161 21 F CA -2.769 55.233 58.000 0.003 0.000 1.198 21 F CB 0.425 39.417 39.000 -0.013 0.000 1.424 21 F HN 0.178 nan 8.300 nan 0.000 0.517 22 P HA 0.087 nan 4.420 nan 0.000 0.267 22 P C -1.960 175.249 177.300 -0.153 0.000 1.200 22 P CA -0.884 62.165 63.100 -0.085 0.000 0.772 22 P CB 0.340 32.001 31.700 -0.066 0.000 0.855 23 P HA -0.032 nan 4.420 nan 0.000 0.220 23 P C 0.343 177.706 177.300 0.106 0.000 1.148 23 P CA 1.425 64.538 63.100 0.021 0.000 0.803 23 P CB 0.599 32.294 31.700 -0.008 0.000 0.782 24 I N -1.521 119.036 120.570 -0.022 0.000 2.775 24 I HA 0.266 4.431 4.170 -0.009 0.000 0.295 24 I C -1.433 174.433 176.117 -0.418 0.000 1.287 24 I CA -1.000 60.210 61.300 -0.150 0.000 1.029 24 I CB 3.005 40.856 38.000 -0.249 0.000 1.282 24 I HN -0.327 nan 8.210 nan 0.000 0.426 25 E N 6.115 126.098 120.200 -0.361 0.000 2.174 25 E HA 0.336 4.681 4.350 -0.009 0.000 0.282 25 E C -1.659 174.729 176.600 -0.352 0.000 0.992 25 E CA -0.467 55.756 56.400 -0.295 0.000 0.803 25 E CB 1.316 30.928 29.700 -0.148 0.000 1.090 25 E HN 0.258 nan 8.360 nan 0.000 0.396 26 F N 4.580 124.564 119.950 0.056 0.000 2.334 26 F HA 0.242 4.763 4.527 -0.009 0.000 0.367 26 F C -1.666 174.134 175.800 0.001 0.000 1.115 26 F CA -2.890 55.112 58.000 0.005 0.000 1.116 26 F CB 0.678 39.664 39.000 -0.025 0.000 1.230 26 F HN 0.226 nan 8.300 nan 0.000 0.484 27 P HA 0.086 nan 4.420 nan 0.000 0.266 27 P C -0.847 176.484 177.300 0.052 0.000 1.215 27 P CA -0.138 63.002 63.100 0.065 0.000 0.763 27 P CB 1.548 33.269 31.700 0.035 0.000 0.806 28 L N 3.771 125.020 121.223 0.043 0.000 2.301 28 L HA 0.218 4.553 4.340 -0.009 0.000 0.278 28 L C 1.186 178.057 176.870 0.003 0.000 1.022 28 L CA -0.323 54.534 54.840 0.028 0.000 0.854 28 L CB 0.379 42.477 42.059 0.064 0.000 1.226 28 L HN 0.367 nan 8.230 nan 0.000 0.429 29 E N 2.391 122.588 120.200 -0.005 0.000 3.533 29 E HA -0.205 4.140 4.350 -0.009 0.000 0.478 29 E C -0.215 176.385 176.600 -0.000 0.000 0.791 29 E CA 1.031 57.428 56.400 -0.006 0.000 3.034 29 E CB -0.081 29.611 29.700 -0.013 0.000 0.943 29 E HN 0.607 nan 8.360 nan 0.000 0.476 30 Q N 2.450 122.249 119.800 -0.001 0.000 2.442 30 Q HA -0.055 4.280 4.340 -0.009 0.000 0.244 30 Q C 0.843 176.855 176.000 0.021 0.000 1.302 30 Q CA 0.097 55.905 55.803 0.008 0.000 0.889 30 Q CB -0.038 28.701 28.738 0.001 0.000 1.578 30 Q HN 0.263 nan 8.270 nan 0.000 0.526 31 K N 3.219 123.643 120.400 0.041 0.000 1.993 31 K HA -0.013 4.301 4.320 -0.009 0.000 0.220 31 K C 0.779 177.454 176.600 0.124 0.000 1.014 31 K CA 0.493 56.835 56.287 0.092 0.000 1.028 31 K CB -0.424 32.141 32.500 0.110 0.000 0.862 31 K HN 0.587 nan 8.250 nan 0.000 0.446 32 I N -1.339 119.332 120.570 0.168 0.000 8.454 32 I HA -0.220 3.945 4.170 -0.009 0.000 0.127 32 I C -0.587 175.569 176.117 0.065 0.000 1.857 32 I CA 0.090 61.450 61.300 0.100 0.000 2.037 32 I CB -1.064 36.964 38.000 0.046 0.000 3.834 32 I HN 0.765 nan 8.210 nan 0.000 0.169 33 S N 4.396 120.061 115.700 -0.058 0.000 2.579 33 S HA 0.507 4.971 4.470 -0.009 0.000 0.275 33 S C 0.167 174.710 174.600 -0.095 0.000 1.345 33 S CA 0.087 58.157 58.200 -0.216 0.000 1.031 33 S CB 1.653 64.700 63.200 -0.255 0.000 0.892 33 S HN 1.431 nan 8.310 nan 0.000 0.529 34 S N 0.934 116.579 115.700 -0.092 0.000 2.554 34 S HA 0.283 4.747 4.470 -0.009 0.000 0.278 34 S C 0.720 175.309 174.600 -0.018 0.000 1.242 34 S CA -0.932 57.275 58.200 0.010 0.000 1.051 34 S CB 0.127 63.393 63.200 0.110 0.000 0.986 34 S HN 0.707 nan 8.310 nan 0.000 0.502 35 N N 2.523 121.229 118.700 0.010 0.000 2.398 35 N HA 0.071 4.805 4.740 -0.009 0.000 0.188 35 N C -0.316 175.181 175.510 -0.023 0.000 1.122 35 N CA 0.177 53.221 53.050 -0.010 0.000 0.866 35 N CB 0.176 38.664 38.487 0.003 0.000 0.970 35 N HN 0.405 nan 8.380 nan 0.000 0.462 36 K N 1.236 121.617 120.400 -0.033 0.000 2.098 36 K HA 0.273 4.587 4.320 -0.009 0.000 0.257 36 K C 0.644 177.181 176.600 -0.106 0.000 0.999 36 K CA -0.181 56.045 56.287 -0.101 0.000 0.924 36 K CB 1.360 33.712 32.500 -0.247 0.000 1.028 36 K HN 0.078 nan 8.250 nan 0.000 0.466 37 S N 0.439 116.076 115.700 -0.106 0.000 2.638 37 S HA 0.339 4.803 4.470 -0.009 0.000 0.302 37 S C 0.904 175.458 174.600 -0.076 0.000 1.096 37 S CA -0.784 57.370 58.200 -0.076 0.000 0.953 37 S CB 0.968 64.138 63.200 -0.049 0.000 1.107 37 S HN 0.239 nan 8.310 nan 0.000 0.503 38 L N 1.848 123.048 121.223 -0.038 0.000 2.017 38 L HA -0.010 4.324 4.340 -0.009 0.000 0.208 38 L C 2.911 179.783 176.870 0.004 0.000 1.073 38 L CA 2.103 56.942 54.840 -0.000 0.000 0.745 38 L CB -1.752 40.328 42.059 0.035 0.000 0.894 38 L HN 0.978 nan 8.230 nan 0.000 0.432 39 S N -0.955 114.743 115.700 -0.003 0.000 2.370 39 S HA -0.218 4.247 4.470 -0.009 0.000 0.226 39 S C 1.932 176.526 174.600 -0.009 0.000 1.033 39 S CA 1.473 59.672 58.200 -0.000 0.000 1.011 39 S CB -0.061 63.137 63.200 -0.004 0.000 0.852 39 S HN 0.495 nan 8.310 nan 0.000 0.457 40 E N -0.077 120.104 120.200 -0.030 0.000 2.051 40 E HA -0.109 4.236 4.350 -0.009 0.000 0.192 40 E C 1.794 178.366 176.600 -0.047 0.000 0.991 40 E CA 1.050 57.424 56.400 -0.043 0.000 0.799 40 E CB -0.179 29.478 29.700 -0.072 0.000 0.748 40 E HN 0.309 nan 8.360 nan 0.000 0.449 41 L N -0.212 120.972 121.223 -0.066 0.000 2.549 41 L HA 0.004 4.338 4.340 -0.009 0.000 0.229 41 L C 1.342 178.246 176.870 0.057 0.000 1.158 41 L CA 1.531 56.343 54.840 -0.046 0.000 0.842 41 L CB -0.637 41.380 42.059 -0.070 0.000 0.952 41 L HN 0.315 nan 8.230 nan 0.000 0.452 42 G N -0.665 108.161 108.800 0.044 0.000 2.176 42 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.252 42 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.252 42 G C 0.162 175.108 174.900 0.077 0.000 1.024 42 G CA 0.489 45.624 45.100 0.060 0.000 0.755 42 G HN 0.316 nan 8.290 nan 0.000 0.507 43 L N -0.452 120.825 121.223 0.088 0.000 2.333 43 L HA 0.801 5.136 4.340 -0.009 0.000 0.269 43 L C 0.174 177.090 176.870 0.076 0.000 1.010 43 L CA -0.936 53.968 54.840 0.106 0.000 0.818 43 L CB 2.410 44.590 42.059 0.202 0.000 1.306 43 L HN 0.089 nan 8.230 nan 0.000 0.430 44 T N 2.617 117.206 114.554 0.059 0.000 2.861 44 T HA 0.687 5.031 4.350 -0.009 0.000 0.287 44 T C -0.554 174.173 174.700 0.045 0.000 1.003 44 T CA -0.316 61.808 62.100 0.039 0.000 0.977 44 T CB 1.634 70.510 68.868 0.013 0.000 0.996 44 T HN 0.274 nan 8.240 nan 0.000 0.448 45 I N 2.417 123.017 120.570 0.050 0.000 2.582 45 I HA 0.649 4.814 4.170 -0.009 0.000 0.292 45 I C -0.965 175.169 176.117 0.029 0.000 1.066 45 I CA -1.125 60.207 61.300 0.053 0.000 1.053 45 I CB 2.312 40.379 38.000 0.112 0.000 1.241 45 I HN 0.253 nan 8.210 nan 0.000 0.421 46 V N 5.062 124.983 119.914 0.012 0.000 2.709 46 V HA 0.388 4.503 4.120 -0.009 0.000 0.308 46 V C -0.730 175.364 176.094 0.000 0.000 1.062 46 V CA -0.612 61.688 62.300 0.001 0.000 0.901 46 V CB 2.181 33.995 31.823 -0.015 0.000 1.003 46 V HN 0.681 nan 8.190 nan 0.000 0.425 47 Q N 3.323 123.125 119.800 0.003 0.000 2.333 47 Q HA 0.601 4.936 4.340 -0.009 0.000 0.268 47 Q C -0.738 175.258 176.000 -0.007 0.000 1.007 47 Q CA -0.387 55.417 55.803 0.002 0.000 0.810 47 Q CB 2.707 31.452 28.738 0.013 0.000 1.264 47 Q HN 0.737 nan 8.270 nan 0.000 0.452 48 Q N 0.240 120.031 119.800 -0.015 0.000 3.331 48 Q HA 0.432 4.766 4.340 -0.009 0.000 0.279 48 Q C 0.162 176.150 176.000 -0.020 0.000 1.025 48 Q CA -0.979 54.812 55.803 -0.019 0.000 0.743 48 Q CB 0.450 29.172 28.738 -0.027 0.000 2.725 48 Q HN 0.749 nan 8.270 nan 0.000 0.380 49 G N 2.133 110.918 108.800 -0.025 0.000 2.635 49 G HA2 -0.043 3.911 3.960 -0.009 0.000 0.289 49 G HA3 -0.043 3.911 3.960 -0.009 0.000 0.289 49 G C -0.037 174.846 174.900 -0.028 0.000 0.705 49 G CA 0.137 45.222 45.100 -0.026 0.000 2.034 49 G HN 0.561 nan 8.290 nan 0.000 0.519 50 N N -0.035 118.652 118.700 -0.022 0.000 2.725 50 N HA -0.155 4.579 4.740 -0.009 0.000 0.249 50 N C 0.052 175.547 175.510 -0.025 0.000 1.103 50 N CA 1.513 54.550 53.050 -0.021 0.000 0.707 50 N CB -0.573 37.899 38.487 -0.026 0.000 1.043 50 N HN 0.640 nan 8.380 nan 0.000 0.553 51 K N -0.311 120.073 120.400 -0.026 0.000 2.477 51 K HA 0.634 4.948 4.320 -0.009 0.000 0.255 51 K C -0.680 175.902 176.600 -0.030 0.000 0.952 51 K CA -0.686 55.579 56.287 -0.036 0.000 0.826 51 K CB 2.747 35.215 32.500 -0.053 0.000 1.331 51 K HN -0.166 nan 8.250 nan 0.000 0.437 52 V N 3.404 123.296 119.914 -0.037 0.000 2.487 52 V HA 0.465 4.580 4.120 -0.009 0.000 0.298 52 V C -0.578 175.469 176.094 -0.077 0.000 1.028 52 V CA -0.761 61.523 62.300 -0.027 0.000 0.860 52 V CB 1.468 33.301 31.823 0.017 0.000 0.991 52 V HN 0.600 nan 8.190 nan 0.000 0.427 53 I N 5.102 125.629 120.570 -0.073 0.000 2.362 53 I HA 0.515 4.679 4.170 -0.009 0.000 0.289 53 I C -0.680 175.376 176.117 -0.101 0.000 0.994 53 I CA -0.802 60.430 61.300 -0.114 0.000 1.158 53 I CB 1.982 39.926 38.000 -0.093 0.000 1.315 53 I HN 0.254 nan 8.210 nan 0.000 0.451 54 V N 6.150 125.967 119.914 -0.162 0.000 2.409 54 V HA 0.369 4.483 4.120 -0.009 0.000 0.291 54 V C -0.130 175.897 176.094 -0.112 0.000 1.020 54 V CA -0.593 61.633 62.300 -0.122 0.000 0.848 54 V CB 1.624 33.334 31.823 -0.188 0.000 0.990 54 V HN 0.701 nan 8.190 nan 0.000 0.430 55 E N 3.527 123.694 120.200 -0.054 0.000 2.207 55 E HA 0.668 5.012 4.350 -0.009 0.000 0.270 55 E C -0.796 175.790 176.600 -0.023 0.000 0.927 55 E CA -0.851 55.518 56.400 -0.052 0.000 0.799 55 E CB 2.795 32.468 29.700 -0.045 0.000 1.172 55 E HN 0.521 nan 8.360 nan 0.000 0.404 56 K N 0.924 121.300 120.400 -0.039 0.000 2.502 56 K HA 0.304 4.618 4.320 -0.009 0.000 0.257 56 K C -0.818 175.757 176.600 -0.041 0.000 0.938 56 K CA -0.596 55.673 56.287 -0.031 0.000 0.819 56 K CB 1.794 34.255 32.500 -0.064 0.000 1.333 56 K HN 0.629 nan 8.250 nan 0.000 0.434 57 S N 2.170 117.855 115.700 -0.025 0.000 2.614 57 S HA 0.479 4.943 4.470 -0.009 0.000 0.265 57 S C -0.497 174.072 174.600 -0.052 0.000 1.303 57 S CA -0.746 57.433 58.200 -0.034 0.000 1.000 57 S CB 0.976 64.165 63.200 -0.018 0.000 0.935 57 S HN 0.455 nan 8.310 nan 0.000 0.551 58 L N 1.710 122.889 121.223 -0.074 0.000 2.441 58 L HA 0.536 4.871 4.340 -0.009 0.000 0.270 58 L C -1.450 175.353 176.870 -0.112 0.000 0.973 58 L CA -0.282 54.492 54.840 -0.110 0.000 0.842 58 L CB 1.650 43.612 42.059 -0.162 0.000 1.239 58 L HN 0.728 nan 8.230 nan 0.000 0.406 59 D N 4.051 124.387 120.400 -0.106 0.000 2.312 59 D HA 0.240 4.874 4.640 -0.009 0.000 0.248 59 D C 1.408 177.626 176.300 -0.136 0.000 1.086 59 D CA -0.338 53.605 54.000 -0.096 0.000 0.948 59 D CB 1.661 42.413 40.800 -0.080 0.000 1.162 59 D HN 0.528 nan 8.370 nan 0.000 0.446 60 L N 0.555 121.724 121.223 -0.091 0.000 2.043 60 L HA -0.205 4.129 4.340 -0.009 0.000 0.212 60 L C 2.004 178.785 176.870 -0.148 0.000 1.075 60 L CA 1.263 56.051 54.840 -0.087 0.000 0.752 60 L CB -0.230 41.823 42.059 -0.011 0.000 0.891 60 L HN 0.172 nan 8.230 nan 0.000 0.432 61 K N 0.125 120.423 120.400 -0.171 0.000 2.444 61 K HA 0.056 4.370 4.320 -0.009 0.000 0.193 61 K C 0.364 176.647 176.600 -0.527 0.000 1.024 61 K CA 0.026 56.151 56.287 -0.271 0.000 1.077 61 K CB 0.016 32.414 32.500 -0.170 0.000 0.833 61 K HN 0.353 nan 8.250 nan 0.000 0.517 62 E N 1.424 121.378 120.200 -0.409 0.000 2.360 62 E HA -0.014 4.331 4.350 -0.009 0.000 0.269 62 E C -0.679 175.583 176.600 -0.564 0.000 1.022 62 E CA -0.106 56.037 56.400 -0.429 0.000 0.887 62 E CB 0.507 30.078 29.700 -0.215 0.000 0.990 62 E HN 0.118 nan 8.360 nan 0.000 0.426 63 H N 4.174 123.082 119.070 -0.271 0.000 2.472 63 H HA 0.359 4.909 4.556 -0.009 0.000 0.338 63 H C -0.269 174.951 175.328 -0.179 0.000 1.133 63 H CA -0.651 55.190 56.048 -0.343 0.000 1.216 63 H CB 1.013 30.309 29.762 -0.777 0.000 1.497 63 H HN 0.366 nan 8.280 nan 0.000 0.500 64 I N 4.951 125.504 120.570 -0.029 0.000 2.418 64 I HA 0.300 4.465 4.170 -0.009 0.000 0.287 64 I C 0.533 176.635 176.117 -0.024 0.000 1.008 64 I CA -0.497 60.792 61.300 -0.020 0.000 1.104 64 I CB 1.309 39.218 38.000 -0.152 0.000 1.264 64 I HN 0.530 nan 8.210 nan 0.000 0.438 65 I N 1.978 122.568 120.570 0.034 0.000 3.145 65 I HA 1.031 5.195 4.170 -0.009 0.000 0.313 65 I C 0.345 176.485 176.117 0.039 0.000 1.122 65 I CA -0.545 60.766 61.300 0.019 0.000 0.987 65 I CB 2.449 40.455 38.000 0.010 0.000 1.236 65 I HN 0.690 nan 8.210 nan 0.000 0.453 66 G N 2.327 111.130 108.800 0.005 0.000 2.443 66 G HA2 -0.108 3.847 3.960 -0.009 0.000 0.209 66 G HA3 -0.108 3.847 3.960 -0.009 0.000 0.209 66 G C 0.091 174.887 174.900 -0.174 0.000 1.176 66 G CA -0.308 44.756 45.100 -0.060 0.000 1.074 66 G HN 1.434 nan 8.290 nan 0.000 0.577 67 L N 0.061 121.144 121.223 -0.233 0.000 4.759 67 L HA -0.154 4.180 4.340 -0.009 0.000 0.419 67 L C 2.121 178.867 176.870 -0.206 0.000 1.093 67 L CA 1.664 56.302 54.840 -0.337 0.000 1.037 67 L CB -1.750 39.966 42.059 -0.573 0.000 2.095 67 L HN 2.983 nan 8.230 nan 0.000 0.739 68 G N 0.387 109.096 108.800 -0.150 0.000 2.556 68 G HA2 -0.388 3.566 3.960 -0.009 0.000 0.283 68 G HA3 -0.388 3.566 3.960 -0.009 0.000 0.283 68 G C -0.029 174.831 174.900 -0.066 0.000 1.177 68 G CA 0.627 45.666 45.100 -0.101 0.000 0.978 68 G HN 0.489 nan 8.290 nan 0.000 0.554 69 E N 1.592 121.767 120.200 -0.042 0.000 1.858 69 E HA 0.354 4.699 4.350 -0.009 0.000 0.267 69 E C -0.371 176.235 176.600 0.010 0.000 1.215 69 E CA -0.076 56.310 56.400 -0.024 0.000 0.952 69 E CB -0.088 29.597 29.700 -0.026 0.000 1.058 69 E HN 0.231 nan 8.360 nan 0.000 0.407 70 K N 1.757 122.193 120.400 0.060 0.000 2.345 70 K HA 0.327 4.641 4.320 -0.009 0.000 0.255 70 K C -0.572 176.189 176.600 0.268 0.000 0.934 70 K CA -0.750 55.664 56.287 0.212 0.000 0.801 70 K CB 1.989 34.624 32.500 0.226 0.000 1.137 70 K HN 0.336 nan 8.250 nan 0.000 0.424 71 A N 3.844 126.835 122.820 0.285 0.000 3.033 71 A HA 0.384 4.698 4.320 -0.009 0.000 0.250 71 A C -0.695 176.804 177.584 -0.140 0.000 1.633 71 A CA 0.165 52.225 52.037 0.037 0.000 1.290 71 A CB -0.894 18.054 19.000 -0.085 0.000 1.048 71 A HN 0.491 nan 8.150 nan 0.000 0.648 72 F N -1.617 118.462 119.950 0.216 0.000 2.692 72 F HA 0.473 4.994 4.527 -0.009 0.000 0.320 72 F C 0.130 176.070 175.800 0.233 0.000 1.123 72 F CA -1.196 56.995 58.000 0.318 0.000 0.961 72 F CB 0.956 40.183 39.000 0.377 0.000 1.383 72 F HN 0.055 nan 8.300 nan 0.000 0.483 73 E N 0.723 121.205 120.200 0.470 0.000 2.437 73 E HA 0.061 4.405 4.350 -0.009 0.000 0.263 73 E C 0.734 177.498 176.600 0.273 0.000 1.030 73 E CA 0.020 56.608 56.400 0.314 0.000 0.934 73 E CB 0.190 30.061 29.700 0.285 0.000 0.943 73 E HN 0.379 nan 8.360 nan 0.000 0.444 74 L N 1.276 122.644 121.223 0.240 0.000 2.079 74 L HA -0.124 4.211 4.340 -0.009 0.000 0.210 74 L C 0.735 177.708 176.870 0.171 0.000 1.081 74 L CA 1.609 56.595 54.840 0.245 0.000 0.752 74 L CB -0.624 41.668 42.059 0.389 0.000 0.896 74 L HN 0.566 nan 8.230 nan 0.000 0.433 75 D N -0.121 120.374 120.400 0.159 0.000 2.339 75 D HA 0.012 4.646 4.640 -0.009 0.000 0.241 75 D C 0.812 177.167 176.300 0.091 0.000 1.183 75 D CA -0.217 53.838 54.000 0.092 0.000 0.859 75 D CB 0.825 41.698 40.800 0.122 0.000 1.067 75 D HN -0.008 nan 8.370 nan 0.000 0.484 76 R N 2.972 123.486 120.500 0.023 0.000 2.323 76 R HA 0.035 4.369 4.340 -0.009 0.000 0.198 76 R C 0.462 176.809 176.300 0.078 0.000 0.988 76 R CA 0.058 56.182 56.100 0.039 0.000 1.041 76 R CB -0.330 29.840 30.300 -0.217 0.000 0.926 76 R HN 0.362 nan 8.270 nan 0.000 0.476 77 K N 1.609 122.008 120.400 -0.001 0.000 2.440 77 K HA 0.013 4.328 4.320 -0.009 0.000 0.270 77 K C 0.333 176.902 176.600 -0.052 0.000 0.980 77 K CA -0.068 56.183 56.287 -0.060 0.000 0.953 77 K CB 0.397 32.829 32.500 -0.113 0.000 0.925 77 K HN -0.111 nan 8.250 nan 0.000 0.497 78 R N -0.077 120.359 120.500 -0.106 0.000 3.305 78 R HA -0.148 4.186 4.340 -0.009 0.000 0.268 78 R C -0.914 175.290 176.300 -0.159 0.000 1.087 78 R CA 0.526 56.562 56.100 -0.105 0.000 0.725 78 R CB -2.076 28.191 30.300 -0.055 0.000 1.233 78 R HN 0.666 nan 8.270 nan 0.000 0.416 79 K N 0.142 120.396 120.400 -0.242 0.000 2.578 79 K HA 0.411 4.725 4.320 -0.009 0.000 0.269 79 K C -1.241 175.028 176.600 -0.551 0.000 0.941 79 K CA -0.790 55.191 56.287 -0.511 0.000 0.847 79 K CB 1.469 33.403 32.500 -0.943 0.000 1.397 79 K HN 0.216 nan 8.250 nan 0.000 0.422 80 R N 3.783 123.955 120.500 -0.547 0.000 2.239 80 R HA 0.356 4.690 4.340 -0.009 0.000 0.332 80 R C -1.095 174.946 176.300 -0.432 0.000 0.988 80 R CA -0.377 55.518 56.100 -0.342 0.000 0.859 80 R CB 0.254 30.430 30.300 -0.207 0.000 1.148 80 R HN 0.560 nan 8.270 nan 0.000 0.482 81 Y N 2.376 122.608 120.300 -0.114 0.000 2.320 81 Y HA 0.363 4.907 4.550 -0.010 0.000 0.324 81 Y C 0.204 176.121 175.900 0.028 0.000 1.190 81 Y CA -0.693 57.361 58.100 -0.077 0.000 1.215 81 Y CB 1.756 40.160 38.460 -0.094 0.000 1.221 81 Y HN 0.148 nan 8.280 nan 0.000 0.486 82 V N 4.764 124.786 119.914 0.181 0.000 2.495 82 V HA 0.323 4.438 4.120 -0.009 0.000 0.298 82 V C -0.312 175.911 176.094 0.214 0.000 1.031 82 V CA -0.976 61.414 62.300 0.151 0.000 0.871 82 V CB 1.532 33.400 31.823 0.074 0.000 0.988 82 V HN 0.645 nan 8.190 nan 0.000 0.432 83 M N 5.833 125.584 119.600 0.252 0.000 2.152 83 M HA 0.435 4.910 4.480 -0.009 0.000 0.354 83 M C -1.238 175.267 176.300 0.341 0.000 1.173 83 M CA -0.278 55.192 55.300 0.283 0.000 1.110 83 M CB -0.149 32.663 32.600 0.355 0.000 1.366 83 M HN 0.691 nan 8.290 nan 0.000 0.415 84 Y N 2.560 122.911 120.300 0.084 0.000 2.287 84 Y HA 0.323 4.867 4.550 -0.010 0.000 0.325 84 Y C -0.558 175.359 175.900 0.027 0.000 1.139 84 Y CA -1.314 56.814 58.100 0.048 0.000 1.167 84 Y CB 0.937 39.414 38.460 0.029 0.000 1.158 84 Y HN 0.557 nan 8.280 nan 0.000 0.434 85 N N 3.226 121.845 118.700 -0.136 0.000 2.359 85 N HA 0.216 4.950 4.740 -0.009 0.000 0.261 85 N C -0.794 174.619 175.510 -0.161 0.000 1.267 85 N CA 0.447 53.425 53.050 -0.120 0.000 0.864 85 N CB 1.133 39.538 38.487 -0.137 0.000 1.063 85 N HN 0.395 nan 8.380 nan 0.000 0.474 86 V N 1.707 121.565 119.914 -0.093 0.000 3.012 86 V HA 0.162 4.276 4.120 -0.009 0.000 0.307 86 V C -1.135 174.897 176.094 -0.104 0.000 1.166 86 V CA -1.031 61.218 62.300 -0.085 0.000 0.974 86 V CB 2.395 34.204 31.823 -0.023 0.000 1.040 86 V HN 0.629 nan 8.190 nan 0.000 0.428 87 D N 4.633 125.018 120.400 -0.026 0.000 2.348 87 D HA 0.242 4.876 4.640 -0.009 0.000 0.259 87 D C 0.870 177.170 176.300 0.000 0.000 1.296 87 D CA 0.552 54.606 54.000 0.089 0.000 0.931 87 D CB 1.729 42.604 40.800 0.125 0.000 1.067 87 D HN 0.755 nan 8.370 nan 0.000 0.503 88 A N 3.511 126.177 122.820 -0.257 0.000 2.209 88 A HA 0.299 4.613 4.320 -0.009 0.000 0.212 88 A C 1.480 179.137 177.584 0.122 0.000 1.158 88 A CA 0.987 52.929 52.037 -0.158 0.000 0.742 88 A CB -0.556 18.183 19.000 -0.436 0.000 0.790 88 A HN 0.885 nan 8.150 nan 0.000 0.472 89 G N -0.796 108.150 108.800 0.245 0.000 2.566 89 G HA2 0.055 4.010 3.960 -0.009 0.000 0.280 89 G HA3 0.055 4.010 3.960 -0.009 0.000 0.280 89 G C 0.595 175.677 174.900 0.305 0.000 1.225 89 G CA 0.222 45.495 45.100 0.289 0.000 0.966 89 G HN 1.709 nan 8.290 nan 0.000 0.560 90 A N 0.699 123.643 122.820 0.207 0.000 3.037 90 A HA 0.609 4.924 4.320 -0.009 0.000 0.272 90 A C 0.388 177.994 177.584 0.037 0.000 1.723 90 A CA 0.596 52.710 52.037 0.127 0.000 1.413 90 A CB -1.309 17.739 19.000 0.081 0.000 1.112 90 A HN 1.845 nan 8.150 nan 0.000 0.606 91 Y N -0.357 120.010 120.300 0.113 0.000 2.550 91 Y HA 0.453 4.998 4.550 -0.009 0.000 0.343 91 Y C 0.207 176.140 175.900 0.055 0.000 1.245 91 Y CA -0.330 57.801 58.100 0.053 0.000 1.462 91 Y CB 0.465 38.935 38.460 0.016 0.000 1.340 91 Y HN 0.414 nan 8.280 nan 0.000 0.604 92 K N 1.961 122.480 120.400 0.199 0.000 2.346 92 K HA 0.364 4.679 4.320 -0.009 0.000 0.238 92 K C -0.992 175.651 176.600 0.070 0.000 1.039 92 K CA -1.469 54.873 56.287 0.093 0.000 0.861 92 K CB 1.658 34.178 32.500 0.032 0.000 1.278 92 K HN 0.742 nan 8.250 nan 0.000 0.460 93 K N 0.296 120.644 120.400 -0.087 0.000 2.319 93 K HA 0.030 4.344 4.320 -0.009 0.000 0.265 93 K C -0.775 175.587 176.600 -0.398 0.000 1.000 93 K CA -0.102 55.981 56.287 -0.339 0.000 0.943 93 K CB 0.162 32.302 32.500 -0.600 0.000 0.950 93 K HN 0.579 nan 8.250 nan 0.000 0.485 94 Y N -2.529 117.458 120.300 -0.522 0.000 4.841 94 Y HA -0.276 4.269 4.550 -0.009 0.000 0.242 94 Y C -0.055 175.697 175.900 -0.247 0.000 1.002 94 Y CA 1.091 58.696 58.100 -0.826 0.000 2.011 94 Y CB -2.489 35.727 38.460 -0.407 0.000 1.554 94 Y HN 0.827 nan 8.280 nan 0.000 0.618 95 Q N 1.152 120.962 119.800 0.017 0.000 2.243 95 Q HA 0.492 4.826 4.340 -0.009 0.000 0.252 95 Q C -0.683 175.444 176.000 0.212 0.000 0.909 95 Q CA -0.344 55.536 55.803 0.129 0.000 0.922 95 Q CB 1.361 30.163 28.738 0.107 0.000 1.215 95 Q HN 0.293 nan 8.270 nan 0.000 0.427 96 D N 3.266 123.797 120.400 0.220 0.000 2.837 96 D HA 0.441 5.075 4.640 -0.009 0.000 0.220 96 D C -2.574 173.799 176.300 0.122 0.000 1.236 96 D CA -1.152 52.979 54.000 0.218 0.000 0.838 96 D CB 1.699 42.689 40.800 0.316 0.000 1.647 96 D HN 0.363 nan 8.370 nan 0.000 0.486 97 P HA 0.474 nan 4.420 nan 0.000 0.284 97 P C -0.627 176.657 177.300 -0.027 0.000 1.292 97 P CA -0.606 62.544 63.100 0.084 0.000 0.800 97 P CB 1.474 33.243 31.700 0.116 0.000 1.188 98 L N -1.671 119.500 121.223 -0.087 0.000 2.670 98 L HA 0.320 4.655 4.340 -0.009 0.000 0.251 98 L C 2.034 178.739 176.870 -0.275 0.000 1.548 98 L CA -0.751 53.900 54.840 -0.315 0.000 1.643 98 L CB -0.283 41.575 42.059 -0.336 0.000 2.174 98 L HN 0.253 nan 8.230 nan 0.000 0.585 99 Y N -0.516 119.713 120.300 -0.120 0.000 2.314 99 Y HA 0.044 4.588 4.550 -0.010 0.000 0.293 99 Y C 0.713 176.561 175.900 -0.087 0.000 1.129 99 Y CA 0.190 58.217 58.100 -0.120 0.000 1.201 99 Y CB -0.295 38.053 38.460 -0.187 0.000 0.999 99 Y HN -0.030 nan 8.280 nan 0.000 0.541 100 V N -0.332 119.636 119.914 0.090 0.000 2.581 100 V HA 0.403 4.517 4.120 -0.009 0.000 0.303 100 V C -0.270 175.868 176.094 0.075 0.000 1.041 100 V CA -0.974 61.366 62.300 0.067 0.000 0.907 100 V CB 1.864 33.706 31.823 0.032 0.000 0.994 100 V HN -0.049 nan 8.190 nan 0.000 0.442 101 S N 5.176 120.952 115.700 0.128 0.000 2.718 101 S HA 0.552 5.017 4.470 -0.009 0.000 0.294 101 S C -0.604 174.110 174.600 0.190 0.000 1.157 101 S CA -0.359 57.950 58.200 0.181 0.000 1.121 101 S CB 0.415 63.773 63.200 0.263 0.000 1.015 101 S HN 0.458 nan 8.310 nan 0.000 0.479 102 I N 4.440 125.052 120.570 0.071 0.000 2.388 102 I HA 0.323 4.487 4.170 -0.009 0.000 0.281 102 I C -2.513 173.636 176.117 0.054 0.000 1.046 102 I CA -2.766 58.532 61.300 -0.003 0.000 1.187 102 I CB 0.778 38.716 38.000 -0.103 0.000 1.351 102 I HN 0.193 nan 8.210 nan 0.000 0.472 103 P HA 0.143 nan 4.420 nan 0.000 0.238 103 P C -0.413 177.203 177.300 0.527 0.000 1.714 103 P CA 0.044 63.417 63.100 0.456 0.000 0.908 103 P CB -0.099 32.019 31.700 0.697 0.000 1.893 104 L N 1.744 123.063 121.223 0.160 0.000 2.385 104 L HA 0.768 5.102 4.340 -0.009 0.000 0.273 104 L C -1.195 175.689 176.870 0.023 0.000 0.990 104 L CA -1.180 53.715 54.840 0.092 0.000 0.821 104 L CB 1.082 42.955 42.059 -0.311 0.000 1.279 104 L HN -0.028 nan 8.230 nan 0.000 0.412 105 F N 3.948 123.923 119.950 0.040 0.000 2.588 105 F HA 0.823 5.344 4.527 -0.010 0.000 0.310 105 F C -1.549 174.327 175.800 0.127 0.000 1.082 105 F CA -1.289 56.704 58.000 -0.012 0.000 0.929 105 F CB 1.093 40.048 39.000 -0.074 0.000 1.254 105 F HN 0.312 nan 8.300 nan 0.000 0.455 106 I N 2.579 123.340 120.570 0.318 0.000 2.474 106 I HA 0.434 4.599 4.170 -0.009 0.000 0.294 106 I C -0.395 175.935 176.117 0.354 0.000 1.005 106 I CA -0.884 60.555 61.300 0.231 0.000 1.113 106 I CB 2.083 40.148 38.000 0.109 0.000 1.289 106 I HN 0.794 nan 8.210 nan 0.000 0.436 107 S N 5.398 121.317 115.700 0.365 0.000 2.489 107 S HA 0.653 5.118 4.470 -0.009 0.000 0.291 107 S C -0.796 173.910 174.600 0.177 0.000 1.151 107 S CA -0.472 57.912 58.200 0.307 0.000 1.082 107 S CB 1.176 64.622 63.200 0.410 0.000 1.019 107 S HN 0.337 nan 8.310 nan 0.000 0.492 108 V N 5.755 125.733 119.914 0.106 0.000 2.349 108 V HA 0.514 4.628 4.120 -0.009 0.000 0.284 108 V C -0.198 175.904 176.094 0.013 0.000 1.014 108 V CA -0.695 61.658 62.300 0.088 0.000 0.826 108 V CB 1.101 33.010 31.823 0.143 0.000 1.009 108 V HN 0.876 nan 8.190 nan 0.000 0.431 109 K N 3.233 123.647 120.400 0.023 0.000 2.397 109 K HA 0.425 4.740 4.320 -0.009 0.000 0.253 109 K C -0.346 176.258 176.600 0.007 0.000 0.932 109 K CA -0.495 55.779 56.287 -0.020 0.000 0.795 109 K CB 1.189 33.688 32.500 -0.003 0.000 1.159 109 K HN 0.667 nan 8.250 nan 0.000 0.424 110 D N 3.293 123.689 120.400 -0.007 0.000 2.751 110 D HA -0.200 4.434 4.640 -0.009 0.000 0.233 110 D C 0.634 176.960 176.300 0.044 0.000 1.149 110 D CA 1.684 55.695 54.000 0.017 0.000 0.682 110 D CB -1.123 39.686 40.800 0.015 0.000 1.068 110 D HN 1.099 nan 8.370 nan 0.000 0.429 111 G N -2.000 106.841 108.800 0.068 0.000 2.184 111 G HA2 -0.341 3.614 3.960 -0.009 0.000 0.264 111 G HA3 -0.341 3.614 3.960 -0.009 0.000 0.264 111 G C 0.391 175.337 174.900 0.077 0.000 0.975 111 G CA 0.423 45.580 45.100 0.095 0.000 0.642 111 G HN 0.595 nan 8.290 nan 0.000 0.536 112 V N 1.072 121.022 119.914 0.060 0.000 2.427 112 V HA 0.775 4.889 4.120 -0.009 0.000 0.286 112 V C 0.671 176.801 176.094 0.059 0.000 1.034 112 V CA -0.237 62.092 62.300 0.049 0.000 0.893 112 V CB 1.492 33.338 31.823 0.039 0.000 0.982 112 V HN 1.029 nan 8.190 nan 0.000 0.452 113 A N 3.885 126.733 122.820 0.047 0.000 2.306 113 A HA 0.862 5.177 4.320 -0.009 0.000 0.314 113 A C 0.040 177.641 177.584 0.028 0.000 1.164 113 A CA -0.362 51.707 52.037 0.053 0.000 0.822 113 A CB 0.916 19.939 19.000 0.037 0.000 1.130 113 A HN 0.776 nan 8.150 nan 0.000 0.496 114 T N 0.938 115.516 114.554 0.040 0.000 2.952 114 T HA 0.625 4.969 4.350 -0.009 0.000 0.305 114 T C 0.083 174.692 174.700 -0.152 0.000 1.064 114 T CA -0.054 62.010 62.100 -0.060 0.000 1.008 114 T CB 1.820 70.673 68.868 -0.025 0.000 1.078 114 T HN 1.097 nan 8.240 nan 0.000 0.459 115 G N 1.037 109.646 108.800 -0.318 0.000 2.410 115 G HA2 0.651 4.605 3.960 -0.009 0.000 0.330 115 G HA3 0.651 4.605 3.960 -0.009 0.000 0.330 115 G C -1.751 172.744 174.900 -0.674 0.000 1.142 115 G CA -0.536 44.365 45.100 -0.331 0.000 0.902 115 G HN 0.626 nan 8.290 nan 0.000 0.491 116 Y N 0.472 120.576 120.300 -0.326 0.000 2.322 116 Y HA 0.407 4.951 4.550 -0.010 0.000 0.324 116 Y C -0.976 174.867 175.900 -0.094 0.000 1.027 116 Y CA -0.977 56.928 58.100 -0.326 0.000 1.179 116 Y CB 2.097 40.139 38.460 -0.696 0.000 1.136 116 Y HN 0.504 nan 8.280 nan 0.000 0.449 117 F N 5.156 125.076 119.950 -0.049 0.000 2.403 117 F HA 0.630 5.151 4.527 -0.009 0.000 0.355 117 F C -1.792 174.097 175.800 0.147 0.000 1.119 117 F CA -2.353 55.719 58.000 0.119 0.000 1.007 117 F CB 0.357 39.433 39.000 0.128 0.000 1.194 117 F HN 0.231 nan 8.300 nan 0.000 0.443 118 F N 4.859 124.883 119.950 0.123 0.000 2.350 118 F HA 0.255 4.776 4.527 -0.010 0.000 0.365 118 F C 0.808 176.480 175.800 -0.214 0.000 1.122 118 F CA -0.750 57.265 58.000 0.025 0.000 1.139 118 F CB 0.444 39.525 39.000 0.135 0.000 1.220 118 F HN 0.445 nan 8.300 nan 0.000 0.499 119 N N 2.574 121.124 118.700 -0.251 0.000 3.103 119 N HA 0.021 4.755 4.740 -0.009 0.000 0.305 119 N C -0.847 174.822 175.510 0.264 0.000 1.232 119 N CA 0.169 53.199 53.050 -0.033 0.000 1.190 119 N CB 0.045 38.600 38.487 0.114 0.000 1.461 119 N HN 0.414 nan 8.380 nan 0.000 0.538 120 S N 0.267 116.184 115.700 0.361 0.000 2.571 120 S HA 0.681 5.146 4.470 -0.009 0.000 0.284 120 S C 0.087 174.865 174.600 0.297 0.000 1.128 120 S CA -0.629 57.733 58.200 0.270 0.000 0.970 120 S CB 1.134 64.456 63.200 0.204 0.000 1.039 120 S HN 0.357 nan 8.310 nan 0.000 0.485 121 A N 3.164 126.021 122.820 0.061 0.000 2.460 121 A HA 0.469 4.783 4.320 -0.009 0.000 0.258 121 A C 0.923 178.520 177.584 0.021 0.000 1.300 121 A CA 0.043 52.008 52.037 -0.119 0.000 0.913 121 A CB -0.615 18.099 19.000 -0.475 0.000 1.031 121 A HN 0.992 nan 8.150 nan 0.000 0.512 122 S N -0.515 115.242 115.700 0.095 0.000 2.671 122 S HA 0.328 4.792 4.470 -0.009 0.000 0.272 122 S C 0.326 175.043 174.600 0.195 0.000 1.174 122 S CA -0.589 57.684 58.200 0.121 0.000 1.004 122 S CB 0.432 63.669 63.200 0.063 0.000 1.077 122 S HN 0.282 nan 8.310 nan 0.000 0.553 123 K N 1.402 121.882 120.400 0.135 0.000 2.121 123 K HA 0.256 4.571 4.320 -0.009 0.000 0.235 123 K C -0.950 175.652 176.600 0.003 0.000 1.200 123 K CA -0.322 55.989 56.287 0.040 0.000 1.115 123 K CB -0.862 31.416 32.500 -0.371 0.000 1.474 123 K HN 0.450 nan 8.250 nan 0.000 0.295 124 V N 5.173 125.133 119.914 0.076 0.000 2.637 124 V HA 0.086 4.201 4.120 -0.009 0.000 0.296 124 V C 0.482 176.549 176.094 -0.044 0.000 1.046 124 V CA -0.377 61.905 62.300 -0.030 0.000 1.066 124 V CB 0.880 32.715 31.823 0.020 0.000 0.968 124 V HN 0.496 nan 8.190 nan 0.000 0.483 125 I N 5.186 125.629 120.570 -0.211 0.000 2.354 125 I HA 0.413 4.577 4.170 -0.009 0.000 0.292 125 I C -0.491 175.434 176.117 -0.321 0.000 0.989 125 I CA -0.452 60.759 61.300 -0.149 0.000 1.188 125 I CB 1.096 39.007 38.000 -0.148 0.000 1.342 125 I HN 0.413 nan 8.210 nan 0.000 0.457 126 F N 4.072 123.977 119.950 -0.074 0.000 2.311 126 F HA 0.242 4.764 4.527 -0.009 0.000 0.371 126 F C 0.710 176.461 175.800 -0.082 0.000 1.083 126 F CA -0.653 57.280 58.000 -0.112 0.000 1.113 126 F CB 0.792 39.738 39.000 -0.089 0.000 1.349 126 F HN 0.371 nan 8.300 nan 0.000 0.470 127 D N 4.131 124.504 120.400 -0.046 0.000 2.441 127 D HA 0.161 4.796 4.640 -0.009 0.000 0.221 127 D C -0.591 175.651 176.300 -0.097 0.000 1.156 127 D CA 0.004 53.956 54.000 -0.080 0.000 0.896 127 D CB 1.161 41.892 40.800 -0.115 0.000 1.028 127 D HN 0.168 nan 8.370 nan 0.000 0.509 128 V N 3.519 123.390 119.914 -0.072 0.000 2.267 128 V HA 0.313 4.427 4.120 -0.009 0.000 0.254 128 V C 1.430 177.434 176.094 -0.150 0.000 1.144 128 V CA -0.124 62.099 62.300 -0.128 0.000 0.992 128 V CB 0.412 32.183 31.823 -0.086 0.000 1.199 128 V HN 0.800 nan 8.190 nan 0.000 0.493 129 G N 3.658 112.358 108.800 -0.166 0.000 2.221 129 G HA2 -0.220 3.734 3.960 -0.009 0.000 0.265 129 G HA3 -0.220 3.734 3.960 -0.009 0.000 0.265 129 G C 0.468 175.289 174.900 -0.131 0.000 1.041 129 G CA 0.610 45.595 45.100 -0.192 0.000 0.807 129 G HN 0.550 nan 8.290 nan 0.000 0.502 130 L N -0.862 120.303 121.223 -0.096 0.000 2.541 130 L HA 0.354 4.688 4.340 -0.009 0.000 0.187 130 L C 2.323 179.169 176.870 -0.040 0.000 1.098 130 L CA 1.631 56.430 54.840 -0.068 0.000 0.846 130 L CB -0.432 41.559 42.059 -0.112 0.000 1.151 130 L HN 0.437 nan 8.230 nan 0.000 0.492 131 E N 0.124 120.289 120.200 -0.058 0.000 2.051 131 E HA -0.147 4.197 4.350 -0.009 0.000 0.192 131 E C -0.225 176.362 176.600 -0.022 0.000 0.991 131 E CA 0.938 57.310 56.400 -0.047 0.000 0.799 131 E CB 0.409 30.071 29.700 -0.064 0.000 0.748 131 E HN 0.259 nan 8.360 nan 0.000 0.449 132 E N -0.319 119.868 120.200 -0.023 0.000 2.216 132 E HA 0.026 4.370 4.350 -0.009 0.000 0.260 132 E C -0.499 176.118 176.600 0.030 0.000 0.880 132 E CA -0.478 55.927 56.400 0.008 0.000 0.765 132 E CB 1.105 30.796 29.700 -0.014 0.000 1.174 132 E HN 0.234 nan 8.360 nan 0.000 0.417 133 Y N 3.161 123.427 120.300 -0.056 0.000 2.228 133 Y HA -0.251 4.293 4.550 -0.010 0.000 0.285 133 Y C 1.239 177.105 175.900 -0.057 0.000 1.178 133 Y CA 2.444 60.511 58.100 -0.055 0.000 1.202 133 Y CB 0.473 38.905 38.460 -0.046 0.000 0.974 133 Y HN 0.410 nan 8.280 nan 0.000 0.527 134 D N -1.095 119.327 120.400 0.038 0.000 2.463 134 D HA 0.162 4.797 4.640 -0.009 0.000 0.224 134 D C -0.355 175.907 176.300 -0.064 0.000 1.174 134 D CA -0.042 53.940 54.000 -0.030 0.000 0.829 134 D CB -0.059 40.768 40.800 0.046 0.000 0.993 134 D HN 0.231 nan 8.370 nan 0.000 0.497 135 K N -0.505 119.843 120.400 -0.088 0.000 2.508 135 K HA 0.531 4.845 4.320 -0.009 0.000 0.260 135 K C -1.465 175.059 176.600 -0.126 0.000 0.949 135 K CA -0.970 55.263 56.287 -0.090 0.000 0.834 135 K CB 3.233 35.694 32.500 -0.065 0.000 1.365 135 K HN -0.208 nan 8.250 nan 0.000 0.437 136 V N 3.502 123.336 119.914 -0.132 0.000 2.350 136 V HA 0.439 4.553 4.120 -0.009 0.000 0.285 136 V C -0.559 175.445 176.094 -0.150 0.000 1.014 136 V CA -0.656 61.538 62.300 -0.176 0.000 0.831 136 V CB 0.948 32.629 31.823 -0.236 0.000 1.000 136 V HN 0.563 nan 8.190 nan 0.000 0.433 137 I N 5.360 125.832 120.570 -0.163 0.000 2.362 137 I HA 0.501 4.666 4.170 -0.009 0.000 0.289 137 I C -0.581 175.372 176.117 -0.273 0.000 0.994 137 I CA -0.802 60.391 61.300 -0.179 0.000 1.158 137 I CB 2.043 39.957 38.000 -0.144 0.000 1.315 137 I HN 0.250 nan 8.210 nan 0.000 0.451 138 V N 5.021 124.709 119.914 -0.376 0.000 2.384 138 V HA 0.395 4.510 4.120 -0.009 0.000 0.287 138 V C -0.001 175.776 176.094 -0.529 0.000 1.020 138 V CA -0.375 61.525 62.300 -0.668 0.000 0.850 138 V CB 1.768 32.916 31.823 -1.123 0.000 0.987 138 V HN 0.723 nan 8.190 nan 0.000 0.436 139 T N 6.346 120.616 114.554 -0.473 0.000 2.770 139 T HA 0.657 5.001 4.350 -0.009 0.000 0.283 139 T C -0.435 174.088 174.700 -0.294 0.000 0.988 139 T CA -0.168 61.747 62.100 -0.309 0.000 0.957 139 T CB 0.951 69.690 68.868 -0.216 0.000 0.930 139 T HN 0.313 nan 8.240 nan 0.000 0.443 140 I N 6.095 126.537 120.570 -0.213 0.000 2.330 140 I HA 0.304 4.468 4.170 -0.009 0.000 0.289 140 I C -1.842 174.229 176.117 -0.077 0.000 1.001 140 I CA -2.564 58.657 61.300 -0.131 0.000 1.193 140 I CB 1.543 39.506 38.000 -0.061 0.000 1.345 140 I HN 0.333 nan 8.210 nan 0.000 0.461 141 P HA 0.097 nan 4.420 nan 0.000 0.232 141 P C -0.711 176.573 177.300 -0.026 0.000 1.738 141 P CA 0.250 63.319 63.100 -0.053 0.000 0.948 141 P CB -0.123 31.538 31.700 -0.066 0.000 1.943 142 E N 0.152 120.344 120.200 -0.014 0.000 2.413 142 E HA 0.091 4.435 4.350 -0.009 0.000 0.277 142 E C -0.169 176.436 176.600 0.009 0.000 0.958 142 E CA -0.590 55.813 56.400 0.005 0.000 0.779 142 E CB 1.213 30.931 29.700 0.031 0.000 1.278 142 E HN -0.042 nan 8.360 nan 0.000 0.456 143 D N -0.433 119.974 120.400 0.011 0.000 2.317 143 D HA -0.012 4.623 4.640 -0.009 0.000 0.211 143 D C 0.214 176.534 176.300 0.034 0.000 0.966 143 D CA 0.490 54.498 54.000 0.014 0.000 0.876 143 D CB 0.329 41.133 40.800 0.005 0.000 0.927 143 D HN 0.065 nan 8.370 nan 0.000 0.519 144 S N -1.169 114.561 115.700 0.050 0.000 2.599 144 S HA 0.717 5.182 4.470 -0.009 0.000 0.287 144 S C -1.254 173.404 174.600 0.096 0.000 1.105 144 S CA -0.804 57.439 58.200 0.072 0.000 0.899 144 S CB 2.652 65.896 63.200 0.072 0.000 1.100 144 S HN 0.085 nan 8.310 nan 0.000 0.482 145 V N 1.777 121.763 119.914 0.120 0.000 3.174 145 V HA 0.488 4.603 4.120 -0.009 0.000 0.280 145 V C -2.134 174.057 176.094 0.162 0.000 1.554 145 V CA -0.789 61.605 62.300 0.156 0.000 1.016 145 V CB 2.184 34.126 31.823 0.198 0.000 1.197 145 V HN 1.051 nan 8.190 nan 0.000 0.453 146 E N 4.865 125.140 120.200 0.124 0.000 2.199 146 E HA 0.747 5.092 4.350 -0.009 0.000 0.265 146 E C -1.305 175.286 176.600 -0.014 0.000 0.882 146 E CA -0.602 55.783 56.400 -0.025 0.000 0.759 146 E CB 2.050 31.683 29.700 -0.113 0.000 1.148 146 E HN 0.709 nan 8.360 nan 0.000 0.412 147 F N 0.444 120.190 119.950 -0.341 0.000 2.640 147 F HA 0.711 5.232 4.527 -0.009 0.000 0.324 147 F C -1.583 173.918 175.800 -0.498 0.000 1.077 147 F CA -1.461 56.282 58.000 -0.429 0.000 0.965 147 F CB 1.054 39.624 39.000 -0.718 0.000 1.351 147 F HN 0.300 nan 8.300 nan 0.000 0.487 148 Y N 0.334 120.562 120.300 -0.120 0.000 2.462 148 Y HA 0.660 5.205 4.550 -0.009 0.000 0.346 148 Y C -0.777 175.090 175.900 -0.055 0.000 0.976 148 Y CA -1.648 56.402 58.100 -0.083 0.000 1.044 148 Y CB 2.105 40.596 38.460 0.051 0.000 1.230 148 Y HN 0.547 nan 8.280 nan 0.000 0.455 149 V N 4.993 124.954 119.914 0.078 0.000 2.347 149 V HA 0.403 4.518 4.120 -0.009 0.000 0.280 149 V C -0.250 175.837 176.094 -0.012 0.000 1.021 149 V CA -0.706 61.546 62.300 -0.080 0.000 0.847 149 V CB 0.871 32.700 31.823 0.009 0.000 0.990 149 V HN 0.578 nan 8.190 nan 0.000 0.444 150 I N 4.485 124.964 120.570 -0.153 0.000 2.328 150 I HA 0.382 4.546 4.170 -0.009 0.000 0.287 150 I C 0.295 176.350 176.117 -0.103 0.000 1.012 150 I CA -0.617 60.627 61.300 -0.092 0.000 1.195 150 I CB 1.158 39.111 38.000 -0.078 0.000 1.350 150 I HN 0.492 nan 8.210 nan 0.000 0.464 151 E N 4.062 124.235 120.200 -0.045 0.000 2.404 151 E HA 0.169 4.513 4.350 -0.009 0.000 0.261 151 E C 0.588 177.164 176.600 -0.040 0.000 1.074 151 E CA 0.061 56.449 56.400 -0.019 0.000 0.917 151 E CB 1.344 31.058 29.700 0.023 0.000 0.965 151 E HN 0.769 nan 8.360 nan 0.000 0.433 152 G N 2.164 110.948 108.800 -0.027 0.000 2.992 152 G HA2 0.032 3.986 3.960 -0.009 0.000 0.195 152 G HA3 0.032 3.986 3.960 -0.009 0.000 0.195 152 G C -1.409 173.473 174.900 -0.031 0.000 2.032 152 G CA -0.065 45.014 45.100 -0.034 0.000 0.831 152 G HN 0.437 nan 8.290 nan 0.000 0.647 153 P HA 0.118 nan 4.420 nan 0.000 0.236 153 P C 0.341 177.623 177.300 -0.030 0.000 1.177 153 P CA 0.208 63.299 63.100 -0.015 0.000 0.773 153 P CB 0.392 32.090 31.700 -0.004 0.000 0.878 154 R N -0.314 120.149 120.500 -0.062 0.000 2.531 154 R HA 0.348 4.682 4.340 -0.009 0.000 0.273 154 R C 1.750 177.971 176.300 -0.132 0.000 1.070 154 R CA -0.604 55.430 56.100 -0.110 0.000 1.112 154 R CB 0.865 31.071 30.300 -0.157 0.000 1.049 154 R HN -0.035 nan 8.270 nan 0.000 0.508 155 I N 1.108 121.564 120.570 -0.189 0.000 2.286 155 I HA -0.277 3.887 4.170 -0.009 0.000 0.248 155 I C 2.375 178.351 176.117 -0.234 0.000 1.115 155 I CA 1.389 62.584 61.300 -0.175 0.000 1.392 155 I CB -0.193 37.704 38.000 -0.172 0.000 1.065 155 I HN 0.741 nan 8.210 nan 0.000 0.418 156 E N 1.049 120.988 120.200 -0.435 0.000 2.153 156 E HA -0.256 4.088 4.350 -0.009 0.000 0.194 156 E C 1.625 178.163 176.600 -0.103 0.000 0.988 156 E CA 1.366 57.589 56.400 -0.295 0.000 0.811 156 E CB 0.107 29.550 29.700 -0.428 0.000 0.746 156 E HN 0.419 nan 8.360 nan 0.000 0.466 157 D N -0.065 120.269 120.400 -0.109 0.000 2.097 157 D HA -0.145 4.489 4.640 -0.009 0.000 0.195 157 D C 2.077 178.353 176.300 -0.041 0.000 0.989 157 D CA 1.136 55.102 54.000 -0.056 0.000 0.827 157 D CB -0.123 40.641 40.800 -0.060 0.000 0.966 157 D HN 0.129 nan 8.370 nan 0.000 0.456 158 V N 1.519 121.403 119.914 -0.051 0.000 2.287 158 V HA -0.229 3.885 4.120 -0.009 0.000 0.248 158 V C 2.697 178.783 176.094 -0.015 0.000 1.053 158 V CA 1.211 63.483 62.300 -0.045 0.000 1.027 158 V CB -0.505 31.284 31.823 -0.057 0.000 0.646 158 V HN 0.202 nan 8.190 nan 0.000 0.447 159 L N -0.475 120.753 121.223 0.009 0.000 2.141 159 L HA -0.167 4.167 4.340 -0.009 0.000 0.209 159 L C 2.584 179.489 176.870 0.058 0.000 1.094 159 L CA 1.492 56.366 54.840 0.057 0.000 0.763 159 L CB -0.610 41.508 42.059 0.098 0.000 0.908 159 L HN 0.426 nan 8.230 nan 0.000 0.437 160 E N 0.299 120.526 120.200 0.046 0.000 2.047 160 E HA -0.212 4.132 4.350 -0.009 0.000 0.191 160 E C 2.183 178.743 176.600 -0.066 0.000 0.987 160 E CA 1.086 57.489 56.400 0.006 0.000 0.799 160 E CB 0.019 29.740 29.700 0.035 0.000 0.752 160 E HN 0.438 nan 8.360 nan 0.000 0.449 161 K N 0.224 120.587 120.400 -0.061 0.000 2.057 161 K HA -0.188 4.126 4.320 -0.009 0.000 0.207 161 K C 2.202 178.704 176.600 -0.162 0.000 1.049 161 K CA 1.295 57.520 56.287 -0.104 0.000 0.931 161 K CB -0.328 32.120 32.500 -0.086 0.000 0.714 161 K HN 0.148 nan 8.250 nan 0.000 0.440 162 Y N 2.335 122.486 120.300 -0.249 0.000 2.128 162 Y HA -0.256 4.288 4.550 -0.009 0.000 0.284 162 Y C 2.224 177.873 175.900 -0.418 0.000 1.154 162 Y CA 1.867 59.744 58.100 -0.372 0.000 1.149 162 Y CB -0.585 37.658 38.460 -0.361 0.000 0.976 162 Y HN -0.046 nan 8.280 nan 0.000 0.505 163 T N -0.060 114.260 114.554 -0.391 0.000 2.821 163 T HA -0.190 4.154 4.350 -0.009 0.000 0.267 163 T C 1.607 176.050 174.700 -0.427 0.000 1.046 163 T CA 1.534 63.365 62.100 -0.447 0.000 1.139 163 T CB -0.269 68.458 68.868 -0.235 0.000 0.871 163 T HN 0.404 nan 8.240 nan 0.000 0.454 164 E N 1.003 121.009 120.200 -0.323 0.000 2.077 164 E HA -0.056 4.289 4.350 -0.009 0.000 0.193 164 E C 2.017 178.423 176.600 -0.323 0.000 0.989 164 E CA 0.854 57.096 56.400 -0.263 0.000 0.800 164 E CB -0.479 29.106 29.700 -0.191 0.000 0.746 164 E HN 0.385 nan 8.360 nan 0.000 0.452 165 L N 0.167 121.122 121.223 -0.448 0.000 2.005 165 L HA -0.118 4.216 4.340 -0.009 0.000 0.207 165 L C 2.304 178.746 176.870 -0.713 0.000 1.072 165 L CA 2.147 56.669 54.840 -0.529 0.000 0.744 165 L CB -0.683 40.982 42.059 -0.657 0.000 0.895 165 L HN 0.451 nan 8.230 nan 0.000 0.433 166 T N -3.232 110.670 114.554 -1.086 0.000 3.067 166 T HA 0.321 4.665 4.350 -0.009 0.000 0.257 166 T C 0.756 175.117 174.700 -0.564 0.000 1.105 166 T CA 0.375 61.752 62.100 -1.205 0.000 1.104 166 T CB 0.345 68.255 68.868 -1.597 0.000 0.925 166 T HN 0.535 nan 8.240 nan 0.000 0.498 167 G N 1.223 109.727 108.800 -0.494 0.000 2.653 167 G HA2 0.186 4.140 3.960 -0.009 0.000 0.656 167 G HA3 0.186 4.140 3.960 -0.009 0.000 0.656 167 G C -1.248 173.443 174.900 -0.348 0.000 1.419 167 G CA -1.210 43.679 45.100 -0.352 0.000 0.862 167 G HN 0.242 nan 8.290 nan 0.000 0.639 168 K N 1.474 121.714 120.400 -0.267 0.000 2.237 168 K HA 0.413 4.727 4.320 -0.009 0.000 0.270 168 K C -2.254 174.217 176.600 -0.214 0.000 1.015 168 K CA -1.529 54.619 56.287 -0.231 0.000 0.949 168 K CB 1.058 33.456 32.500 -0.170 0.000 0.976 168 K HN 0.256 nan 8.250 nan 0.000 0.472 169 P HA -0.004 nan 4.420 nan 0.000 0.268 169 P C -0.322 176.992 177.300 0.024 0.000 1.205 169 P CA -0.192 62.810 63.100 -0.163 0.000 0.771 169 P CB 0.167 31.625 31.700 -0.403 0.000 0.858 170 F N 2.645 122.587 119.950 -0.013 0.000 2.444 170 F HA 0.372 4.893 4.527 -0.009 0.000 0.331 170 F C -0.289 175.663 175.800 0.253 0.000 1.167 170 F CA -1.279 56.787 58.000 0.111 0.000 1.262 170 F CB -0.240 38.880 39.000 0.200 0.000 1.196 170 F HN 0.071 nan 8.300 nan 0.000 0.583 171 L N 5.611 126.879 121.223 0.074 0.000 2.255 171 L HA 0.532 4.866 4.340 -0.009 0.000 0.289 171 L C -2.391 174.449 176.870 -0.049 0.000 1.046 171 L CA -2.328 52.477 54.840 -0.058 0.000 0.816 171 L CB 0.162 42.235 42.059 0.022 0.000 1.197 171 L HN 0.567 nan 8.230 nan 0.000 0.427 172 P HA 0.440 nan 4.420 nan 0.000 0.278 172 P C -2.924 174.458 177.300 0.136 0.000 1.266 172 P CA -1.801 61.287 63.100 -0.019 0.000 0.807 172 P CB 0.323 31.955 31.700 -0.113 0.000 1.094 173 P HA 0.125 nan 4.420 nan 0.000 0.274 173 P C 1.055 178.175 177.300 -0.299 0.000 1.237 173 P CA -0.258 62.710 63.100 -0.220 0.000 0.793 173 P CB 0.807 32.154 31.700 -0.589 0.000 0.977 174 M N 2.511 121.809 119.600 -0.503 0.000 2.202 174 M HA -0.100 4.374 4.480 -0.009 0.000 0.262 174 M C 1.680 177.910 176.300 -0.117 0.000 1.063 174 M CA 1.815 56.667 55.300 -0.747 0.000 1.097 174 M CB -0.474 31.530 32.600 -0.994 0.000 1.382 174 M HN 0.471 nan 8.290 nan 0.000 0.413 175 W N -0.201 121.081 121.300 -0.029 0.000 2.525 175 W HA 0.042 4.696 4.660 -0.010 0.000 0.259 175 W C 1.487 178.006 176.519 0.001 0.000 1.253 175 W CA 0.662 58.020 57.345 0.021 0.000 1.262 175 W CB -1.182 28.275 29.460 -0.006 0.000 1.122 175 W HN 0.338 nan 8.180 nan 0.000 0.607 176 A N 0.553 123.150 122.820 -0.373 0.000 2.121 176 A HA -0.020 4.295 4.320 -0.009 0.000 0.218 176 A C 1.224 178.636 177.584 -0.286 0.000 1.154 176 A CA 0.739 52.448 52.037 -0.546 0.000 0.679 176 A CB -1.117 17.445 19.000 -0.729 0.000 0.795 176 A HN 0.277 nan 8.150 nan 0.000 0.458 177 F N -0.424 119.559 119.950 0.057 0.000 2.664 177 F HA 0.321 4.842 4.527 -0.010 0.000 0.303 177 F C 1.590 177.431 175.800 0.070 0.000 1.092 177 F CA -0.336 57.751 58.000 0.145 0.000 1.305 177 F CB -0.178 38.886 39.000 0.106 0.000 1.054 177 F HN 0.179 nan 8.300 nan 0.000 0.565 178 G N -1.046 107.898 108.800 0.240 0.000 2.563 178 G HA2 0.073 4.027 3.960 -0.009 0.000 0.283 178 G HA3 0.073 4.027 3.960 -0.009 0.000 0.283 178 G C -1.395 173.660 174.900 0.258 0.000 1.309 178 G CA -0.349 44.876 45.100 0.208 0.000 1.022 178 G HN 0.095 nan 8.290 nan 0.000 0.501 179 Y N 1.271 121.699 120.300 0.213 0.000 2.480 179 Y HA 0.423 4.969 4.550 -0.007 0.000 0.341 179 Y C 0.024 176.059 175.900 0.224 0.000 1.031 179 Y CA -1.156 57.124 58.100 0.299 0.000 1.295 179 Y CB 0.306 39.022 38.460 0.426 0.000 1.162 179 Y HN 0.076 nan 8.280 nan 0.000 0.523 180 M N 8.928 128.485 119.600 -0.073 0.000 2.336 180 M HA 0.406 4.880 4.480 -0.009 0.000 0.342 180 M C -0.502 175.564 176.300 -0.389 0.000 1.128 180 M CA -0.762 54.433 55.300 -0.175 0.000 1.016 180 M CB 1.314 33.865 32.600 -0.081 0.000 1.665 180 M HN 0.664 nan 8.290 nan 0.000 0.445 181 I N -0.430 120.004 120.570 -0.226 0.000 2.493 181 I HA 0.880 5.045 4.170 -0.009 0.000 0.298 181 I C -0.269 175.959 176.117 0.184 0.000 0.998 181 I CA -0.390 60.847 61.300 -0.106 0.000 1.137 181 I CB 2.089 40.038 38.000 -0.085 0.000 1.310 181 I HN 0.690 nan 8.210 nan 0.000 0.445 182 S N 4.455 120.294 115.700 0.230 0.000 2.615 182 S HA 0.740 5.204 4.470 -0.009 0.000 0.269 182 S C -1.118 173.548 174.600 0.110 0.000 1.161 182 S CA -0.753 57.612 58.200 0.275 0.000 0.817 182 S CB 2.160 65.307 63.200 -0.088 0.000 1.131 182 S HN 0.990 nan 8.310 nan 0.000 0.467 183 R N 0.589 121.086 120.500 -0.004 0.000 2.741 183 R HA 0.357 4.691 4.340 -0.009 0.000 0.276 183 R C -2.395 174.022 176.300 0.195 0.000 1.028 183 R CA -0.584 55.387 56.100 -0.214 0.000 0.865 183 R CB 0.924 30.641 30.300 -0.972 0.000 1.268 183 R HN 0.693 nan 8.270 nan 0.000 0.475 184 Y N 1.740 122.041 120.300 0.003 0.000 2.919 184 Y HA 0.576 5.120 4.550 -0.010 0.000 0.341 184 Y C -1.639 174.307 175.900 0.076 0.000 1.045 184 Y CA -0.532 57.693 58.100 0.210 0.000 1.218 184 Y CB 0.433 39.076 38.460 0.304 0.000 1.137 184 Y HN 0.526 nan 8.280 nan 0.000 0.577 185 S N 2.571 118.295 115.700 0.039 0.000 2.685 185 S HA 0.541 5.005 4.470 -0.009 0.000 0.282 185 S C -1.915 172.857 174.600 0.285 0.000 1.159 185 S CA -0.627 57.739 58.200 0.276 0.000 0.833 185 S CB 1.302 64.787 63.200 0.475 0.000 1.151 185 S HN 0.235 nan 8.310 nan 0.000 0.485 186 Y N 1.914 122.511 120.300 0.496 0.000 2.326 186 Y HA 0.646 5.190 4.550 -0.010 0.000 0.337 186 Y C -0.215 176.049 175.900 0.607 0.000 1.023 186 Y CA -0.636 57.698 58.100 0.391 0.000 1.143 186 Y CB 0.541 39.195 38.460 0.323 0.000 1.183 186 Y HN 0.700 nan 8.280 nan 0.000 0.485 187 Y N 2.302 122.791 120.300 0.316 0.000 2.841 187 Y HA 0.556 5.100 4.550 -0.009 0.000 0.373 187 Y C -3.322 172.579 175.900 0.001 0.000 1.170 187 Y CA -2.705 55.493 58.100 0.164 0.000 1.196 187 Y CB 0.026 38.648 38.460 0.270 0.000 1.433 187 Y HN 0.327 nan 8.280 nan 0.000 0.479 188 P HA 0.093 nan 4.420 nan 0.000 0.286 188 P C 0.315 177.386 177.300 -0.381 0.000 1.293 188 P CA 0.212 63.169 63.100 -0.238 0.000 0.770 188 P CB 0.929 32.519 31.700 -0.184 0.000 1.206 189 Q N -0.380 118.963 119.800 -0.761 0.000 2.197 189 Q HA -0.223 4.112 4.340 -0.009 0.000 0.207 189 Q C 0.972 176.895 176.000 -0.128 0.000 0.984 189 Q CA 1.884 57.467 55.803 -0.367 0.000 0.869 189 Q CB -0.701 27.867 28.738 -0.283 0.000 0.906 189 Q HN 0.302 nan 8.270 nan 0.000 0.426 190 D N 0.896 121.215 120.400 -0.136 0.000 2.178 190 D HA -0.094 4.541 4.640 -0.009 0.000 0.202 190 D C 1.757 178.018 176.300 -0.065 0.000 0.974 190 D CA 0.917 54.868 54.000 -0.082 0.000 0.841 190 D CB -0.020 40.736 40.800 -0.075 0.000 0.953 190 D HN 0.219 nan 8.370 nan 0.000 0.478 191 K N 0.665 121.023 120.400 -0.070 0.000 2.148 191 K HA -0.026 4.288 4.320 -0.009 0.000 0.204 191 K C 2.202 178.770 176.600 -0.052 0.000 1.050 191 K CA 0.180 56.434 56.287 -0.056 0.000 0.942 191 K CB -0.368 32.093 32.500 -0.066 0.000 0.724 191 K HN 0.096 nan 8.250 nan 0.000 0.446 192 V N 1.074 120.979 119.914 -0.014 0.000 2.295 192 V HA -0.209 3.906 4.120 -0.009 0.000 0.246 192 V C 2.461 178.517 176.094 -0.063 0.000 1.049 192 V CA 1.468 63.759 62.300 -0.015 0.000 1.024 192 V CB -0.417 31.489 31.823 0.140 0.000 0.648 192 V HN -0.032 nan 8.190 nan 0.000 0.447 193 V N -0.255 119.634 119.914 -0.041 0.000 2.427 193 V HA -0.230 3.884 4.120 -0.009 0.000 0.248 193 V C 2.363 178.423 176.094 -0.058 0.000 1.051 193 V CA 1.861 64.130 62.300 -0.050 0.000 1.048 193 V CB -0.712 31.083 31.823 -0.046 0.000 0.666 193 V HN 0.599 nan 8.190 nan 0.000 0.456 194 E N 0.034 120.201 120.200 -0.056 0.000 2.058 194 E HA -0.262 4.082 4.350 -0.009 0.000 0.194 194 E C 2.141 178.703 176.600 -0.062 0.000 0.997 194 E CA 1.498 57.869 56.400 -0.048 0.000 0.801 194 E CB -0.258 29.421 29.700 -0.035 0.000 0.746 194 E HN 0.413 nan 8.360 nan 0.000 0.450 195 L N 0.628 121.796 121.223 -0.092 0.000 2.046 195 L HA -0.145 4.189 4.340 -0.009 0.000 0.208 195 L C 2.214 179.003 176.870 -0.135 0.000 1.077 195 L CA 1.357 56.118 54.840 -0.131 0.000 0.747 195 L CB -0.335 41.581 42.059 -0.238 0.000 0.896 195 L HN -0.046 nan 8.230 nan 0.000 0.432 196 V N -0.090 119.751 119.914 -0.122 0.000 2.343 196 V HA -0.293 3.821 4.120 -0.009 0.000 0.247 196 V C 2.315 178.379 176.094 -0.051 0.000 1.051 196 V CA 1.954 64.204 62.300 -0.084 0.000 1.036 196 V CB -0.779 31.003 31.823 -0.068 0.000 0.654 196 V HN 0.468 nan 8.190 nan 0.000 0.451 197 D N 0.038 120.408 120.400 -0.050 0.000 2.097 197 D HA -0.123 4.511 4.640 -0.009 0.000 0.195 197 D C 2.087 178.370 176.300 -0.029 0.000 0.989 197 D CA 1.445 55.425 54.000 -0.034 0.000 0.827 197 D CB -0.163 40.616 40.800 -0.034 0.000 0.966 197 D HN 0.404 nan 8.370 nan 0.000 0.456 198 I N 0.521 121.062 120.570 -0.050 0.000 2.226 198 I HA -0.252 3.913 4.170 -0.009 0.000 0.245 198 I C 2.477 178.577 176.117 -0.028 0.000 1.100 198 I CA 0.671 61.936 61.300 -0.057 0.000 1.374 198 I CB -0.209 37.722 38.000 -0.116 0.000 1.057 198 I HN -0.001 nan 8.210 nan 0.000 0.413 199 M N 0.194 119.774 119.600 -0.034 0.000 2.080 199 M HA -0.245 4.230 4.480 -0.009 0.000 0.260 199 M C 2.356 178.764 176.300 0.180 0.000 1.068 199 M CA 1.973 57.312 55.300 0.064 0.000 1.109 199 M CB -1.120 31.491 32.600 0.019 0.000 1.342 199 M HN 0.337 nan 8.290 nan 0.000 0.405 200 Q N -0.411 119.441 119.800 0.087 0.000 2.079 200 Q HA -0.181 4.153 4.340 -0.009 0.000 0.200 200 Q C 2.110 178.133 176.000 0.039 0.000 0.974 200 Q CA 1.292 57.135 55.803 0.067 0.000 0.840 200 Q CB -0.259 28.493 28.738 0.023 0.000 0.898 200 Q HN 0.481 nan 8.270 nan 0.000 0.430 201 K N 1.323 121.738 120.400 0.025 0.000 2.103 201 K HA -0.174 4.140 4.320 -0.009 0.000 0.207 201 K C 1.188 177.796 176.600 0.013 0.000 1.048 201 K CA 1.226 57.518 56.287 0.008 0.000 0.930 201 K CB 0.139 32.638 32.500 -0.001 0.000 0.716 201 K HN 0.165 nan 8.250 nan 0.000 0.444 202 E N -0.962 119.272 120.200 0.058 0.000 2.445 202 E HA 0.033 4.377 4.350 -0.009 0.000 0.189 202 E C 0.408 176.977 176.600 -0.052 0.000 1.069 202 E CA 0.354 56.791 56.400 0.061 0.000 0.871 202 E CB 0.424 30.225 29.700 0.167 0.000 0.991 202 E HN 0.632 nan 8.360 nan 0.000 0.481 203 G N 1.097 109.855 108.800 -0.071 0.000 2.157 203 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.239 203 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.239 203 G C -0.116 174.595 174.900 -0.315 0.000 0.982 203 G CA -0.437 44.534 45.100 -0.216 0.000 0.650 203 G HN 0.191 nan 8.290 nan 0.000 0.527 204 F N 1.062 121.028 119.950 0.027 0.000 2.411 204 F HA 0.533 5.052 4.527 -0.012 0.000 0.355 204 F C 1.078 176.948 175.800 0.117 0.000 1.117 204 F CA -0.757 57.304 58.000 0.102 0.000 1.139 204 F CB 1.166 40.275 39.000 0.181 0.000 1.120 204 F HN 0.029 nan 8.300 nan 0.000 0.493 205 R N 3.650 124.296 120.500 0.242 0.000 2.272 205 R HA 0.402 4.737 4.340 -0.009 0.000 0.334 205 R C -1.380 175.120 176.300 0.333 0.000 1.117 205 R CA -0.230 55.932 56.100 0.103 0.000 0.966 205 R CB 0.211 30.329 30.300 -0.304 0.000 1.049 205 R HN 0.520 nan 8.270 nan 0.000 0.477 206 V N 5.079 125.134 119.914 0.235 0.000 2.383 206 V HA 0.203 4.317 4.120 -0.009 0.000 0.275 206 V C 1.030 177.205 176.094 0.135 0.000 1.036 206 V CA 0.022 62.434 62.300 0.186 0.000 0.889 206 V CB 1.159 33.017 31.823 0.059 0.000 0.985 206 V HN 0.973 nan 8.190 nan 0.000 0.459 207 A N 4.055 126.991 122.820 0.192 0.000 1.935 207 A HA 0.578 4.892 4.320 -0.009 0.000 0.214 207 A C 1.100 178.699 177.584 0.025 0.000 1.178 207 A CA 1.066 53.199 52.037 0.160 0.000 0.640 207 A CB -0.051 19.129 19.000 0.299 0.000 0.825 207 A HN 1.119 nan 8.150 nan 0.000 0.447 208 G N -1.849 106.969 108.800 0.030 0.000 2.601 208 G HA2 0.531 4.485 3.960 -0.009 0.000 0.291 208 G HA3 0.531 4.485 3.960 -0.009 0.000 0.291 208 G C -1.213 173.725 174.900 0.062 0.000 1.456 208 G CA 0.139 45.224 45.100 -0.026 0.000 0.804 208 G HN 1.154 nan 8.290 nan 0.000 0.499 209 V N -1.878 118.069 119.914 0.056 0.000 2.680 209 V HA 0.884 4.998 4.120 -0.009 0.000 0.309 209 V C -1.157 175.081 176.094 0.241 0.000 1.052 209 V CA -1.297 61.127 62.300 0.206 0.000 0.908 209 V CB 1.493 33.401 31.823 0.142 0.000 1.001 209 V HN 0.514 nan 8.190 nan 0.000 0.431 210 F N 4.102 124.153 119.950 0.169 0.000 2.404 210 F HA 0.732 5.254 4.527 -0.009 0.000 0.339 210 F C -0.101 175.935 175.800 0.392 0.000 1.105 210 F CA -1.066 57.071 58.000 0.228 0.000 1.087 210 F CB 1.739 40.755 39.000 0.027 0.000 1.143 210 F HN 0.349 nan 8.300 nan 0.000 0.491 211 L N 4.034 125.573 121.223 0.527 0.000 2.280 211 L HA 0.320 4.654 4.340 -0.009 0.000 0.287 211 L C 0.073 177.347 176.870 0.673 0.000 1.023 211 L CA -0.279 54.877 54.840 0.528 0.000 0.819 211 L CB 0.462 42.648 42.059 0.212 0.000 1.212 211 L HN 0.520 nan 8.230 nan 0.000 0.420 212 D N 2.034 122.828 120.400 0.657 0.000 2.433 212 D HA 0.137 4.772 4.640 -0.009 0.000 0.255 212 D C 1.695 178.193 176.300 0.330 0.000 1.226 212 D CA -0.298 53.989 54.000 0.479 0.000 1.015 212 D CB 1.044 42.188 40.800 0.574 0.000 1.091 212 D HN 0.545 nan 8.370 nan 0.000 0.527 213 I N -0.738 119.882 120.570 0.084 0.000 2.597 213 I HA -0.288 3.877 4.170 -0.009 0.000 0.262 213 I C 1.155 177.205 176.117 -0.111 0.000 1.194 213 I CA 1.347 62.587 61.300 -0.099 0.000 1.437 213 I CB -0.553 37.395 38.000 -0.086 0.000 1.096 213 I HN 0.259 nan 8.210 nan 0.000 0.451 214 H N 0.507 119.581 119.070 0.006 0.000 2.545 214 H HA -0.112 4.439 4.556 -0.009 0.000 0.282 214 H C 1.767 177.039 175.328 -0.093 0.000 1.020 214 H CA 1.841 57.777 56.048 -0.186 0.000 1.243 214 H CB -0.371 29.062 29.762 -0.547 0.000 1.377 214 H HN 0.791 nan 8.280 nan 0.000 0.581 215 Y N -0.983 119.372 120.300 0.093 0.000 2.457 215 Y HA 0.140 4.684 4.550 -0.010 0.000 0.292 215 Y C 0.608 176.514 175.900 0.011 0.000 1.125 215 Y CA -0.337 57.738 58.100 -0.042 0.000 1.254 215 Y CB -0.362 37.825 38.460 -0.456 0.000 1.012 215 Y HN -0.041 nan 8.280 nan 0.000 0.555 216 M N 1.349 120.629 119.600 -0.534 0.000 2.202 216 M HA 0.071 4.545 4.480 -0.009 0.000 0.316 216 M C -0.516 175.697 176.300 -0.146 0.000 1.138 216 M CA -0.207 54.839 55.300 -0.424 0.000 1.151 216 M CB 0.318 32.548 32.600 -0.617 0.000 1.422 216 M HN 0.086 nan 8.290 nan 0.000 0.471 217 D N 0.359 120.674 120.400 -0.142 0.000 2.411 217 D HA 0.201 4.836 4.640 -0.009 0.000 0.225 217 D C -0.422 175.716 176.300 -0.270 0.000 1.156 217 D CA 0.198 54.087 54.000 -0.186 0.000 0.874 217 D CB 0.280 41.010 40.800 -0.117 0.000 1.034 217 D HN 0.610 nan 8.370 nan 0.000 0.502 218 S N 2.973 118.455 115.700 -0.363 0.000 3.587 218 S HA -0.275 4.190 4.470 -0.009 0.000 0.337 218 S C 0.084 174.481 174.600 -0.338 0.000 1.119 218 S CA 0.687 58.653 58.200 -0.389 0.000 0.976 218 S CB -1.890 61.186 63.200 -0.207 0.000 0.922 218 S HN 0.641 nan 8.310 nan 0.000 0.503 219 Y N -2.309 117.886 120.300 -0.175 0.000 4.668 219 Y HA -0.250 4.294 4.550 -0.010 0.000 0.234 219 Y C 0.655 176.409 175.900 -0.243 0.000 1.056 219 Y CA 0.994 58.974 58.100 -0.200 0.000 2.025 219 Y CB -1.982 36.425 38.460 -0.088 0.000 1.613 219 Y HN 0.472 nan 8.280 nan 0.000 0.653 220 K N 1.444 121.707 120.400 -0.228 0.000 2.312 220 K HA 0.379 4.694 4.320 -0.009 0.000 0.287 220 K C 0.480 176.939 176.600 -0.236 0.000 1.062 220 K CA -0.504 55.589 56.287 -0.324 0.000 0.934 220 K CB 0.588 32.795 32.500 -0.487 0.000 1.027 220 K HN 0.140 nan 8.250 nan 0.000 0.478 221 L N 3.967 125.075 121.223 -0.191 0.000 2.506 221 L HA -0.047 4.288 4.340 -0.009 0.000 0.281 221 L C 0.118 176.688 176.870 -0.500 0.000 1.228 221 L CA 0.147 54.663 54.840 -0.540 0.000 0.850 221 L CB -0.373 41.288 42.059 -0.663 0.000 1.110 221 L HN 0.698 nan 8.230 nan 0.000 0.496 222 F N -0.100 119.470 119.950 -0.634 0.000 3.074 222 F HA -0.217 4.305 4.527 -0.009 0.000 0.287 222 F C 0.615 176.270 175.800 -0.242 0.000 0.932 222 F CA 0.880 58.382 58.000 -0.829 0.000 0.995 222 F CB -2.649 36.081 39.000 -0.451 0.000 0.966 222 F HN 0.713 nan 8.300 nan 0.000 0.721 223 T N -4.369 110.106 114.554 -0.132 0.000 2.864 223 T HA 0.720 5.064 4.350 -0.009 0.000 0.299 223 T C -0.875 173.852 174.700 0.046 0.000 1.166 223 T CA -1.004 61.157 62.100 0.102 0.000 1.007 223 T CB 2.004 70.928 68.868 0.093 0.000 1.219 223 T HN 0.188 nan 8.240 nan 0.000 0.506 224 W N 1.093 122.580 121.300 0.311 0.000 2.632 224 W HA 0.440 5.094 4.660 -0.010 0.000 0.328 224 W C 0.434 177.103 176.519 0.251 0.000 1.044 224 W CA -0.816 56.730 57.345 0.335 0.000 1.225 224 W CB 1.050 30.695 29.460 0.308 0.000 1.396 224 W HN 0.766 nan 8.180 nan 0.000 0.499 225 H N 6.137 125.492 119.070 0.475 0.000 3.046 225 H HA -0.014 4.537 4.556 -0.009 0.000 0.303 225 H C -1.237 174.246 175.328 0.258 0.000 1.002 225 H CA -0.572 55.655 56.048 0.298 0.000 1.460 225 H CB 1.190 31.164 29.762 0.353 0.000 1.493 225 H HN 0.202 nan 8.280 nan 0.000 0.559 226 P HA -0.185 nan 4.420 nan 0.000 0.219 226 P C 0.421 177.598 177.300 -0.206 0.000 1.146 226 P CA 1.408 64.384 63.100 -0.208 0.000 0.808 226 P CB 0.146 31.530 31.700 -0.527 0.000 0.779 227 Y N -0.380 120.172 120.300 0.421 0.000 2.500 227 Y HA 0.228 4.772 4.550 -0.010 0.000 0.284 227 Y C 2.783 178.830 175.900 0.244 0.000 1.118 227 Y CA 0.291 58.584 58.100 0.322 0.000 1.241 227 Y CB -0.655 37.994 38.460 0.315 0.000 1.171 227 Y HN -0.209 nan 8.280 nan 0.000 0.540 228 R N -0.876 119.888 120.500 0.440 0.000 2.119 228 R HA 0.053 4.388 4.340 -0.009 0.000 0.222 228 R C -0.324 175.830 176.300 -0.244 0.000 1.088 228 R CA 1.003 57.125 56.100 0.036 0.000 0.984 228 R CB -0.023 30.264 30.300 -0.020 0.000 0.884 228 R HN 0.121 nan 8.270 nan 0.000 0.447 229 F N 0.625 120.756 119.950 0.302 0.000 2.564 229 F HA 0.291 4.812 4.527 -0.010 0.000 0.329 229 F C -1.711 174.141 175.800 0.085 0.000 1.458 229 F CA -2.186 55.934 58.000 0.200 0.000 1.117 229 F CB 1.585 40.810 39.000 0.375 0.000 1.383 229 F HN -0.129 nan 8.300 nan 0.000 0.571 230 P HA -0.143 nan 4.420 nan 0.000 0.218 230 P C -0.172 177.120 177.300 -0.013 0.000 1.149 230 P CA 1.383 64.520 63.100 0.062 0.000 0.817 230 P CB 0.411 32.144 31.700 0.054 0.000 0.785 231 E N 0.303 120.467 120.200 -0.061 0.000 3.303 231 E HA 0.164 4.508 4.350 -0.009 0.000 0.215 231 E C -1.868 174.592 176.600 -0.233 0.000 1.181 231 E CA -1.822 54.502 56.400 -0.126 0.000 0.998 231 E CB 0.881 30.528 29.700 -0.089 0.000 1.312 231 E HN 0.260 nan 8.360 nan 0.000 0.412 232 P HA -0.258 nan 4.420 nan 0.000 0.218 232 P C 1.314 178.322 177.300 -0.486 0.000 1.148 232 P CA 1.135 63.782 63.100 -0.754 0.000 0.822 232 P CB 0.440 31.101 31.700 -1.732 0.000 0.784 233 K N 0.895 121.090 120.400 -0.342 0.000 2.057 233 K HA -0.176 4.138 4.320 -0.009 0.000 0.207 233 K C 2.416 178.900 176.600 -0.194 0.000 1.049 233 K CA 1.553 57.699 56.287 -0.235 0.000 0.931 233 K CB -0.278 32.125 32.500 -0.162 0.000 0.714 233 K HN -0.092 nan 8.250 nan 0.000 0.440 234 K N 0.633 120.932 120.400 -0.167 0.000 2.057 234 K HA -0.181 4.134 4.320 -0.009 0.000 0.207 234 K C 2.196 178.713 176.600 -0.139 0.000 1.049 234 K CA 1.353 57.563 56.287 -0.128 0.000 0.931 234 K CB -0.152 32.287 32.500 -0.102 0.000 0.714 234 K HN 0.173 nan 8.250 nan 0.000 0.440 235 L N 1.390 122.516 121.223 -0.162 0.000 2.017 235 L HA -0.110 4.224 4.340 -0.009 0.000 0.208 235 L C 1.983 178.737 176.870 -0.194 0.000 1.073 235 L CA 1.517 56.275 54.840 -0.136 0.000 0.745 235 L CB -0.255 41.752 42.059 -0.087 0.000 0.894 235 L HN 0.209 nan 8.230 nan 0.000 0.432 236 I N -0.112 120.294 120.570 -0.274 0.000 2.226 236 I HA -0.274 3.890 4.170 -0.009 0.000 0.245 236 I C 2.037 177.888 176.117 -0.445 0.000 1.100 236 I CA 1.415 62.464 61.300 -0.420 0.000 1.374 236 I CB -0.579 37.183 38.000 -0.397 0.000 1.057 236 I HN 0.330 nan 8.210 nan 0.000 0.413 237 D N 0.712 120.967 120.400 -0.242 0.000 2.117 237 D HA -0.179 4.455 4.640 -0.009 0.000 0.197 237 D C 2.055 178.292 176.300 -0.105 0.000 0.987 237 D CA 1.229 55.150 54.000 -0.132 0.000 0.829 237 D CB -0.233 40.518 40.800 -0.083 0.000 0.961 237 D HN 0.434 nan 8.370 nan 0.000 0.460 238 E N 0.318 120.449 120.200 -0.116 0.000 2.077 238 E HA -0.108 4.237 4.350 -0.009 0.000 0.193 238 E C 2.381 178.932 176.600 -0.083 0.000 0.989 238 E CA 0.467 56.817 56.400 -0.083 0.000 0.800 238 E CB -0.026 29.627 29.700 -0.078 0.000 0.746 238 E HN 0.252 nan 8.360 nan 0.000 0.452 239 L N -0.169 120.973 121.223 -0.134 0.000 2.056 239 L HA -0.172 4.162 4.340 -0.009 0.000 0.207 239 L C 2.289 179.130 176.870 -0.048 0.000 1.078 239 L CA 1.324 56.093 54.840 -0.118 0.000 0.749 239 L CB -0.481 41.470 42.059 -0.180 0.000 0.901 239 L HN 0.256 nan 8.230 nan 0.000 0.433 240 H N -0.154 118.856 119.070 -0.100 0.000 2.389 240 H HA -0.132 4.418 4.556 -0.010 0.000 0.299 240 H C 2.181 177.456 175.328 -0.087 0.000 1.081 240 H CA 0.865 56.847 56.048 -0.109 0.000 1.345 240 H CB 0.185 29.884 29.762 -0.106 0.000 1.393 240 H HN 0.237 nan 8.280 nan 0.000 0.520 241 K N 0.750 121.177 120.400 0.046 0.000 2.152 241 K HA -0.114 4.200 4.320 -0.009 0.000 0.206 241 K C 1.706 178.300 176.600 -0.010 0.000 1.048 241 K CA 1.072 57.362 56.287 0.005 0.000 0.933 241 K CB 0.026 32.518 32.500 -0.013 0.000 0.721 241 K HN 0.275 nan 8.250 nan 0.000 0.447 242 R N 0.732 121.223 120.500 -0.015 0.000 2.334 242 R HA 0.120 4.454 4.340 -0.009 0.000 0.220 242 R C -0.179 176.104 176.300 -0.028 0.000 0.917 242 R CA -0.068 56.017 56.100 -0.024 0.000 1.073 242 R CB 0.010 30.293 30.300 -0.029 0.000 1.056 242 R HN 0.189 nan 8.270 nan 0.000 0.506 243 N N 0.284 118.968 118.700 -0.028 0.000 2.754 243 N HA -0.146 4.589 4.740 -0.009 0.000 0.248 243 N C -1.265 174.200 175.510 -0.075 0.000 1.093 243 N CA 0.787 53.802 53.050 -0.057 0.000 0.699 243 N CB -0.850 37.604 38.487 -0.055 0.000 1.016 243 N HN -0.016 nan 8.380 nan 0.000 0.552 244 V N 0.880 120.759 119.914 -0.058 0.000 2.448 244 V HA 0.288 4.402 4.120 -0.009 0.000 0.295 244 V C 0.532 176.557 176.094 -0.116 0.000 1.025 244 V CA -0.863 61.387 62.300 -0.084 0.000 0.859 244 V CB 2.268 34.059 31.823 -0.054 0.000 0.988 244 V HN -0.041 nan 8.190 nan 0.000 0.431 245 K N 3.283 123.529 120.400 -0.256 0.000 2.202 245 K HA 0.490 4.804 4.320 -0.009 0.000 0.264 245 K C -0.648 175.826 176.600 -0.210 0.000 1.010 245 K CA -0.557 55.515 56.287 -0.358 0.000 0.940 245 K CB 1.610 33.601 32.500 -0.849 0.000 0.983 245 K HN 0.458 nan 8.250 nan 0.000 0.475 246 L N 2.828 123.955 121.223 -0.160 0.000 2.319 246 L HA 0.412 4.746 4.340 -0.009 0.000 0.281 246 L C -1.295 175.513 176.870 -0.103 0.000 1.005 246 L CA -0.478 54.294 54.840 -0.114 0.000 0.828 246 L CB 0.910 42.910 42.059 -0.098 0.000 1.227 246 L HN 0.411 nan 8.230 nan 0.000 0.415 247 I N 3.964 124.412 120.570 -0.202 0.000 2.378 247 I HA 0.541 4.705 4.170 -0.009 0.000 0.291 247 I C 0.129 176.244 176.117 -0.004 0.000 0.992 247 I CA -0.094 61.087 61.300 -0.198 0.000 1.154 247 I CB 2.118 39.623 38.000 -0.825 0.000 1.315 247 I HN 0.714 nan 8.210 nan 0.000 0.448 248 T N 4.230 118.897 114.554 0.189 0.000 2.823 248 T HA 0.650 4.994 4.350 -0.009 0.000 0.279 248 T C -0.103 174.845 174.700 0.413 0.000 0.998 248 T CA -0.676 61.580 62.100 0.260 0.000 0.994 248 T CB 1.347 70.321 68.868 0.177 0.000 0.960 248 T HN 0.459 nan 8.240 nan 0.000 0.448 249 I N 2.816 123.657 120.570 0.452 0.000 2.696 249 I HA 0.476 4.641 4.170 -0.009 0.000 0.284 249 I C -1.014 175.129 176.117 0.043 0.000 1.129 249 I CA -0.410 60.965 61.300 0.124 0.000 1.410 249 I CB 0.626 38.404 38.000 -0.370 0.000 1.399 249 I HN 0.504 nan 8.210 nan 0.000 0.579 250 V N 7.154 127.050 119.914 -0.029 0.000 2.524 250 V HA 0.313 4.427 4.120 -0.009 0.000 0.297 250 V C -0.462 175.664 176.094 0.054 0.000 1.035 250 V CA -0.866 61.397 62.300 -0.063 0.000 0.867 250 V CB 1.469 33.296 31.823 0.007 0.000 1.004 250 V HN 0.709 nan 8.190 nan 0.000 0.426 251 D N 2.450 122.885 120.400 0.059 0.000 2.440 251 D HA 0.259 4.893 4.640 -0.009 0.000 0.269 251 D C 0.656 177.196 176.300 0.401 0.000 1.249 251 D CA -0.215 53.916 54.000 0.219 0.000 1.055 251 D CB 0.769 41.696 40.800 0.212 0.000 1.104 251 D HN 0.812 nan 8.370 nan 0.000 0.561 252 H N -1.833 117.384 119.070 0.245 0.000 2.652 252 H HA 0.285 4.835 4.556 -0.009 0.000 0.274 252 H C 0.372 175.935 175.328 0.392 0.000 1.021 252 H CA -0.435 55.843 56.048 0.384 0.000 1.187 252 H CB -0.223 29.829 29.762 0.483 0.000 1.505 252 H HN 0.217 nan 8.280 nan 0.000 0.530 253 G N 2.214 110.952 108.800 -0.102 0.000 2.325 253 G HA2 0.462 4.417 3.960 -0.009 0.000 0.298 253 G HA3 0.462 4.417 3.960 -0.009 0.000 0.298 253 G C -0.446 174.361 174.900 -0.155 0.000 1.134 253 G CA -0.495 44.384 45.100 -0.369 0.000 0.876 253 G HN 0.189 nan 8.290 nan 0.000 0.452 254 I N 2.237 122.687 120.570 -0.200 0.000 2.321 254 I HA 0.272 4.437 4.170 -0.009 0.000 0.291 254 I C 0.797 176.815 176.117 -0.164 0.000 0.998 254 I CA -0.818 60.510 61.300 0.047 0.000 1.227 254 I CB 1.358 39.480 38.000 0.204 0.000 1.368 254 I HN 0.533 nan 8.210 nan 0.000 0.466 255 R N 5.157 125.582 120.500 -0.125 0.000 2.484 255 R HA 0.178 4.512 4.340 -0.009 0.000 0.293 255 R C -0.589 175.431 176.300 -0.467 0.000 1.023 255 R CA -0.209 55.693 56.100 -0.329 0.000 1.037 255 R CB 0.628 30.654 30.300 -0.456 0.000 0.951 255 R HN 0.431 nan 8.270 nan 0.000 0.418 256 V N 5.856 125.372 119.914 -0.663 0.000 2.242 256 V HA 0.024 4.138 4.120 -0.009 0.000 0.242 256 V C 0.002 175.627 176.094 -0.782 0.000 1.240 256 V CA 0.444 62.068 62.300 -1.128 0.000 1.211 256 V CB -0.123 31.268 31.823 -0.721 0.000 1.338 256 V HN 0.686 nan 8.190 nan 0.000 0.499 257 D N 2.661 122.647 120.400 -0.690 0.000 2.593 257 D HA 0.225 4.859 4.640 -0.009 0.000 0.251 257 D C 0.846 177.186 176.300 0.065 0.000 1.140 257 D CA -0.498 53.379 54.000 -0.205 0.000 0.855 257 D CB 2.137 42.883 40.800 -0.090 0.000 1.267 257 D HN 0.373 nan 8.370 nan 0.000 0.532 258 Q N 2.058 121.916 119.800 0.095 0.000 2.234 258 Q HA -0.129 4.206 4.340 -0.009 0.000 0.206 258 Q C 0.382 176.505 176.000 0.205 0.000 0.980 258 Q CA 1.436 57.359 55.803 0.199 0.000 0.869 258 Q CB 0.135 28.941 28.738 0.113 0.000 0.912 258 Q HN 0.463 nan 8.270 nan 0.000 0.436 259 N N -1.139 117.669 118.700 0.181 0.000 2.282 259 N HA 0.040 4.774 4.740 -0.009 0.000 0.240 259 N C -1.302 174.352 175.510 0.240 0.000 1.182 259 N CA -0.230 52.922 53.050 0.170 0.000 0.874 259 N CB 0.686 39.241 38.487 0.114 0.000 1.126 259 N HN 0.073 nan 8.380 nan 0.000 0.516 260 Y N 1.326 121.710 120.300 0.140 0.000 2.385 260 Y HA 0.297 4.842 4.550 -0.009 0.000 0.341 260 Y C 1.394 177.428 175.900 0.223 0.000 0.965 260 Y CA -0.983 57.207 58.100 0.150 0.000 1.180 260 Y CB 0.789 39.316 38.460 0.112 0.000 1.139 260 Y HN -0.085 nan 8.280 nan 0.000 0.502 261 S N 5.892 121.549 115.700 -0.071 0.000 2.368 261 S HA -0.165 4.300 4.470 -0.009 0.000 0.226 261 S C -0.744 173.786 174.600 -0.117 0.000 1.044 261 S CA 2.294 60.444 58.200 -0.083 0.000 1.062 261 S CB -0.728 62.446 63.200 -0.045 0.000 0.931 261 S HN 0.727 nan 8.310 nan 0.000 0.440 262 P HA -0.073 nan 4.420 nan 0.000 0.218 262 P C 1.203 178.715 177.300 0.353 0.000 1.148 262 P CA 0.884 64.014 63.100 0.049 0.000 0.822 262 P CB -0.146 31.501 31.700 -0.089 0.000 0.784 263 F N 0.184 120.160 119.950 0.044 0.000 2.113 263 F HA -0.121 4.401 4.527 -0.009 0.000 0.297 263 F C 1.871 177.815 175.800 0.240 0.000 1.103 263 F CA 1.421 59.574 58.000 0.255 0.000 1.248 263 F CB -0.975 38.153 39.000 0.213 0.000 0.999 263 F HN -0.247 nan 8.300 nan 0.000 0.475 264 L N -0.162 121.072 121.223 0.018 0.000 2.056 264 L HA -0.169 4.165 4.340 -0.009 0.000 0.207 264 L C 2.700 179.500 176.870 -0.116 0.000 1.078 264 L CA 1.488 56.254 54.840 -0.124 0.000 0.749 264 L CB -1.114 40.942 42.059 -0.004 0.000 0.901 264 L HN 0.304 nan 8.230 nan 0.000 0.433 265 S N -0.336 115.365 115.700 0.001 0.000 2.436 265 S HA -0.042 4.422 4.470 -0.009 0.000 0.228 265 S C 1.907 176.345 174.600 -0.270 0.000 1.014 265 S CA 0.711 58.920 58.200 0.014 0.000 0.950 265 S CB -0.475 62.872 63.200 0.244 0.000 0.784 265 S HN 0.390 nan 8.310 nan 0.000 0.504 266 G N 0.798 109.340 108.800 -0.430 0.000 2.712 266 G HA2 0.180 4.135 3.960 -0.009 0.000 0.212 266 G HA3 0.180 4.135 3.960 -0.009 0.000 0.212 266 G C 0.407 174.370 174.900 -1.562 0.000 1.142 266 G CA -0.216 43.953 45.100 -1.552 0.000 0.789 266 G HN 0.452 nan 8.290 nan 0.000 0.535 267 M N 1.349 120.477 119.600 -0.787 0.000 2.255 267 M HA 0.369 4.844 4.480 -0.009 0.000 0.356 267 M C 1.463 177.425 176.300 -0.563 0.000 1.338 267 M CA 0.797 55.768 55.300 -0.550 0.000 0.962 267 M CB 0.212 32.609 32.600 -0.339 0.000 1.877 267 M HN 0.477 nan 8.290 nan 0.000 0.463 268 G N 4.149 112.675 108.800 -0.456 0.000 2.254 268 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.225 268 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.225 268 G C 0.703 175.364 174.900 -0.400 0.000 1.003 268 G CA 0.316 45.211 45.100 -0.343 0.000 0.622 268 G HN 0.651 nan 8.290 nan 0.000 0.507 269 K N -0.067 119.914 120.400 -0.699 0.000 2.414 269 K HA 0.432 4.746 4.320 -0.009 0.000 0.204 269 K C -0.193 176.122 176.600 -0.475 0.000 1.026 269 K CA -0.416 55.519 56.287 -0.587 0.000 1.108 269 K CB 0.379 32.458 32.500 -0.703 0.000 0.855 269 K HN 0.251 nan 8.250 nan 0.000 0.517 270 F N 0.513 120.387 119.950 -0.126 0.000 2.380 270 F HA 0.210 4.731 4.527 -0.009 0.000 0.321 270 F C 1.000 176.867 175.800 0.112 0.000 1.103 270 F CA -1.799 56.193 58.000 -0.013 0.000 1.067 270 F CB 0.347 39.338 39.000 -0.016 0.000 1.265 270 F HN -0.106 nan 8.300 nan 0.000 0.517 271 C N 1.468 121.032 119.300 0.441 0.000 2.676 271 C HA 0.319 4.773 4.460 -0.009 0.000 0.416 271 C C 0.428 175.580 174.990 0.270 0.000 1.299 271 C CA -0.576 58.660 59.018 0.364 0.000 2.048 271 C CB -0.697 27.310 27.740 0.445 0.000 2.713 271 C HN 0.712 nan 8.230 nan 0.000 0.624 272 E N 0.869 121.164 120.200 0.159 0.000 2.370 272 E HA 0.730 5.074 4.350 -0.009 0.000 0.259 272 E C -0.739 175.868 176.600 0.011 0.000 0.947 272 E CA -0.675 55.798 56.400 0.121 0.000 0.809 272 E CB 1.456 31.235 29.700 0.132 0.000 1.300 272 E HN 0.683 nan 8.360 nan 0.000 0.419 273 I N -2.155 118.421 120.570 0.009 0.000 2.910 273 I HA 0.396 4.560 4.170 -0.009 0.000 0.310 273 I C 1.043 177.128 176.117 -0.052 0.000 1.043 273 I CA -0.880 60.382 61.300 -0.063 0.000 1.053 273 I CB 1.417 39.396 38.000 -0.034 0.000 1.242 273 I HN 0.327 nan 8.210 nan 0.000 0.452 274 E N 1.913 122.067 120.200 -0.076 0.000 2.113 274 E HA -0.250 4.094 4.350 -0.009 0.000 0.210 274 E C 2.046 178.626 176.600 -0.033 0.000 1.040 274 E CA 2.491 58.853 56.400 -0.062 0.000 0.847 274 E CB -0.288 29.375 29.700 -0.062 0.000 0.755 274 E HN 0.862 nan 8.360 nan 0.000 0.459 275 S N -1.434 114.253 115.700 -0.021 0.000 2.595 275 S HA 0.094 4.559 4.470 -0.009 0.000 0.235 275 S C 1.559 176.164 174.600 0.008 0.000 0.974 275 S CA 1.010 59.206 58.200 -0.007 0.000 0.942 275 S CB 0.298 63.495 63.200 -0.006 0.000 0.766 275 S HN 0.433 nan 8.310 nan 0.000 0.536 276 G N 0.286 109.096 108.800 0.018 0.000 2.259 276 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.217 276 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.217 276 G C -0.121 174.807 174.900 0.047 0.000 1.001 276 G CA -0.064 45.059 45.100 0.039 0.000 0.627 276 G HN 0.574 nan 8.290 nan 0.000 0.501 277 E N 0.492 120.717 120.200 0.041 0.000 2.376 277 E HA 0.670 5.014 4.350 -0.009 0.000 0.254 277 E C 1.020 177.665 176.600 0.074 0.000 1.213 277 E CA -0.537 55.892 56.400 0.049 0.000 0.945 277 E CB 0.675 30.398 29.700 0.037 0.000 1.057 277 E HN 0.362 nan 8.360 nan 0.000 0.479 278 L N 1.187 122.457 121.223 0.079 0.000 2.452 278 L HA 0.145 4.479 4.340 -0.009 0.000 0.267 278 L C 0.083 177.022 176.870 0.116 0.000 1.188 278 L CA -0.419 54.485 54.840 0.106 0.000 0.821 278 L CB 0.166 42.276 42.059 0.084 0.000 1.102 278 L HN 0.463 nan 8.230 nan 0.000 0.470 279 F N 3.126 123.056 119.950 -0.033 0.000 2.404 279 F HA 0.360 4.881 4.527 -0.010 0.000 0.359 279 F C -0.375 175.362 175.800 -0.104 0.000 1.134 279 F CA -0.800 57.139 58.000 -0.101 0.000 1.160 279 F CB 0.421 39.315 39.000 -0.176 0.000 1.186 279 F HN -0.050 nan 8.300 nan 0.000 0.526 280 V N 7.240 126.905 119.914 -0.414 0.000 2.370 280 V HA 0.731 4.845 4.120 -0.009 0.000 0.279 280 V C 0.541 176.224 176.094 -0.685 0.000 1.029 280 V CA 0.001 61.983 62.300 -0.530 0.000 0.870 280 V CB 0.545 32.208 31.823 -0.267 0.000 0.984 280 V HN 0.973 nan 8.190 nan 0.000 0.451 281 G N 4.357 112.698 108.800 -0.766 0.000 3.257 281 G HA2 0.663 4.618 3.960 -0.009 0.000 0.205 281 G HA3 0.663 4.618 3.960 -0.009 0.000 0.205 281 G C -1.074 173.665 174.900 -0.269 0.000 1.234 281 G CA -0.591 44.209 45.100 -0.499 0.000 0.918 281 G HN 0.424 nan 8.290 nan 0.000 0.602 282 K N -0.008 120.324 120.400 -0.114 0.000 2.482 282 K HA 0.648 4.963 4.320 -0.009 0.000 0.251 282 K C -0.970 175.654 176.600 0.040 0.000 0.936 282 K CA -0.571 55.690 56.287 -0.043 0.000 0.791 282 K CB 2.228 34.748 32.500 0.032 0.000 1.213 282 K HN 0.382 nan 8.250 nan 0.000 0.428 283 M N 0.382 119.973 119.600 -0.015 0.000 3.385 283 M HA 0.242 4.717 4.480 -0.009 0.000 0.286 283 M C 0.242 176.541 176.300 -0.000 0.000 1.381 283 M CA -0.610 54.654 55.300 -0.060 0.000 0.813 283 M CB 0.817 33.306 32.600 -0.186 0.000 1.731 283 M HN 0.686 nan 8.290 nan 0.000 0.460 284 W N 2.010 123.290 121.300 -0.033 0.000 2.290 284 W HA -0.185 4.469 4.660 -0.009 0.000 0.323 284 W C -0.624 175.754 176.519 -0.235 0.000 1.260 284 W CA 1.091 58.268 57.345 -0.280 0.000 1.266 284 W CB -1.570 27.660 29.460 -0.383 0.000 1.149 284 W HN 0.472 nan 8.180 nan 0.000 0.482 285 P HA 0.144 nan 4.420 nan 0.000 0.242 285 P C 0.807 178.096 177.300 -0.019 0.000 1.197 285 P CA 1.858 64.999 63.100 0.069 0.000 0.765 285 P CB 0.250 31.915 31.700 -0.058 0.000 0.936 286 G N -0.157 108.629 108.800 -0.023 0.000 2.513 286 G HA2 -0.181 3.773 3.960 -0.009 0.000 0.227 286 G HA3 -0.181 3.773 3.960 -0.009 0.000 0.227 286 G C -0.510 174.311 174.900 -0.131 0.000 1.176 286 G CA -0.305 44.761 45.100 -0.056 0.000 0.967 286 G HN 0.165 nan 8.290 nan 0.000 0.587 287 T N 2.061 116.516 114.554 -0.165 0.000 2.867 287 T HA 0.508 4.852 4.350 -0.009 0.000 0.297 287 T C 0.699 175.197 174.700 -0.337 0.000 0.989 287 T CA 1.388 63.349 62.100 -0.232 0.000 1.159 287 T CB 0.329 69.066 68.868 -0.219 0.000 0.928 287 T HN 1.567 nan 8.240 nan 0.000 0.538 288 T N -0.523 113.770 114.554 -0.435 0.000 2.864 288 T HA 0.746 5.090 4.350 -0.009 0.000 0.299 288 T C -0.369 173.846 174.700 -0.810 0.000 1.166 288 T CA -0.953 60.782 62.100 -0.608 0.000 1.007 288 T CB 1.312 69.774 68.868 -0.678 0.000 1.219 288 T HN 0.522 nan 8.240 nan 0.000 0.506 289 V N -0.886 118.512 119.914 -0.860 0.000 3.113 289 V HA 0.878 4.992 4.120 -0.009 0.000 0.316 289 V C -1.639 173.921 176.094 -0.889 0.000 1.125 289 V CA -1.399 60.413 62.300 -0.815 0.000 1.026 289 V CB 1.196 32.559 31.823 -0.766 0.000 1.080 289 V HN 0.984 nan 8.190 nan 0.000 0.444 290 Y N 0.034 120.255 120.300 -0.133 0.000 2.462 290 Y HA 0.692 5.236 4.550 -0.010 0.000 0.346 290 Y C -2.673 173.430 175.900 0.338 0.000 0.976 290 Y CA -2.723 55.464 58.100 0.144 0.000 1.044 290 Y CB 2.255 40.906 38.460 0.318 0.000 1.230 290 Y HN 0.437 nan 8.280 nan 0.000 0.455 291 P HA 0.004 nan 4.420 nan 0.000 0.271 291 P C -0.529 176.706 177.300 -0.107 0.000 1.216 291 P CA -0.077 63.028 63.100 0.008 0.000 0.771 291 P CB 0.645 32.009 31.700 -0.559 0.000 0.864 292 D N 2.891 123.309 120.400 0.031 0.000 2.517 292 D HA 0.090 4.725 4.640 -0.009 0.000 0.220 292 D C 0.339 176.636 176.300 -0.005 0.000 1.158 292 D CA -0.290 53.862 54.000 0.253 0.000 0.992 292 D CB -0.647 40.387 40.800 0.389 0.000 1.058 292 D HN 0.129 nan 8.370 nan 0.000 0.516 293 F N 1.224 121.104 119.950 -0.117 0.000 2.449 293 F HA -0.073 4.448 4.527 -0.009 0.000 0.299 293 F C 1.595 177.124 175.800 -0.452 0.000 1.092 293 F CA 0.426 58.213 58.000 -0.355 0.000 1.446 293 F CB -0.521 38.067 39.000 -0.686 0.000 1.084 293 F HN 0.340 nan 8.300 nan 0.000 0.567 294 F N -0.095 119.758 119.950 -0.163 0.000 2.502 294 F HA 0.003 4.524 4.527 -0.009 0.000 0.298 294 F C 1.336 176.991 175.800 -0.242 0.000 1.111 294 F CA 0.477 58.193 58.000 -0.473 0.000 1.445 294 F CB -0.463 38.341 39.000 -0.327 0.000 1.081 294 F HN -0.272 nan 8.300 nan 0.000 0.558 295 R N 0.547 121.104 120.500 0.095 0.000 2.457 295 R HA 0.155 4.489 4.340 -0.009 0.000 0.284 295 R C 1.202 177.549 176.300 0.077 0.000 1.024 295 R CA -0.346 55.810 56.100 0.093 0.000 1.025 295 R CB 0.787 31.145 30.300 0.096 0.000 1.063 295 R HN 0.201 nan 8.270 nan 0.000 0.493 296 E N 1.384 121.629 120.200 0.074 0.000 2.051 296 E HA -0.223 4.121 4.350 -0.009 0.000 0.192 296 E C 1.219 177.878 176.600 0.098 0.000 0.991 296 E CA 1.619 58.072 56.400 0.088 0.000 0.799 296 E CB 0.079 29.823 29.700 0.073 0.000 0.748 296 E HN 0.665 nan 8.360 nan 0.000 0.449 297 D N 0.237 120.676 120.400 0.065 0.000 2.178 297 D HA -0.145 4.490 4.640 -0.009 0.000 0.201 297 D C 1.756 178.129 176.300 0.123 0.000 0.980 297 D CA 1.303 55.341 54.000 0.064 0.000 0.842 297 D CB -0.742 40.053 40.800 -0.008 0.000 0.948 297 D HN 0.001 nan 8.370 nan 0.000 0.472 298 T N 0.279 114.896 114.554 0.105 0.000 2.737 298 T HA -0.085 4.260 4.350 -0.009 0.000 0.265 298 T C 2.068 177.012 174.700 0.407 0.000 1.038 298 T CA 1.308 63.517 62.100 0.181 0.000 1.144 298 T CB -0.145 68.741 68.868 0.030 0.000 0.866 298 T HN 0.113 nan 8.240 nan 0.000 0.434 299 R N 0.805 121.495 120.500 0.316 0.000 2.091 299 R HA -0.109 4.225 4.340 -0.009 0.000 0.238 299 R C 2.549 179.049 176.300 0.333 0.000 1.136 299 R CA 1.677 57.993 56.100 0.359 0.000 0.959 299 R CB -0.151 30.291 30.300 0.236 0.000 0.856 299 R HN 0.582 nan 8.270 nan 0.000 0.437 300 E N -0.625 119.728 120.200 0.254 0.000 2.072 300 E HA -0.246 4.098 4.350 -0.009 0.000 0.191 300 E C 1.787 178.521 176.600 0.223 0.000 0.985 300 E CA 1.351 57.868 56.400 0.195 0.000 0.801 300 E CB -0.297 29.489 29.700 0.143 0.000 0.750 300 E HN 0.481 nan 8.360 nan 0.000 0.452 301 W N 1.194 122.550 121.300 0.094 0.000 2.355 301 W HA -0.200 4.454 4.660 -0.009 0.000 0.309 301 W C 2.088 178.688 176.519 0.135 0.000 1.206 301 W CA 1.790 59.176 57.345 0.069 0.000 1.284 301 W CB -0.726 28.755 29.460 0.035 0.000 1.145 301 W HN 0.300 nan 8.180 nan 0.000 0.502 302 W N 1.301 122.576 121.300 -0.043 0.000 2.358 302 W HA -0.211 4.443 4.660 -0.010 0.000 0.303 302 W C 2.138 178.536 176.519 -0.201 0.000 1.208 302 W CA 2.714 59.917 57.345 -0.236 0.000 1.274 302 W CB -0.910 28.720 29.460 0.283 0.000 1.138 302 W HN 0.036 nan 8.180 nan 0.000 0.515 303 A N 1.137 124.010 122.820 0.088 0.000 1.940 303 A HA -0.143 4.172 4.320 -0.009 0.000 0.219 303 A C 2.255 179.711 177.584 -0.213 0.000 1.176 303 A CA 2.365 54.382 52.037 -0.033 0.000 0.631 303 A CB -1.591 17.444 19.000 0.059 0.000 0.814 303 A HN 0.381 nan 8.150 nan 0.000 0.446 304 G N -0.203 108.458 108.800 -0.232 0.000 2.421 304 G HA2 -0.156 3.799 3.960 -0.009 0.000 0.216 304 G HA3 -0.156 3.799 3.960 -0.009 0.000 0.216 304 G C 1.554 176.185 174.900 -0.448 0.000 1.171 304 G CA 1.030 45.963 45.100 -0.278 0.000 0.775 304 G HN 0.444 nan 8.290 nan 0.000 0.543 305 L N 0.339 121.127 121.223 -0.725 0.000 2.046 305 L HA -0.056 4.278 4.340 -0.009 0.000 0.208 305 L C 2.838 179.106 176.870 -1.002 0.000 1.077 305 L CA 0.406 54.620 54.840 -1.042 0.000 0.747 305 L CB -0.405 40.702 42.059 -1.586 0.000 0.896 305 L HN 0.110 nan 8.230 nan 0.000 0.432 306 I N -0.470 119.587 120.570 -0.856 0.000 2.142 306 I HA -0.304 3.860 4.170 -0.009 0.000 0.240 306 I C 2.823 178.756 176.117 -0.306 0.000 1.078 306 I CA 1.521 62.521 61.300 -0.499 0.000 1.343 306 I CB -1.096 36.678 38.000 -0.376 0.000 1.046 306 I HN 0.244 nan 8.210 nan 0.000 0.405 307 S N 0.159 115.671 115.700 -0.314 0.000 2.365 307 S HA -0.278 4.187 4.470 -0.009 0.000 0.225 307 S C 2.052 176.527 174.600 -0.208 0.000 1.039 307 S CA 1.994 60.039 58.200 -0.257 0.000 1.033 307 S CB -0.262 62.806 63.200 -0.220 0.000 0.887 307 S HN 0.471 nan 8.310 nan 0.000 0.447 308 E N -0.542 119.529 120.200 -0.216 0.000 2.110 308 E HA -0.185 4.159 4.350 -0.009 0.000 0.193 308 E C 1.927 178.485 176.600 -0.070 0.000 0.988 308 E CA 1.166 57.476 56.400 -0.151 0.000 0.804 308 E CB -0.359 29.229 29.700 -0.185 0.000 0.745 308 E HN 0.817 nan 8.360 nan 0.000 0.458 309 W N 0.896 122.022 121.300 -0.290 0.000 2.388 309 W HA -0.144 4.510 4.660 -0.010 0.000 0.294 309 W C 1.641 178.098 176.519 -0.103 0.000 1.212 309 W CA 0.721 57.974 57.345 -0.154 0.000 1.271 309 W CB -0.052 29.336 29.460 -0.121 0.000 1.126 309 W HN 0.114 nan 8.180 nan 0.000 0.535 310 L N 1.299 122.440 121.223 -0.136 0.000 2.201 310 L HA -0.216 4.118 4.340 -0.009 0.000 0.212 310 L C 2.772 179.522 176.870 -0.201 0.000 1.105 310 L CA 1.549 56.249 54.840 -0.232 0.000 0.775 310 L CB -0.904 40.944 42.059 -0.352 0.000 0.913 310 L HN -0.035 nan 8.230 nan 0.000 0.440 311 S N -0.463 115.136 115.700 -0.168 0.000 2.469 311 S HA -0.211 4.253 4.470 -0.009 0.000 0.238 311 S C 1.667 176.195 174.600 -0.120 0.000 0.998 311 S CA 0.773 58.900 58.200 -0.122 0.000 0.957 311 S CB -0.293 62.849 63.200 -0.096 0.000 0.764 311 S HN 0.577 nan 8.310 nan 0.000 0.514 312 Q N 0.568 120.260 119.800 -0.179 0.000 2.435 312 Q HA 0.338 4.672 4.340 -0.009 0.000 0.207 312 Q C 1.485 177.401 176.000 -0.140 0.000 0.956 312 Q CA 0.469 56.170 55.803 -0.171 0.000 0.917 312 Q CB -0.204 28.387 28.738 -0.245 0.000 0.997 312 Q HN 0.748 nan 8.270 nan 0.000 0.497 313 G N 0.078 108.808 108.800 -0.117 0.000 2.183 313 G HA2 -0.183 3.771 3.960 -0.009 0.000 0.168 313 G HA3 -0.183 3.771 3.960 -0.009 0.000 0.168 313 G C -0.001 174.897 174.900 -0.004 0.000 1.008 313 G CA -0.363 44.738 45.100 0.001 0.000 0.677 313 G HN 0.143 nan 8.290 nan 0.000 0.498 314 V N 1.888 121.724 119.914 -0.130 0.000 2.585 314 V HA 0.188 4.302 4.120 -0.009 0.000 0.296 314 V C 1.151 177.258 176.094 0.022 0.000 1.035 314 V CA 0.864 63.106 62.300 -0.096 0.000 1.084 314 V CB 1.257 32.947 31.823 -0.222 0.000 0.953 314 V HN 0.338 nan 8.190 nan 0.000 0.483 315 D N 3.136 123.591 120.400 0.091 0.000 2.327 315 D HA 0.171 4.805 4.640 -0.009 0.000 0.205 315 D C 0.727 177.315 176.300 0.479 0.000 0.989 315 D CA 0.946 55.067 54.000 0.201 0.000 0.873 315 D CB 1.002 41.791 40.800 -0.019 0.000 0.955 315 D HN 0.699 nan 8.370 nan 0.000 0.515 316 G N 0.187 109.248 108.800 0.435 0.000 2.692 316 G HA2 0.509 4.463 3.960 -0.009 0.000 0.291 316 G HA3 0.509 4.463 3.960 -0.009 0.000 0.291 316 G C -1.428 173.797 174.900 0.541 0.000 1.423 316 G CA -0.482 45.023 45.100 0.675 0.000 0.843 316 G HN -0.118 nan 8.290 nan 0.000 0.486 317 I N 0.418 121.327 120.570 0.565 0.000 2.433 317 I HA 0.413 4.578 4.170 -0.009 0.000 0.292 317 I C -1.330 175.037 176.117 0.417 0.000 1.001 317 I CA -0.932 60.644 61.300 0.460 0.000 1.119 317 I CB 1.860 40.144 38.000 0.474 0.000 1.289 317 I HN 0.622 nan 8.210 nan 0.000 0.438 318 W N 8.636 130.065 121.300 0.214 0.000 2.336 318 W HA 0.521 5.176 4.660 -0.009 0.000 0.315 318 W C -1.566 175.067 176.519 0.190 0.000 1.016 318 W CA -1.363 56.097 57.345 0.192 0.000 1.318 318 W CB 0.624 30.237 29.460 0.255 0.000 1.247 318 W HN 0.296 nan 8.180 nan 0.000 0.414 319 L N 6.808 128.276 121.223 0.408 0.000 2.278 319 L HA 0.227 4.561 4.340 -0.009 0.000 0.287 319 L C 0.133 177.123 176.870 0.199 0.000 1.072 319 L CA 0.060 55.036 54.840 0.227 0.000 0.819 319 L CB 0.578 42.747 42.059 0.184 0.000 1.176 319 L HN 0.328 nan 8.230 nan 0.000 0.435 320 D N 3.610 124.025 120.400 0.025 0.000 2.423 320 D HA 0.476 5.110 4.640 -0.009 0.000 0.235 320 D C 0.458 176.763 176.300 0.009 0.000 1.011 320 D CA -0.306 53.723 54.000 0.050 0.000 0.963 320 D CB 1.273 41.985 40.800 -0.147 0.000 1.349 320 D HN 0.371 nan 8.370 nan 0.000 0.508 321 M N 0.740 120.334 119.600 -0.010 0.000 2.856 321 M HA -0.233 4.241 4.480 -0.009 0.000 0.189 321 M C 0.087 176.111 176.300 -0.459 0.000 0.612 321 M CA 0.528 55.754 55.300 -0.123 0.000 0.673 321 M CB -2.911 29.673 32.600 -0.027 0.000 2.440 321 M HN 0.621 nan 8.290 nan 0.000 0.437 322 N N 0.364 118.861 118.700 -0.339 0.000 2.410 322 N HA 0.141 4.875 4.740 -0.009 0.000 0.231 322 N C 0.733 176.108 175.510 -0.225 0.000 1.172 322 N CA 0.229 53.058 53.050 -0.369 0.000 0.849 322 N CB 0.095 38.502 38.487 -0.133 0.000 1.116 322 N HN 0.300 nan 8.380 nan 0.000 0.485 323 E N 0.765 120.798 120.200 -0.277 0.000 2.118 323 E HA 0.005 4.350 4.350 -0.009 0.000 0.195 323 E C -1.656 174.759 176.600 -0.309 0.000 0.992 323 E CA 0.836 57.108 56.400 -0.214 0.000 0.804 323 E CB -1.081 28.511 29.700 -0.181 0.000 0.741 323 E HN 0.597 nan 8.360 nan 0.000 0.458 324 P HA 0.127 nan 4.420 nan 0.000 0.286 324 P C -0.683 176.234 177.300 -0.640 0.000 1.261 324 P CA -0.010 62.600 63.100 -0.816 0.000 0.821 324 P CB 1.686 32.483 31.700 -1.504 0.000 1.013 325 T N 1.799 116.140 114.554 -0.356 0.000 2.902 325 T HA 0.456 4.800 4.350 -0.009 0.000 0.283 325 T C -0.688 173.910 174.700 -0.171 0.000 1.009 325 T CA 0.104 62.034 62.100 -0.283 0.000 1.051 325 T CB 0.772 69.424 68.868 -0.361 0.000 0.999 325 T HN 0.465 nan 8.240 nan 0.000 0.474 326 D N -0.091 120.118 120.400 -0.317 0.000 2.859 326 D HA 0.423 5.057 4.640 -0.009 0.000 0.223 326 D C -0.831 175.210 176.300 -0.431 0.000 1.218 326 D CA -0.594 53.260 54.000 -0.244 0.000 0.850 326 D CB 0.936 41.753 40.800 0.028 0.000 1.656 326 D HN 0.339 nan 8.370 nan 0.000 0.484 327 F N 1.259 121.213 119.950 0.005 0.000 2.661 327 F HA 0.141 4.662 4.527 -0.010 0.000 0.306 327 F C 2.297 178.096 175.800 -0.002 0.000 1.094 327 F CA -0.006 57.991 58.000 -0.005 0.000 1.254 327 F CB 0.132 39.113 39.000 -0.032 0.000 1.040 327 F HN 0.388 nan 8.300 nan 0.000 0.562 328 S N -0.072 115.700 115.700 0.119 0.000 2.382 328 S HA -0.226 4.238 4.470 -0.009 0.000 0.228 328 S C 2.186 176.823 174.600 0.061 0.000 1.027 328 S CA 1.039 59.280 58.200 0.068 0.000 0.991 328 S CB -0.280 62.935 63.200 0.024 0.000 0.823 328 S HN 0.296 nan 8.310 nan 0.000 0.469 329 R N 1.648 122.186 120.500 0.064 0.000 2.066 329 R HA 0.219 4.553 4.340 -0.009 0.000 0.232 329 R C 2.723 179.040 176.300 0.030 0.000 1.131 329 R CA 1.374 57.496 56.100 0.037 0.000 0.955 329 R CB -1.013 29.306 30.300 0.032 0.000 0.851 329 R HN 0.550 nan 8.270 nan 0.000 0.432 330 A N 0.533 123.400 122.820 0.079 0.000 1.877 330 A HA -0.158 4.156 4.320 -0.009 0.000 0.216 330 A C 2.166 179.764 177.584 0.023 0.000 1.186 330 A CA 1.465 53.542 52.037 0.067 0.000 0.620 330 A CB -0.615 18.496 19.000 0.185 0.000 0.822 330 A HN 0.272 nan 8.150 nan 0.000 0.443 331 I N -0.745 119.862 120.570 0.061 0.000 2.361 331 I HA -0.240 3.924 4.170 -0.009 0.000 0.251 331 I C 2.535 178.653 176.117 0.001 0.000 1.133 331 I CA 1.659 62.979 61.300 0.033 0.000 1.413 331 I CB -0.270 37.760 38.000 0.050 0.000 1.073 331 I HN 0.550 nan 8.210 nan 0.000 0.424 332 E N 1.490 121.688 120.200 -0.004 0.000 2.077 332 E HA -0.225 4.119 4.350 -0.009 0.000 0.193 332 E C 2.302 178.871 176.600 -0.052 0.000 0.989 332 E CA 1.334 57.723 56.400 -0.019 0.000 0.800 332 E CB 0.014 29.706 29.700 -0.013 0.000 0.746 332 E HN 0.449 nan 8.360 nan 0.000 0.452 333 I N 0.723 121.234 120.570 -0.098 0.000 2.252 333 I HA -0.246 3.919 4.170 -0.009 0.000 0.245 333 I C 2.843 178.816 176.117 -0.240 0.000 1.102 333 I CA 0.847 62.025 61.300 -0.203 0.000 1.385 333 I CB -0.347 37.463 38.000 -0.316 0.000 1.064 333 I HN 0.110 nan 8.210 nan 0.000 0.414 334 R N 1.046 121.442 120.500 -0.173 0.000 2.152 334 R HA -0.181 4.153 4.340 -0.009 0.000 0.232 334 R C 1.384 177.707 176.300 0.038 0.000 1.117 334 R CA 1.682 57.760 56.100 -0.038 0.000 0.981 334 R CB -0.335 29.986 30.300 0.034 0.000 0.870 334 R HN 0.358 nan 8.270 nan 0.000 0.451 335 D N -0.288 120.117 120.400 0.009 0.000 2.137 335 D HA -0.067 4.567 4.640 -0.009 0.000 0.202 335 D C 1.943 178.261 176.300 0.030 0.000 0.970 335 D CA 0.863 54.878 54.000 0.025 0.000 0.837 335 D CB 0.031 40.839 40.800 0.012 0.000 0.981 335 D HN 0.051 nan 8.370 nan 0.000 0.475 336 V N 0.744 120.665 119.914 0.012 0.000 2.488 336 V HA -0.080 4.034 4.120 -0.009 0.000 0.246 336 V C 1.984 178.112 176.094 0.057 0.000 1.046 336 V CA 1.047 63.360 62.300 0.021 0.000 1.053 336 V CB -0.124 31.699 31.823 -0.000 0.000 0.679 336 V HN 0.168 nan 8.190 nan 0.000 0.458 337 L N 0.323 121.600 121.223 0.091 0.000 2.910 337 L HA 0.157 4.491 4.340 -0.009 0.000 0.252 337 L C 2.236 179.293 176.870 0.312 0.000 1.195 337 L CA 0.344 55.310 54.840 0.211 0.000 1.003 337 L CB -0.072 42.172 42.059 0.307 0.000 1.328 337 L HN 0.383 nan 8.230 nan 0.000 0.540 338 S N -0.434 115.393 115.700 0.211 0.000 2.359 338 S HA -0.234 4.230 4.470 -0.009 0.000 0.222 338 S C 1.996 176.667 174.600 0.118 0.000 1.038 338 S CA 1.893 60.203 58.200 0.184 0.000 1.051 338 S CB -0.580 62.687 63.200 0.111 0.000 0.944 338 S HN 0.411 nan 8.310 nan 0.000 0.433 339 S N 1.726 117.476 115.700 0.083 0.000 2.447 339 S HA 0.175 4.639 4.470 -0.009 0.000 0.233 339 S C 0.551 175.173 174.600 0.038 0.000 1.006 339 S CA 0.093 58.323 58.200 0.050 0.000 0.957 339 S CB -0.616 62.608 63.200 0.041 0.000 0.773 339 S HN 0.377 nan 8.310 nan 0.000 0.507 340 L N 4.513 125.770 121.223 0.057 0.000 2.462 340 L HA 0.170 4.505 4.340 -0.009 0.000 0.272 340 L C -1.916 174.941 176.870 -0.021 0.000 1.166 340 L CA -1.650 53.211 54.840 0.035 0.000 0.880 340 L CB -0.003 42.101 42.059 0.076 0.000 1.142 340 L HN -0.029 nan 8.230 nan 0.000 0.473 341 P HA 0.050 nan 4.420 nan 0.000 0.228 341 P C -0.401 176.844 177.300 -0.091 0.000 1.748 341 P CA 0.295 63.359 63.100 -0.060 0.000 0.909 341 P CB 0.329 32.010 31.700 -0.033 0.000 1.882 342 V N 0.173 119.992 119.914 -0.159 0.000 3.155 342 V HA 0.417 4.531 4.120 -0.009 0.000 0.313 342 V C -0.802 175.073 176.094 -0.364 0.000 1.162 342 V CA -1.001 61.188 62.300 -0.185 0.000 1.048 342 V CB 2.765 34.525 31.823 -0.105 0.000 1.092 342 V HN 0.129 nan 8.190 nan 0.000 0.447 343 Q N 1.321 120.957 119.800 -0.274 0.000 2.322 343 Q HA 0.475 4.810 4.340 -0.009 0.000 0.265 343 Q C -1.805 174.082 176.000 -0.188 0.000 0.985 343 Q CA -0.572 55.053 55.803 -0.297 0.000 0.849 343 Q CB 1.422 30.085 28.738 -0.124 0.000 1.274 343 Q HN 0.596 nan 8.270 nan 0.000 0.449 344 F N 2.778 122.743 119.950 0.024 0.000 2.399 344 F HA 0.331 4.852 4.527 -0.010 0.000 0.342 344 F C 0.816 176.632 175.800 0.027 0.000 1.106 344 F CA -0.748 57.268 58.000 0.027 0.000 1.196 344 F CB 0.528 39.547 39.000 0.033 0.000 1.163 344 F HN 0.482 nan 8.300 nan 0.000 0.547 345 R N 1.005 121.642 120.500 0.229 0.000 2.582 345 R HA 0.211 4.546 4.340 -0.009 0.000 0.271 345 R C -0.588 175.791 176.300 0.131 0.000 1.078 345 R CA -0.664 55.516 56.100 0.133 0.000 1.127 345 R CB 0.610 30.969 30.300 0.098 0.000 1.038 345 R HN 0.550 nan 8.270 nan 0.000 0.500 346 D N 1.845 122.303 120.400 0.098 0.000 2.524 346 D HA 0.033 4.668 4.640 -0.009 0.000 0.222 346 D C -1.089 175.260 176.300 0.080 0.000 1.142 346 D CA -0.303 53.754 54.000 0.094 0.000 0.973 346 D CB 0.331 41.178 40.800 0.078 0.000 1.025 346 D HN 0.505 nan 8.370 nan 0.000 0.519 347 D N 2.269 122.716 120.400 0.078 0.000 2.411 347 D HA 0.084 4.719 4.640 -0.009 0.000 0.225 347 D C 1.332 177.676 176.300 0.073 0.000 1.156 347 D CA -0.414 53.626 54.000 0.065 0.000 0.874 347 D CB 0.658 41.489 40.800 0.052 0.000 1.034 347 D HN 0.077 nan 8.370 nan 0.000 0.502 348 R N 3.043 123.588 120.500 0.075 0.000 2.152 348 R HA -0.054 4.280 4.340 -0.009 0.000 0.232 348 R C 1.656 178.000 176.300 0.073 0.000 1.117 348 R CA 0.546 56.693 56.100 0.078 0.000 0.981 348 R CB -0.330 30.007 30.300 0.062 0.000 0.870 348 R HN 0.587 nan 8.270 nan 0.000 0.451 349 L N 0.415 121.683 121.223 0.076 0.000 2.353 349 L HA -0.106 4.228 4.340 -0.009 0.000 0.220 349 L C 2.346 179.265 176.870 0.080 0.000 1.133 349 L CA 0.461 55.359 54.840 0.096 0.000 0.798 349 L CB -0.405 41.708 42.059 0.090 0.000 0.922 349 L HN -0.010 nan 8.230 nan 0.000 0.445 350 V N 0.042 119.995 119.914 0.065 0.000 2.913 350 V HA -0.189 3.925 4.120 -0.009 0.000 0.260 350 V C 2.346 178.470 176.094 0.050 0.000 1.098 350 V CA 2.102 64.435 62.300 0.055 0.000 1.121 350 V CB -0.317 31.537 31.823 0.052 0.000 0.714 350 V HN 0.708 nan 8.190 nan 0.000 0.487 351 T N -2.103 112.473 114.554 0.037 0.000 3.129 351 T HA 0.071 4.415 4.350 -0.009 0.000 0.251 351 T C 0.836 175.480 174.700 -0.094 0.000 1.117 351 T CA 0.523 62.590 62.100 -0.056 0.000 1.034 351 T CB -0.688 68.137 68.868 -0.071 0.000 0.968 351 T HN 0.657 nan 8.240 nan 0.000 0.526 352 T N -0.397 114.151 114.554 -0.009 0.000 2.824 352 T HA 0.567 4.911 4.350 -0.009 0.000 0.277 352 T C -0.093 174.660 174.700 0.089 0.000 0.975 352 T CA -0.907 61.190 62.100 -0.007 0.000 0.966 352 T CB 0.262 69.165 68.868 0.059 0.000 1.054 352 T HN 0.008 nan 8.240 nan 0.000 0.533 353 F N 2.032 121.821 119.950 -0.268 0.000 2.553 353 F HA 0.356 4.877 4.527 -0.009 0.000 0.356 353 F C -1.646 173.962 175.800 -0.320 0.000 1.142 353 F CA -2.031 55.693 58.000 -0.461 0.000 1.322 353 F CB -0.660 37.713 39.000 -1.045 0.000 1.126 353 F HN 0.436 nan 8.300 nan 0.000 0.599 354 P HA 0.020 nan 4.420 nan 0.000 0.271 354 P C 0.452 177.669 177.300 -0.139 0.000 1.244 354 P CA -0.025 62.969 63.100 -0.177 0.000 0.793 354 P CB 0.642 32.196 31.700 -0.244 0.000 0.984 355 D N 0.142 120.500 120.400 -0.070 0.000 2.277 355 D HA -0.093 4.541 4.640 -0.009 0.000 0.208 355 D C 1.005 177.261 176.300 -0.075 0.000 0.962 355 D CA 0.901 54.883 54.000 -0.031 0.000 0.865 355 D CB -0.254 40.536 40.800 -0.015 0.000 0.939 355 D HN 0.456 nan 8.370 nan 0.000 0.510 356 N N 0.644 119.266 118.700 -0.130 0.000 2.383 356 N HA -0.047 4.688 4.740 -0.009 0.000 0.192 356 N C 0.221 175.612 175.510 -0.199 0.000 1.141 356 N CA 0.009 52.978 53.050 -0.134 0.000 0.851 356 N CB 0.045 38.468 38.487 -0.106 0.000 0.976 356 N HN -0.107 nan 8.380 nan 0.000 0.465 357 V N 1.616 121.355 119.914 -0.292 0.000 2.583 357 V HA 0.264 4.378 4.120 -0.009 0.000 0.287 357 V C 0.512 176.444 176.094 -0.269 0.000 1.051 357 V CA -0.758 61.304 62.300 -0.396 0.000 1.010 357 V CB 1.250 32.656 31.823 -0.696 0.000 0.988 357 V HN 0.243 nan 8.190 nan 0.000 0.478 358 V N 2.590 122.311 119.914 -0.321 0.000 3.001 358 V HA 0.743 4.857 4.120 -0.009 0.000 0.314 358 V C -0.712 175.100 176.094 -0.470 0.000 1.099 358 V CA -0.647 61.455 62.300 -0.331 0.000 0.989 358 V CB 2.279 33.943 31.823 -0.265 0.000 1.040 358 V HN 0.851 nan 8.190 nan 0.000 0.434 359 H N 0.899 119.889 119.070 -0.133 0.000 2.907 359 H HA 0.545 5.095 4.556 -0.009 0.000 0.361 359 H C -1.820 173.328 175.328 -0.299 0.000 1.194 359 H CA -0.469 55.549 56.048 -0.050 0.000 1.152 359 H CB 2.213 31.970 29.762 -0.009 0.000 1.867 359 H HN 0.780 nan 8.280 nan 0.000 0.561 360 Y N 1.253 121.664 120.300 0.185 0.000 2.464 360 Y HA 0.207 4.751 4.550 -0.009 0.000 0.326 360 Y C -0.350 175.608 175.900 0.095 0.000 0.969 360 Y CA -0.647 57.511 58.100 0.097 0.000 1.270 360 Y CB 1.040 39.546 38.460 0.078 0.000 1.103 360 Y HN 0.214 nan 8.280 nan 0.000 0.491 361 L N 4.803 126.116 121.223 0.150 0.000 2.272 361 L HA 0.527 4.861 4.340 -0.009 0.000 0.289 361 L C 0.388 177.409 176.870 0.252 0.000 1.032 361 L CA -0.558 54.360 54.840 0.130 0.000 0.810 361 L CB 0.549 42.627 42.059 0.032 0.000 1.205 361 L HN 0.676 nan 8.230 nan 0.000 0.422 362 R N 4.424 125.020 120.500 0.160 0.000 3.322 362 R HA -0.236 4.098 4.340 -0.009 0.000 0.253 362 R C 1.047 177.480 176.300 0.222 0.000 0.987 362 R CA 0.670 56.869 56.100 0.165 0.000 0.666 362 R CB -2.093 28.274 30.300 0.112 0.000 1.072 362 R HN 1.255 nan 8.270 nan 0.000 0.447 363 G N -0.330 108.591 108.800 0.201 0.000 2.212 363 G HA2 -0.412 3.542 3.960 -0.009 0.000 0.266 363 G HA3 -0.412 3.542 3.960 -0.009 0.000 0.266 363 G C 0.118 175.149 174.900 0.217 0.000 0.978 363 G CA 0.875 46.088 45.100 0.188 0.000 0.632 363 G HN 0.469 nan 8.290 nan 0.000 0.537 364 K N 0.396 120.915 120.400 0.199 0.000 2.138 364 K HA 0.582 4.896 4.320 -0.009 0.000 0.263 364 K C 0.301 176.869 176.600 -0.054 0.000 0.965 364 K CA -0.995 55.304 56.287 0.021 0.000 0.868 364 K CB 0.706 33.047 32.500 -0.266 0.000 1.083 364 K HN 0.175 nan 8.250 nan 0.000 0.443 365 R N 3.263 123.654 120.500 -0.182 0.000 2.248 365 R HA 0.195 4.530 4.340 -0.009 0.000 0.328 365 R C -0.660 175.455 176.300 -0.308 0.000 1.067 365 R CA -0.449 55.389 56.100 -0.437 0.000 0.924 365 R CB 0.470 30.527 30.300 -0.405 0.000 1.013 365 R HN 0.468 nan 8.270 nan 0.000 0.454 366 V N 0.453 120.198 119.914 -0.282 0.000 2.914 366 V HA 0.542 4.656 4.120 -0.009 0.000 0.314 366 V C -0.613 175.393 176.094 -0.147 0.000 1.084 366 V CA -1.295 60.892 62.300 -0.188 0.000 0.963 366 V CB 2.015 33.757 31.823 -0.135 0.000 1.025 366 V HN 0.646 nan 8.190 nan 0.000 0.432 367 K N 0.825 121.164 120.400 -0.101 0.000 2.270 367 K HA 0.213 4.527 4.320 -0.009 0.000 0.276 367 K C 0.921 177.531 176.600 0.017 0.000 1.023 367 K CA -0.104 56.150 56.287 -0.054 0.000 0.955 367 K CB 0.723 33.198 32.500 -0.043 0.000 0.975 367 K HN 0.976 nan 8.250 nan 0.000 0.471 368 H N 2.986 122.055 119.070 -0.003 0.000 2.387 368 H HA -0.177 4.373 4.556 -0.010 0.000 0.299 368 H C 1.526 176.916 175.328 0.103 0.000 1.099 368 H CA 2.472 58.601 56.048 0.135 0.000 1.315 368 H CB 0.342 30.169 29.762 0.107 0.000 1.380 368 H HN 0.762 nan 8.280 nan 0.000 0.513 369 E N -0.140 120.085 120.200 0.042 0.000 2.338 369 E HA -0.151 4.194 4.350 -0.009 0.000 0.197 369 E C 1.530 178.147 176.600 0.028 0.000 1.007 369 E CA 0.813 57.261 56.400 0.079 0.000 0.849 369 E CB 0.056 29.823 29.700 0.112 0.000 0.774 369 E HN 0.322 nan 8.360 nan 0.000 0.506 370 K N 0.944 121.327 120.400 -0.029 0.000 2.186 370 K HA 0.007 4.322 4.320 -0.009 0.000 0.202 370 K C 2.010 178.572 176.600 -0.064 0.000 1.052 370 K CA 1.267 57.538 56.287 -0.027 0.000 0.965 370 K CB 0.722 33.206 32.500 -0.028 0.000 0.746 370 K HN 0.320 nan 8.250 nan 0.000 0.457 371 V N -2.281 117.541 119.914 -0.154 0.000 3.346 371 V HA 0.266 4.381 4.120 -0.009 0.000 0.309 371 V C 1.887 177.884 176.094 -0.162 0.000 1.457 371 V CA -0.221 61.963 62.300 -0.194 0.000 1.069 371 V CB 0.226 31.799 31.823 -0.417 0.000 0.944 371 V HN 0.012 nan 8.190 nan 0.000 0.449 372 R N 1.969 122.261 120.500 -0.347 0.000 2.162 372 R HA -0.255 4.079 4.340 -0.009 0.000 0.245 372 R C 1.964 178.140 176.300 -0.207 0.000 1.129 372 R CA 2.834 58.623 56.100 -0.519 0.000 0.940 372 R CB -0.399 29.467 30.300 -0.724 0.000 0.875 372 R HN 0.624 nan 8.270 nan 0.000 0.437 373 N N 0.109 118.697 118.700 -0.186 0.000 2.430 373 N HA -0.143 4.592 4.740 -0.009 0.000 0.186 373 N C 1.209 176.668 175.510 -0.085 0.000 1.032 373 N CA 1.319 54.309 53.050 -0.100 0.000 0.893 373 N CB -0.207 38.288 38.487 0.013 0.000 0.957 373 N HN 0.417 nan 8.380 nan 0.000 0.442 374 A N -0.551 122.186 122.820 -0.139 0.000 2.218 374 A HA -0.008 4.306 4.320 -0.009 0.000 0.209 374 A C 1.834 179.478 177.584 0.101 0.000 1.168 374 A CA -0.156 51.858 52.037 -0.038 0.000 0.804 374 A CB -0.485 18.543 19.000 0.045 0.000 0.834 374 A HN 0.292 nan 8.150 nan 0.000 0.482 375 Y N 2.090 122.363 120.300 -0.045 0.000 2.081 375 Y HA -0.189 4.355 4.550 -0.010 0.000 0.280 375 Y C -0.400 175.371 175.900 -0.213 0.000 1.163 375 Y CA 2.890 60.843 58.100 -0.244 0.000 1.135 375 Y CB -0.644 37.734 38.460 -0.137 0.000 0.970 375 Y HN 0.321 nan 8.280 nan 0.000 0.498 376 P HA -0.193 nan 4.420 nan 0.000 0.218 376 P C 1.816 179.006 177.300 -0.184 0.000 1.149 376 P CA 1.386 64.423 63.100 -0.105 0.000 0.817 376 P CB -0.188 31.507 31.700 -0.009 0.000 0.785 377 L N -0.666 120.486 121.223 -0.119 0.000 2.017 377 L HA -0.138 4.197 4.340 -0.009 0.000 0.208 377 L C 2.551 179.214 176.870 -0.344 0.000 1.073 377 L CA 1.913 56.667 54.840 -0.143 0.000 0.745 377 L CB -1.620 40.388 42.059 -0.085 0.000 0.894 377 L HN -0.194 nan 8.230 nan 0.000 0.432 378 Y N 0.022 120.108 120.300 -0.357 0.000 2.352 378 Y HA -0.158 4.386 4.550 -0.009 0.000 0.292 378 Y C 2.687 178.191 175.900 -0.660 0.000 1.136 378 Y CA 1.595 59.425 58.100 -0.450 0.000 1.227 378 Y CB -0.306 37.826 38.460 -0.547 0.000 0.991 378 Y HN 0.421 nan 8.280 nan 0.000 0.545 379 E N 0.128 119.816 120.200 -0.853 0.000 2.072 379 E HA -0.183 4.162 4.350 -0.009 0.000 0.190 379 E C 2.344 178.523 176.600 -0.701 0.000 0.982 379 E CA 0.938 56.466 56.400 -1.453 0.000 0.803 379 E CB -0.133 28.648 29.700 -1.533 0.000 0.755 379 E HN 0.380 nan 8.360 nan 0.000 0.453 380 A N 1.515 124.078 122.820 -0.429 0.000 1.933 380 A HA -0.195 4.119 4.320 -0.009 0.000 0.218 380 A C 2.232 179.568 177.584 -0.414 0.000 1.175 380 A CA 1.613 53.508 52.037 -0.237 0.000 0.628 380 A CB -0.627 18.326 19.000 -0.079 0.000 0.814 380 A HN 0.469 nan 8.150 nan 0.000 0.444 381 M N -0.284 118.889 119.600 -0.711 0.000 2.080 381 M HA -0.175 4.300 4.480 -0.009 0.000 0.260 381 M C 2.268 178.334 176.300 -0.391 0.000 1.068 381 M CA 1.927 56.589 55.300 -1.063 0.000 1.109 381 M CB -0.262 31.904 32.600 -0.723 0.000 1.342 381 M HN 0.413 nan 8.290 nan 0.000 0.405 382 A N -0.630 122.080 122.820 -0.183 0.000 1.969 382 A HA -0.128 4.187 4.320 -0.009 0.000 0.218 382 A C 2.013 179.750 177.584 0.255 0.000 1.169 382 A CA 2.134 54.228 52.037 0.095 0.000 0.635 382 A CB -1.113 18.001 19.000 0.190 0.000 0.810 382 A HN 0.605 nan 8.150 nan 0.000 0.445 383 T N -1.168 113.524 114.554 0.230 0.000 2.857 383 T HA -0.057 4.288 4.350 -0.009 0.000 0.266 383 T C 1.579 176.473 174.700 0.322 0.000 1.048 383 T CA 1.306 63.616 62.100 0.350 0.000 1.139 383 T CB -0.340 68.744 68.868 0.359 0.000 0.874 383 T HN 0.460 nan 8.240 nan 0.000 0.455 384 F N 2.145 122.101 119.950 0.011 0.000 2.134 384 F HA 0.003 4.524 4.527 -0.010 0.000 0.299 384 F C 2.322 178.183 175.800 0.102 0.000 1.097 384 F CA 1.292 59.291 58.000 -0.001 0.000 1.264 384 F CB -0.096 38.812 39.000 -0.154 0.000 1.001 384 F HN -0.054 nan 8.300 nan 0.000 0.479 385 K N -0.008 120.525 120.400 0.221 0.000 2.209 385 K HA -0.114 4.201 4.320 -0.009 0.000 0.204 385 K C 2.227 178.868 176.600 0.067 0.000 1.048 385 K CA 1.299 57.672 56.287 0.143 0.000 0.940 385 K CB -0.691 31.884 32.500 0.124 0.000 0.729 385 K HN 0.400 nan 8.250 nan 0.000 0.451 386 G N 0.120 108.971 108.800 0.086 0.000 2.422 386 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.218 386 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.218 386 G C 1.140 175.978 174.900 -0.102 0.000 1.140 386 G CA 0.333 45.415 45.100 -0.030 0.000 0.775 386 G HN 0.234 nan 8.290 nan 0.000 0.545 387 F N 0.925 120.780 119.950 -0.158 0.000 2.163 387 F HA 0.101 4.623 4.527 -0.009 0.000 0.297 387 F C 2.812 178.496 175.800 -0.193 0.000 1.094 387 F CA 0.855 58.744 58.000 -0.185 0.000 1.290 387 F CB 0.024 38.847 39.000 -0.294 0.000 1.017 387 F HN -0.084 nan 8.300 nan 0.000 0.483 388 R N -0.169 120.310 120.500 -0.035 0.000 2.073 388 R HA -0.100 4.234 4.340 -0.009 0.000 0.234 388 R C 2.092 178.289 176.300 -0.173 0.000 1.134 388 R CA 1.737 57.803 56.100 -0.057 0.000 0.952 388 R CB -1.801 28.500 30.300 0.001 0.000 0.850 388 R HN 0.191 nan 8.270 nan 0.000 0.433 389 T N 0.978 115.429 114.554 -0.173 0.000 2.849 389 T HA -0.068 4.276 4.350 -0.009 0.000 0.270 389 T C 1.560 176.016 174.700 -0.405 0.000 1.066 389 T CA 1.497 63.441 62.100 -0.261 0.000 1.130 389 T CB -0.080 68.692 68.868 -0.159 0.000 0.864 389 T HN 0.195 nan 8.240 nan 0.000 0.481 390 S N -0.158 115.359 115.700 -0.306 0.000 2.556 390 S HA 0.058 4.522 4.470 -0.009 0.000 0.216 390 S C 0.014 174.540 174.600 -0.123 0.000 0.970 390 S CA -0.383 57.679 58.200 -0.230 0.000 0.912 390 S CB -0.071 63.012 63.200 -0.195 0.000 0.790 390 S HN 0.519 nan 8.310 nan 0.000 0.504 391 H N 0.444 119.517 119.070 0.004 0.000 2.741 391 H HA -0.135 4.415 4.556 -0.009 0.000 0.305 391 H C 0.302 175.658 175.328 0.047 0.000 1.169 391 H CA 0.638 56.703 56.048 0.027 0.000 1.144 391 H CB -1.255 28.519 29.762 0.020 0.000 1.397 391 H HN 0.230 nan 8.280 nan 0.000 0.409 392 R N 1.825 122.400 120.500 0.124 0.000 2.198 392 R HA 0.205 4.540 4.340 -0.009 0.000 0.339 392 R C 1.032 177.450 176.300 0.197 0.000 1.020 392 R CA -0.319 55.884 56.100 0.172 0.000 0.864 392 R CB 0.338 30.758 30.300 0.200 0.000 1.105 392 R HN 0.178 nan 8.270 nan 0.000 0.463 393 N N 2.617 121.428 118.700 0.185 0.000 2.333 393 N HA -0.064 4.671 4.740 -0.009 0.000 0.178 393 N C -0.591 175.035 175.510 0.194 0.000 1.018 393 N CA 0.737 53.889 53.050 0.170 0.000 0.882 393 N CB 0.324 38.904 38.487 0.155 0.000 0.984 393 N HN 0.608 nan 8.380 nan 0.000 0.434 394 E N 1.429 121.776 120.200 0.246 0.000 1.996 394 E HA 0.271 4.616 4.350 -0.009 0.000 0.280 394 E C -0.289 176.482 176.600 0.284 0.000 1.092 394 E CA -0.036 56.526 56.400 0.270 0.000 0.862 394 E CB 0.944 30.891 29.700 0.412 0.000 1.066 394 E HN 0.192 nan 8.360 nan 0.000 0.396 395 I N 3.247 123.891 120.570 0.123 0.000 2.359 395 I HA 0.348 4.512 4.170 -0.009 0.000 0.294 395 I C -0.581 175.492 176.117 -0.073 0.000 0.987 395 I CA -0.834 60.328 61.300 -0.230 0.000 1.225 395 I CB 0.811 38.515 38.000 -0.493 0.000 1.366 395 I HN 0.396 nan 8.210 nan 0.000 0.466 396 F N 8.057 127.768 119.950 -0.399 0.000 2.579 396 F HA 0.648 5.169 4.527 -0.009 0.000 0.325 396 F C -1.260 174.445 175.800 -0.159 0.000 1.162 396 F CA -0.508 57.375 58.000 -0.196 0.000 0.946 396 F CB 0.948 39.868 39.000 -0.132 0.000 1.211 396 F HN 0.175 nan 8.300 nan 0.000 0.447 397 I N 7.175 127.198 120.570 -0.911 0.000 2.569 397 I HA 0.385 4.549 4.170 -0.009 0.000 0.290 397 I C -1.475 174.285 176.117 -0.596 0.000 1.088 397 I CA -0.777 60.193 61.300 -0.550 0.000 1.047 397 I CB 2.227 40.073 38.000 -0.257 0.000 1.237 397 I HN 0.489 nan 8.210 nan 0.000 0.421 398 L N 4.756 125.771 121.223 -0.347 0.000 2.341 398 L HA 0.627 4.961 4.340 -0.009 0.000 0.278 398 L C -0.526 176.484 176.870 0.232 0.000 1.005 398 L CA -0.117 54.644 54.840 -0.132 0.000 0.818 398 L CB 1.974 43.940 42.059 -0.156 0.000 1.259 398 L HN 0.644 nan 8.230 nan 0.000 0.418 399 S N 3.215 119.082 115.700 0.278 0.000 2.548 399 S HA 0.457 4.922 4.470 -0.009 0.000 0.286 399 S C 0.399 175.176 174.600 0.295 0.000 1.098 399 S CA -0.635 57.741 58.200 0.293 0.000 0.930 399 S CB 2.297 65.573 63.200 0.127 0.000 1.070 399 S HN 0.833 nan 8.310 nan 0.000 0.480 400 R N 1.911 122.504 120.500 0.156 0.000 2.075 400 R HA 0.406 4.740 4.340 -0.009 0.000 0.220 400 R C 0.822 176.973 176.300 -0.249 0.000 1.118 400 R CA 1.019 56.913 56.100 -0.343 0.000 0.986 400 R CB -0.256 29.747 30.300 -0.494 0.000 0.884 400 R HN 0.692 nan 8.270 nan 0.000 0.439 401 A N -0.413 122.354 122.820 -0.088 0.000 2.248 401 A HA 0.721 5.035 4.320 -0.009 0.000 0.316 401 A C -0.227 177.366 177.584 0.014 0.000 1.101 401 A CA -0.061 51.965 52.037 -0.017 0.000 0.875 401 A CB 1.299 20.291 19.000 -0.013 0.000 1.207 401 A HN 0.456 nan 8.150 nan 0.000 0.504 402 G N -2.230 106.601 108.800 0.053 0.000 2.441 402 G HA2 0.524 4.479 3.960 -0.009 0.000 0.294 402 G HA3 0.524 4.479 3.960 -0.009 0.000 0.294 402 G C -1.902 173.112 174.900 0.189 0.000 1.393 402 G CA -0.173 44.979 45.100 0.086 0.000 0.796 402 G HN 1.457 nan 8.290 nan 0.000 0.494 403 Y N -0.185 120.140 120.300 0.042 0.000 2.705 403 Y HA 0.699 5.244 4.550 -0.009 0.000 0.332 403 Y C 0.221 176.185 175.900 0.106 0.000 1.221 403 Y CA -0.350 57.809 58.100 0.100 0.000 1.059 403 Y CB 1.382 39.917 38.460 0.125 0.000 1.298 403 Y HN 1.336 nan 8.280 nan 0.000 0.459 404 A N 1.468 123.850 122.820 -0.730 0.000 2.584 404 A HA 0.391 4.706 4.320 -0.009 0.000 0.239 404 A C 1.292 178.781 177.584 -0.158 0.000 1.043 404 A CA 1.491 53.270 52.037 -0.430 0.000 0.756 404 A CB -1.379 17.331 19.000 -0.484 0.000 0.963 404 A HN 2.053 nan 8.150 nan 0.000 0.511 405 G N 1.628 110.304 108.800 -0.206 0.000 2.213 405 G HA2 -0.243 3.711 3.960 -0.009 0.000 0.236 405 G HA3 -0.243 3.711 3.960 -0.009 0.000 0.236 405 G C 0.900 175.690 174.900 -0.183 0.000 0.991 405 G CA 0.624 45.622 45.100 -0.170 0.000 0.629 405 G HN 1.365 nan 8.290 nan 0.000 0.517 406 I N 2.034 122.550 120.570 -0.091 0.000 2.423 406 I HA -0.154 4.010 4.170 -0.009 0.000 0.254 406 I C 2.814 178.852 176.117 -0.132 0.000 1.151 406 I CA 2.566 63.837 61.300 -0.050 0.000 1.421 406 I CB -0.113 37.891 38.000 0.006 0.000 1.079 406 I HN 0.533 nan 8.210 nan 0.000 0.431 407 Q N 0.721 120.408 119.800 -0.188 0.000 2.364 407 Q HA -0.227 4.107 4.340 -0.009 0.000 0.209 407 Q C 1.989 177.860 176.000 -0.215 0.000 0.977 407 Q CA 1.390 57.078 55.803 -0.191 0.000 0.885 407 Q CB -0.807 27.775 28.738 -0.261 0.000 0.941 407 Q HN 0.517 nan 8.270 nan 0.000 0.464 408 R N -0.532 119.672 120.500 -0.495 0.000 2.148 408 R HA -0.080 4.254 4.340 -0.009 0.000 0.227 408 R C 0.888 176.628 176.300 -0.934 0.000 1.103 408 R CA 1.670 57.282 56.100 -0.813 0.000 0.983 408 R CB -0.061 29.335 30.300 -1.506 0.000 0.874 408 R HN 0.385 nan 8.270 nan 0.000 0.451 409 Y N -1.995 118.096 120.300 -0.349 0.000 2.423 409 Y HA 0.519 5.063 4.550 -0.010 0.000 0.257 409 Y C 0.413 176.031 175.900 -0.470 0.000 1.087 409 Y CA -0.390 57.365 58.100 -0.574 0.000 1.258 409 Y CB 0.816 39.026 38.460 -0.417 0.000 1.237 409 Y HN -0.035 nan 8.280 nan 0.000 0.517 410 A N -0.791 122.050 122.820 0.035 0.000 2.599 410 A HA 0.646 4.961 4.320 -0.009 0.000 0.290 410 A C -1.692 176.121 177.584 0.382 0.000 1.101 410 A CA -0.635 51.508 52.037 0.177 0.000 0.674 410 A CB 0.549 19.587 19.000 0.063 0.000 1.277 410 A HN -0.058 nan 8.150 nan 0.000 0.419 411 F N 0.034 120.015 119.950 0.052 0.000 2.370 411 F HA 0.680 5.201 4.527 -0.010 0.000 0.324 411 F C 0.492 176.273 175.800 -0.032 0.000 1.116 411 F CA -0.398 57.608 58.000 0.011 0.000 1.123 411 F CB 1.146 39.990 39.000 -0.259 0.000 1.238 411 F HN 0.309 nan 8.300 nan 0.000 0.536 412 I N 1.462 122.134 120.570 0.171 0.000 2.533 412 I HA 0.242 4.406 4.170 -0.009 0.000 0.290 412 I C -1.359 174.887 176.117 0.215 0.000 1.056 412 I CA -0.732 60.655 61.300 0.145 0.000 1.057 412 I CB 1.908 39.935 38.000 0.044 0.000 1.240 412 I HN 0.729 nan 8.210 nan 0.000 0.423 413 W N 4.941 126.238 121.300 -0.004 0.000 2.706 413 W HA 0.506 5.160 4.660 -0.010 0.000 0.346 413 W C 0.608 177.168 176.519 0.068 0.000 1.071 413 W CA -0.770 56.628 57.345 0.089 0.000 1.206 413 W CB 0.956 30.495 29.460 0.132 0.000 1.413 413 W HN 0.558 nan 8.180 nan 0.000 0.542 414 T N 1.320 115.811 114.554 -0.105 0.000 3.439 414 T HA 0.383 4.728 4.350 -0.009 0.000 0.251 414 T C 0.975 175.516 174.700 -0.266 0.000 1.108 414 T CA 0.430 62.432 62.100 -0.164 0.000 0.982 414 T CB -1.228 67.716 68.868 0.127 0.000 1.024 414 T HN 1.700 nan 8.240 nan 0.000 0.573 415 G N 2.012 110.131 108.800 -1.135 0.000 2.569 415 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.259 415 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.259 415 G C -0.638 174.381 174.900 0.198 0.000 1.263 415 G CA -0.171 44.524 45.100 -0.675 0.000 0.928 415 G HN 0.496 nan 8.290 nan 0.000 0.572 416 D N 2.635 123.208 120.400 0.288 0.000 2.600 416 D HA 0.221 4.855 4.640 -0.009 0.000 0.226 416 D C 1.149 177.584 176.300 0.225 0.000 1.119 416 D CA 0.196 54.358 54.000 0.270 0.000 1.051 416 D CB -0.700 40.244 40.800 0.240 0.000 1.106 416 D HN 0.619 nan 8.370 nan 0.000 0.491 417 N N -0.329 118.497 118.700 0.210 0.000 2.424 417 N HA 0.095 4.830 4.740 -0.009 0.000 0.257 417 N C -0.270 175.269 175.510 0.050 0.000 1.250 417 N CA -0.176 52.837 53.050 -0.061 0.000 0.946 417 N CB 0.580 39.171 38.487 0.173 0.000 1.175 417 N HN -0.195 nan 8.380 nan 0.000 0.477 418 T N 1.202 115.753 114.554 -0.005 0.000 2.779 418 T HA 0.386 4.731 4.350 -0.009 0.000 0.280 418 T C -2.597 172.147 174.700 0.074 0.000 0.987 418 T CA -1.114 61.027 62.100 0.068 0.000 0.966 418 T CB 1.434 70.392 68.868 0.150 0.000 0.933 418 T HN 0.421 nan 8.240 nan 0.000 0.442 419 P HA 0.274 nan 4.420 nan 0.000 0.266 419 P C -0.652 176.686 177.300 0.063 0.000 1.215 419 P CA 0.059 63.182 63.100 0.039 0.000 0.763 419 P CB 0.363 32.003 31.700 -0.100 0.000 0.806 420 S N 1.793 117.547 115.700 0.091 0.000 2.622 420 S HA 0.205 4.669 4.470 -0.009 0.000 0.275 420 S C -0.175 174.386 174.600 -0.064 0.000 1.112 420 S CA -0.884 57.330 58.200 0.022 0.000 0.837 420 S CB -0.162 63.099 63.200 0.101 0.000 1.082 420 S HN 0.260 nan 8.310 nan 0.000 0.456 421 W N 1.187 122.511 121.300 0.039 0.000 2.363 421 W HA 0.019 4.671 4.660 -0.013 0.000 0.296 421 W C 1.664 178.175 176.519 -0.013 0.000 1.212 421 W CA 1.582 58.925 57.345 -0.004 0.000 1.260 421 W CB -0.294 29.170 29.460 0.006 0.000 1.131 421 W HN 0.748 nan 8.180 nan 0.000 0.530 422 D N -0.372 120.152 120.400 0.206 0.000 2.178 422 D HA -0.186 4.448 4.640 -0.009 0.000 0.202 422 D C 1.409 177.752 176.300 0.071 0.000 0.974 422 D CA 1.643 55.714 54.000 0.118 0.000 0.841 422 D CB -0.647 40.205 40.800 0.086 0.000 0.953 422 D HN 0.205 nan 8.370 nan 0.000 0.478 423 D N 0.241 120.682 120.400 0.069 0.000 2.263 423 D HA -0.091 4.543 4.640 -0.009 0.000 0.208 423 D C 2.198 178.522 176.300 0.040 0.000 0.971 423 D CA 0.401 54.454 54.000 0.088 0.000 0.867 423 D CB -0.053 40.847 40.800 0.167 0.000 0.929 423 D HN 0.134 nan 8.370 nan 0.000 0.492 424 L N -0.019 121.153 121.223 -0.086 0.000 2.012 424 L HA -0.174 4.160 4.340 -0.009 0.000 0.210 424 L C 2.488 179.371 176.870 0.021 0.000 1.073 424 L CA 1.241 55.994 54.840 -0.145 0.000 0.748 424 L CB -0.382 41.567 42.059 -0.182 0.000 0.891 424 L HN 0.042 nan 8.230 nan 0.000 0.431 425 K N -0.170 120.261 120.400 0.051 0.000 2.097 425 K HA -0.129 4.185 4.320 -0.009 0.000 0.205 425 K C 2.128 178.776 176.600 0.080 0.000 1.050 425 K CA 0.894 57.225 56.287 0.074 0.000 0.938 425 K CB -0.115 32.425 32.500 0.067 0.000 0.718 425 K HN 0.253 nan 8.250 nan 0.000 0.442 426 L N 1.256 122.524 121.223 0.074 0.000 2.017 426 L HA -0.243 4.091 4.340 -0.009 0.000 0.208 426 L C 2.339 179.289 176.870 0.133 0.000 1.073 426 L CA 1.477 56.368 54.840 0.086 0.000 0.745 426 L CB -0.227 41.894 42.059 0.104 0.000 0.894 426 L HN 0.291 nan 8.230 nan 0.000 0.432 427 Q N -0.539 119.367 119.800 0.178 0.000 2.135 427 Q HA -0.230 4.105 4.340 -0.009 0.000 0.204 427 Q C 2.098 178.189 176.000 0.152 0.000 0.981 427 Q CA 1.252 57.186 55.803 0.218 0.000 0.856 427 Q CB -0.551 28.377 28.738 0.316 0.000 0.902 427 Q HN 0.364 nan 8.270 nan 0.000 0.425 428 L N 1.049 122.365 121.223 0.154 0.000 2.056 428 L HA -0.173 4.161 4.340 -0.009 0.000 0.207 428 L C 2.148 179.029 176.870 0.019 0.000 1.078 428 L CA 1.762 56.663 54.840 0.101 0.000 0.749 428 L CB -0.563 41.586 42.059 0.150 0.000 0.901 428 L HN 0.229 nan 8.230 nan 0.000 0.433 429 Q N -1.635 118.200 119.800 0.058 0.000 2.119 429 Q HA -0.178 4.156 4.340 -0.009 0.000 0.201 429 Q C 2.077 178.096 176.000 0.031 0.000 0.972 429 Q CA 0.978 56.818 55.803 0.061 0.000 0.847 429 Q CB -0.158 28.638 28.738 0.097 0.000 0.903 429 Q HN 0.306 nan 8.270 nan 0.000 0.433 430 L N 0.273 121.514 121.223 0.029 0.000 1.994 430 L HA -0.156 4.178 4.340 -0.009 0.000 0.208 430 L C 2.469 179.304 176.870 -0.058 0.000 1.071 430 L CA 1.574 56.416 54.840 0.004 0.000 0.745 430 L CB -1.222 40.858 42.059 0.035 0.000 0.892 430 L HN 0.236 nan 8.230 nan 0.000 0.431 431 V N -3.460 116.377 119.914 -0.127 0.000 2.427 431 V HA -0.182 3.932 4.120 -0.009 0.000 0.248 431 V C 2.290 178.241 176.094 -0.239 0.000 1.051 431 V CA 1.243 63.395 62.300 -0.246 0.000 1.048 431 V CB -0.766 30.719 31.823 -0.564 0.000 0.666 431 V HN 0.355 nan 8.190 nan 0.000 0.456 432 L N 1.089 122.190 121.223 -0.203 0.000 2.156 432 L HA 0.091 4.425 4.340 -0.009 0.000 0.208 432 L C 2.816 179.632 176.870 -0.090 0.000 1.095 432 L CA 1.464 56.206 54.840 -0.163 0.000 0.770 432 L CB -1.114 40.871 42.059 -0.122 0.000 0.914 432 L HN 0.506 nan 8.230 nan 0.000 0.439 433 G N -0.085 108.686 108.800 -0.048 0.000 2.408 433 G HA2 -0.218 3.737 3.960 -0.009 0.000 0.217 433 G HA3 -0.218 3.737 3.960 -0.009 0.000 0.217 433 G C 1.526 176.387 174.900 -0.065 0.000 1.150 433 G CA 0.205 45.293 45.100 -0.021 0.000 0.776 433 G HN 0.099 nan 8.290 nan 0.000 0.542 434 L N 1.019 122.190 121.223 -0.087 0.000 2.056 434 L HA 0.049 4.383 4.340 -0.009 0.000 0.207 434 L C 3.028 179.817 176.870 -0.134 0.000 1.078 434 L CA 1.938 56.715 54.840 -0.105 0.000 0.749 434 L CB -0.898 41.102 42.059 -0.098 0.000 0.901 434 L HN 0.279 nan 8.230 nan 0.000 0.433 435 S N -0.859 114.750 115.700 -0.151 0.000 2.368 435 S HA -0.168 4.296 4.470 -0.009 0.000 0.225 435 S C 1.928 176.431 174.600 -0.162 0.000 1.030 435 S CA 1.195 59.286 58.200 -0.181 0.000 0.999 435 S CB -0.321 62.756 63.200 -0.206 0.000 0.844 435 S HN 0.316 nan 8.310 nan 0.000 0.459 436 I N 1.273 121.775 120.570 -0.113 0.000 3.176 436 I HA 0.137 4.301 4.170 -0.009 0.000 0.275 436 I C 1.095 177.165 176.117 -0.079 0.000 1.298 436 I CA 0.707 61.982 61.300 -0.041 0.000 1.445 436 I CB -0.088 37.960 38.000 0.079 0.000 1.075 436 I HN 0.125 nan 8.210 nan 0.000 0.482 437 S N 0.221 115.837 115.700 -0.141 0.000 2.574 437 S HA 0.454 4.918 4.470 -0.009 0.000 0.242 437 S C 1.305 175.744 174.600 -0.268 0.000 0.982 437 S CA 0.327 58.387 58.200 -0.235 0.000 0.977 437 S CB 0.199 63.281 63.200 -0.197 0.000 0.814 437 S HN 0.640 nan 8.310 nan 0.000 0.464 438 G N 0.771 109.462 108.800 -0.182 0.000 2.175 438 G HA2 -0.233 3.721 3.960 -0.009 0.000 0.244 438 G HA3 -0.233 3.721 3.960 -0.009 0.000 0.244 438 G C 0.037 174.841 174.900 -0.160 0.000 0.982 438 G CA -0.064 44.982 45.100 -0.090 0.000 0.641 438 G HN 0.458 nan 8.290 nan 0.000 0.527 439 V N 2.534 122.334 119.914 -0.191 0.000 2.275 439 V HA 0.356 4.471 4.120 -0.009 0.000 0.272 439 V C -0.290 175.627 176.094 -0.294 0.000 1.028 439 V CA -0.601 61.559 62.300 -0.232 0.000 0.810 439 V CB 1.482 33.210 31.823 -0.157 0.000 1.043 439 V HN 0.183 nan 8.190 nan 0.000 0.453 440 P HA -0.008 nan 4.420 nan 0.000 0.218 440 P C 0.274 177.337 177.300 -0.395 0.000 1.152 440 P CA 0.734 63.518 63.100 -0.526 0.000 0.826 440 P CB 0.261 31.482 31.700 -0.798 0.000 0.790 441 F N 2.396 122.153 119.950 -0.323 0.000 2.406 441 F HA 0.273 4.794 4.527 -0.010 0.000 0.358 441 F C 0.951 176.566 175.800 -0.309 0.000 1.161 441 F CA -1.487 56.190 58.000 -0.537 0.000 1.185 441 F CB -0.346 37.792 39.000 -1.438 0.000 1.421 441 F HN -0.186 nan 8.300 nan 0.000 0.576 442 V N -0.257 119.717 119.914 0.100 0.000 3.141 442 V HA 1.134 5.249 4.120 -0.009 0.000 0.312 442 V C -0.210 176.069 176.094 0.309 0.000 1.157 442 V CA -0.761 61.630 62.300 0.151 0.000 1.041 442 V CB 1.707 33.522 31.823 -0.014 0.000 1.071 442 V HN 0.778 nan 8.190 nan 0.000 0.441 443 G N -1.039 107.982 108.800 0.368 0.000 2.430 443 G HA2 0.692 4.646 3.960 -0.009 0.000 0.300 443 G HA3 0.692 4.646 3.960 -0.009 0.000 0.300 443 G C -0.946 174.251 174.900 0.495 0.000 1.330 443 G CA 0.033 45.436 45.100 0.505 0.000 0.813 443 G HN 2.126 nan 8.290 nan 0.000 0.487 444 C N -1.241 118.371 119.300 0.521 0.000 3.154 444 C HA 0.806 5.261 4.460 -0.009 0.000 0.312 444 C C -1.055 174.144 174.990 0.349 0.000 1.349 444 C CA -1.168 58.135 59.018 0.474 0.000 1.518 444 C CB 1.711 29.716 27.740 0.442 0.000 1.934 444 C HN 0.624 nan 8.230 nan 0.000 0.462 445 D N 1.897 122.503 120.400 0.344 0.000 2.346 445 D HA 0.303 4.937 4.640 -0.009 0.000 0.260 445 D C 0.327 176.581 176.300 -0.077 0.000 1.252 445 D CA 0.551 54.635 54.000 0.141 0.000 0.895 445 D CB 0.585 41.553 40.800 0.280 0.000 1.097 445 D HN 0.528 nan 8.370 nan 0.000 0.489 446 I N 1.606 122.028 120.570 -0.247 0.000 2.662 446 I HA 0.066 4.230 4.170 -0.009 0.000 0.285 446 I C 1.670 177.442 176.117 -0.576 0.000 1.161 446 I CA 0.520 61.546 61.300 -0.457 0.000 1.415 446 I CB 0.410 37.939 38.000 -0.785 0.000 1.385 446 I HN 0.656 nan 8.210 nan 0.000 0.552 447 G N 4.030 112.233 108.800 -0.995 0.000 2.195 447 G HA2 -0.080 3.874 3.960 -0.009 0.000 0.246 447 G HA3 -0.080 3.874 3.960 -0.009 0.000 0.246 447 G C 0.584 174.983 174.900 -0.834 0.000 0.984 447 G CA -0.100 44.476 45.100 -0.873 0.000 0.633 447 G HN 1.580 nan 8.290 nan 0.000 0.525 448 G N -1.525 106.822 108.800 -0.755 0.000 2.850 448 G HA2 0.139 4.094 3.960 -0.009 0.000 0.686 448 G HA3 0.139 4.094 3.960 -0.009 0.000 0.686 448 G C 0.234 175.080 174.900 -0.090 0.000 1.164 448 G CA 0.216 45.128 45.100 -0.313 0.000 0.826 448 G HN 1.559 nan 8.290 nan 0.000 0.586 449 F N 2.061 121.985 119.950 -0.045 0.000 2.098 449 F HA 0.122 4.644 4.527 -0.010 0.000 0.294 449 F C 1.797 177.582 175.800 -0.024 0.000 1.107 449 F CA 1.720 59.721 58.000 0.001 0.000 1.234 449 F CB -0.090 39.014 39.000 0.174 0.000 1.002 449 F HN 0.603 nan 8.300 nan 0.000 0.472 450 Q N 1.239 120.963 119.800 -0.127 0.000 2.310 450 Q HA 0.064 4.398 4.340 -0.009 0.000 0.315 450 Q C 0.925 176.703 176.000 -0.369 0.000 1.081 450 Q CA 0.803 56.457 55.803 -0.248 0.000 0.981 450 Q CB 0.282 29.005 28.738 -0.025 0.000 1.184 450 Q HN 0.515 nan 8.270 nan 0.000 0.389 451 G N 2.357 110.922 108.800 -0.391 0.000 2.568 451 G HA2 0.073 4.027 3.960 -0.009 0.000 0.212 451 G HA3 0.073 4.027 3.960 -0.009 0.000 0.212 451 G C 0.057 174.771 174.900 -0.310 0.000 1.821 451 G CA -0.120 44.781 45.100 -0.332 0.000 0.904 451 G HN 0.520 nan 8.290 nan 0.000 0.566 452 R N 0.716 121.058 120.500 -0.264 0.000 2.579 452 R HA 0.188 4.523 4.340 -0.009 0.000 0.386 452 R C 0.436 176.631 176.300 -0.175 0.000 1.065 452 R CA -0.182 55.774 56.100 -0.240 0.000 1.143 452 R CB 0.298 30.498 30.300 -0.166 0.000 1.357 452 R HN 0.448 nan 8.270 nan 0.000 0.644 453 N N 0.955 119.554 118.700 -0.169 0.000 2.336 453 N HA 0.010 4.744 4.740 -0.009 0.000 0.189 453 N C -0.166 175.450 175.510 0.176 0.000 1.113 453 N CA 0.176 53.240 53.050 0.023 0.000 0.858 453 N CB 0.257 38.814 38.487 0.118 0.000 0.970 453 N HN 0.218 nan 8.380 nan 0.000 0.471 454 F N -4.425 115.523 119.950 -0.003 0.000 2.688 454 F HA 0.707 5.229 4.527 -0.009 0.000 0.308 454 F C 0.728 176.531 175.800 0.004 0.000 1.117 454 F CA -1.241 56.764 58.000 0.007 0.000 0.976 454 F CB 0.568 39.580 39.000 0.021 0.000 1.291 454 F HN -0.156 nan 8.300 nan 0.000 0.439 455 A N 0.472 123.406 122.820 0.191 0.000 1.948 455 A HA -0.123 4.191 4.320 -0.009 0.000 0.220 455 A C 1.172 178.812 177.584 0.093 0.000 1.177 455 A CA 1.931 54.027 52.037 0.097 0.000 0.636 455 A CB -0.875 18.188 19.000 0.106 0.000 0.815 455 A HN 0.775 nan 8.150 nan 0.000 0.449 456 E N -0.104 120.251 120.200 0.258 0.000 2.528 456 E HA 0.305 4.649 4.350 -0.009 0.000 0.237 456 E C -0.561 176.106 176.600 0.111 0.000 1.408 456 E CA 0.205 56.739 56.400 0.223 0.000 1.571 456 E CB -0.513 29.374 29.700 0.312 0.000 1.395 456 E HN 0.600 nan 8.360 nan 0.000 0.438 457 I N 0.439 120.952 120.570 -0.094 0.000 2.433 457 I HA 0.229 4.393 4.170 -0.009 0.000 0.292 457 I C -0.351 175.713 176.117 -0.089 0.000 1.001 457 I CA -0.980 60.211 61.300 -0.182 0.000 1.119 457 I CB 1.784 39.520 38.000 -0.439 0.000 1.289 457 I HN -0.114 nan 8.210 nan 0.000 0.438 458 D N 5.964 126.336 120.400 -0.047 0.000 2.427 458 D HA 0.204 4.838 4.640 -0.009 0.000 0.226 458 D C -0.126 176.140 176.300 -0.057 0.000 1.076 458 D CA -0.213 53.777 54.000 -0.016 0.000 0.849 458 D CB 0.797 41.621 40.800 0.040 0.000 1.052 458 D HN 0.379 nan 8.370 nan 0.000 0.515 459 N N 1.790 120.452 118.700 -0.064 0.000 2.295 459 N HA -0.005 4.729 4.740 -0.009 0.000 0.221 459 N C 0.124 175.594 175.510 -0.067 0.000 1.129 459 N CA -0.106 52.894 53.050 -0.083 0.000 0.836 459 N CB 0.475 38.902 38.487 -0.100 0.000 1.040 459 N HN 0.381 nan 8.380 nan 0.000 0.494 460 S N -0.365 115.314 115.700 -0.036 0.000 2.568 460 S HA 0.130 4.595 4.470 -0.009 0.000 0.282 460 S C 1.567 176.104 174.600 -0.105 0.000 1.338 460 S CA -0.312 57.870 58.200 -0.031 0.000 1.045 460 S CB 1.132 64.375 63.200 0.071 0.000 0.873 460 S HN 0.112 nan 8.310 nan 0.000 0.516 461 M N 1.367 120.831 119.600 -0.226 0.000 2.254 461 M HA -0.074 4.400 4.480 -0.009 0.000 0.265 461 M C 1.792 177.860 176.300 -0.387 0.000 1.066 461 M CA 1.348 56.387 55.300 -0.436 0.000 1.123 461 M CB -0.524 31.532 32.600 -0.908 0.000 1.388 461 M HN 0.885 nan 8.290 nan 0.000 0.425 462 D N 0.675 120.963 120.400 -0.187 0.000 2.224 462 D HA -0.158 4.477 4.640 -0.009 0.000 0.205 462 D C 1.896 178.259 176.300 0.104 0.000 0.965 462 D CA 0.879 54.973 54.000 0.157 0.000 0.852 462 D CB -0.569 40.467 40.800 0.393 0.000 0.947 462 D HN 0.381 nan 8.370 nan 0.000 0.494 463 L N -0.187 120.997 121.223 -0.066 0.000 2.072 463 L HA -0.086 4.248 4.340 -0.009 0.000 0.205 463 L C 2.455 179.252 176.870 -0.122 0.000 1.079 463 L CA 0.697 55.261 54.840 -0.460 0.000 0.752 463 L CB -0.220 41.484 42.059 -0.590 0.000 0.906 463 L HN 0.040 nan 8.230 nan 0.000 0.436 464 L N -0.361 120.864 121.223 0.004 0.000 2.042 464 L HA -0.191 4.143 4.340 -0.009 0.000 0.210 464 L C 2.312 179.337 176.870 0.260 0.000 1.076 464 L CA 1.752 56.672 54.840 0.132 0.000 0.749 464 L CB -0.598 41.498 42.059 0.062 0.000 0.893 464 L HN 0.015 nan 8.230 nan 0.000 0.432 465 V N -0.229 119.799 119.914 0.191 0.000 2.407 465 V HA -0.245 3.869 4.120 -0.009 0.000 0.248 465 V C 2.663 178.890 176.094 0.221 0.000 1.055 465 V CA 1.630 64.073 62.300 0.239 0.000 1.049 465 V CB -0.789 31.165 31.823 0.220 0.000 0.662 465 V HN 0.412 nan 8.190 nan 0.000 0.455 466 K N -0.909 119.559 120.400 0.113 0.000 2.211 466 K HA -0.132 4.183 4.320 -0.009 0.000 0.203 466 K C 1.977 178.574 176.600 -0.005 0.000 1.050 466 K CA 1.398 57.707 56.287 0.037 0.000 0.945 466 K CB -0.510 31.927 32.500 -0.104 0.000 0.732 466 K HN 0.529 nan 8.250 nan 0.000 0.451 467 Y N -0.168 120.108 120.300 -0.040 0.000 2.163 467 Y HA -0.204 4.340 4.550 -0.010 0.000 0.288 467 Y C 2.218 178.050 175.900 -0.113 0.000 1.136 467 Y CA 1.381 59.418 58.100 -0.105 0.000 1.147 467 Y CB -0.526 37.822 38.460 -0.187 0.000 0.987 467 Y HN 0.025 nan 8.280 nan 0.000 0.509 468 Y N -1.008 119.358 120.300 0.110 0.000 2.207 468 Y HA -0.291 4.254 4.550 -0.009 0.000 0.287 468 Y C 2.488 178.469 175.900 0.136 0.000 1.156 468 Y CA 1.371 59.514 58.100 0.071 0.000 1.182 468 Y CB -0.711 37.797 38.460 0.080 0.000 0.979 468 Y HN 0.109 nan 8.280 nan 0.000 0.521 469 A N -0.728 122.254 122.820 0.269 0.000 1.929 469 A HA -0.110 4.204 4.320 -0.009 0.000 0.216 469 A C 2.126 179.862 177.584 0.253 0.000 1.176 469 A CA 1.236 53.415 52.037 0.236 0.000 0.628 469 A CB -0.934 18.202 19.000 0.227 0.000 0.816 469 A HN 0.438 nan 8.150 nan 0.000 0.444 470 L N -0.258 121.043 121.223 0.129 0.000 2.046 470 L HA -0.005 4.329 4.340 -0.009 0.000 0.208 470 L C 2.234 178.993 176.870 -0.186 0.000 1.077 470 L CA 2.241 57.120 54.840 0.065 0.000 0.747 470 L CB -0.377 41.652 42.059 -0.050 0.000 0.896 470 L HN 0.269 nan 8.230 nan 0.000 0.432 471 A N -1.153 121.420 122.820 -0.411 0.000 2.337 471 A HA 0.112 4.426 4.320 -0.009 0.000 0.227 471 A C 1.825 179.354 177.584 -0.092 0.000 1.259 471 A CA 0.380 51.868 52.037 -0.915 0.000 0.870 471 A CB -0.822 17.881 19.000 -0.495 0.000 0.927 471 A HN 0.469 nan 8.150 nan 0.000 0.497 472 L N -1.079 120.128 121.223 -0.028 0.000 2.064 472 L HA -0.170 4.164 4.340 -0.009 0.000 0.216 472 L C 1.322 177.849 176.870 -0.571 0.000 1.077 472 L CA 2.308 56.925 54.840 -0.371 0.000 0.766 472 L CB -0.593 41.032 42.059 -0.723 0.000 0.890 472 L HN 0.430 nan 8.230 nan 0.000 0.435 473 F N -1.987 118.023 119.950 0.101 0.000 2.653 473 F HA 0.252 4.773 4.527 -0.010 0.000 0.304 473 F C 0.552 176.652 175.800 0.500 0.000 1.092 473 F CA -1.093 57.042 58.000 0.225 0.000 1.279 473 F CB -0.291 38.829 39.000 0.200 0.000 1.044 473 F HN -0.209 nan 8.300 nan 0.000 0.564 474 F N 2.061 122.268 119.950 0.427 0.000 2.506 474 F HA 0.174 4.697 4.527 -0.007 0.000 0.351 474 F C -1.044 174.997 175.800 0.402 0.000 1.136 474 F CA -3.021 55.192 58.000 0.355 0.000 1.298 474 F CB -0.073 39.120 39.000 0.323 0.000 1.145 474 F HN -0.141 nan 8.300 nan 0.000 0.593 475 P HA -0.173 nan 4.420 nan 0.000 0.215 475 P C 0.044 177.767 177.300 0.705 0.000 1.157 475 P CA 1.312 64.820 63.100 0.680 0.000 0.863 475 P CB 0.126 32.180 31.700 0.590 0.000 0.787 476 F N -0.098 120.152 119.950 0.500 0.000 2.391 476 F HA 0.354 4.877 4.527 -0.008 0.000 0.359 476 F C -0.645 175.425 175.800 0.450 0.000 1.122 476 F CA -1.350 56.930 58.000 0.466 0.000 1.120 476 F CB 0.098 39.407 39.000 0.515 0.000 1.142 476 F HN -0.145 nan 8.300 nan 0.000 0.483 477 Y N 7.443 127.599 120.300 -0.240 0.000 2.842 477 Y HA 0.448 4.991 4.550 -0.011 0.000 0.334 477 Y C -0.548 175.115 175.900 -0.396 0.000 1.019 477 Y CA -0.573 57.413 58.100 -0.190 0.000 1.258 477 Y CB 0.108 38.571 38.460 0.004 0.000 1.106 477 Y HN 0.644 nan 8.280 nan 0.000 0.545 478 R N 2.761 122.844 120.500 -0.695 0.000 2.686 478 R HA 0.569 4.904 4.340 -0.009 0.000 0.283 478 R C -1.267 174.760 176.300 -0.456 0.000 0.978 478 R CA -0.608 55.093 56.100 -0.666 0.000 0.897 478 R CB 1.778 31.419 30.300 -1.098 0.000 1.192 478 R HN 0.488 nan 8.270 nan 0.000 0.457 479 S N 2.025 117.539 115.700 -0.309 0.000 2.429 479 S HA 0.319 4.783 4.470 -0.009 0.000 0.302 479 S C -1.390 173.160 174.600 -0.083 0.000 1.115 479 S CA -0.432 57.653 58.200 -0.192 0.000 1.095 479 S CB 0.536 63.717 63.200 -0.031 0.000 0.987 479 S HN 0.663 nan 8.310 nan 0.000 0.474 480 H N 2.565 121.535 119.070 -0.167 0.000 2.894 480 H HA 0.726 5.277 4.556 -0.010 0.000 0.367 480 H C -1.043 174.308 175.328 0.038 0.000 1.144 480 H CA -0.557 55.450 56.048 -0.069 0.000 1.180 480 H CB 1.471 31.173 29.762 -0.100 0.000 1.758 480 H HN 0.581 nan 8.280 nan 0.000 0.541 481 K N 2.727 122.911 120.400 -0.360 0.000 2.502 481 K HA 0.791 5.106 4.320 -0.009 0.000 0.257 481 K C -1.253 175.061 176.600 -0.477 0.000 0.938 481 K CA -0.231 55.839 56.287 -0.362 0.000 0.819 481 K CB 1.914 34.272 32.500 -0.237 0.000 1.333 481 K HN 0.699 nan 8.250 nan 0.000 0.434 482 A N 1.346 123.733 122.820 -0.722 0.000 2.386 482 A HA 0.231 4.546 4.320 -0.009 0.000 0.246 482 A C 0.720 178.097 177.584 -0.345 0.000 1.089 482 A CA 0.532 52.187 52.037 -0.635 0.000 0.790 482 A CB -0.300 18.131 19.000 -0.949 0.000 1.042 482 A HN 0.886 nan 8.150 nan 0.000 0.497 483 T N 0.796 115.141 114.554 -0.347 0.000 2.699 483 T HA -0.177 4.167 4.350 -0.009 0.000 0.268 483 T C 1.086 175.638 174.700 -0.247 0.000 1.036 483 T CA 1.923 63.810 62.100 -0.354 0.000 1.147 483 T CB -0.345 68.246 68.868 -0.460 0.000 0.862 483 T HN 0.876 nan 8.240 nan 0.000 0.446 484 D N 1.376 121.642 120.400 -0.224 0.000 2.325 484 D HA 0.179 4.813 4.640 -0.009 0.000 0.225 484 D C 0.787 176.972 176.300 -0.191 0.000 1.096 484 D CA -0.289 53.604 54.000 -0.178 0.000 0.844 484 D CB -0.516 40.202 40.800 -0.138 0.000 0.925 484 D HN 0.383 nan 8.370 nan 0.000 0.513 485 G N 1.109 109.772 108.800 -0.229 0.000 2.476 485 G HA2 0.481 4.436 3.960 -0.009 0.000 0.286 485 G HA3 0.481 4.436 3.960 -0.009 0.000 0.286 485 G C 0.717 175.507 174.900 -0.183 0.000 1.177 485 G CA -0.900 44.066 45.100 -0.224 0.000 0.870 485 G HN 0.362 nan 8.290 nan 0.000 0.528 486 I N -1.201 119.273 120.570 -0.160 0.000 2.993 486 I HA 0.140 4.304 4.170 -0.009 0.000 0.286 486 I C -0.523 175.516 176.117 -0.130 0.000 1.215 486 I CA -0.552 60.664 61.300 -0.140 0.000 1.393 486 I CB 0.522 38.454 38.000 -0.114 0.000 1.371 486 I HN 0.199 nan 8.210 nan 0.000 0.602 487 D N 3.662 123.973 120.400 -0.148 0.000 2.371 487 D HA 0.059 4.694 4.640 -0.009 0.000 0.256 487 D C 1.027 177.347 176.300 0.033 0.000 1.193 487 D CA 0.354 54.290 54.000 -0.107 0.000 0.881 487 D CB 1.342 41.906 40.800 -0.393 0.000 1.143 487 D HN 0.779 nan 8.370 nan 0.000 0.473 488 T N -1.010 113.600 114.554 0.093 0.000 3.092 488 T HA 0.092 4.436 4.350 -0.009 0.000 0.258 488 T C 0.456 175.273 174.700 0.195 0.000 1.031 488 T CA -0.533 61.635 62.100 0.113 0.000 0.925 488 T CB 0.295 69.182 68.868 0.031 0.000 1.036 488 T HN 0.060 nan 8.240 nan 0.000 0.544 489 E N 3.012 123.385 120.200 0.290 0.000 2.414 489 E HA 0.208 4.553 4.350 -0.009 0.000 0.263 489 E C -1.707 174.893 176.600 -0.000 0.000 1.000 489 E CA -2.197 54.300 56.400 0.161 0.000 0.914 489 E CB 0.553 30.331 29.700 0.131 0.000 0.948 489 E HN 0.114 nan 8.360 nan 0.000 0.444 490 P HA -0.219 nan 4.420 nan 0.000 0.216 490 P C 1.130 178.253 177.300 -0.296 0.000 1.150 490 P CA 1.213 64.091 63.100 -0.371 0.000 0.843 490 P CB 0.031 31.131 31.700 -1.001 0.000 0.787 491 V N -5.278 114.365 119.914 -0.451 0.000 3.026 491 V HA -0.137 3.978 4.120 -0.009 0.000 0.265 491 V C 1.373 177.244 176.094 -0.373 0.000 1.121 491 V CA 1.625 63.693 62.300 -0.387 0.000 1.142 491 V CB -1.767 29.732 31.823 -0.540 0.000 0.730 491 V HN -0.056 nan 8.190 nan 0.000 0.503 492 F N 0.286 120.232 119.950 -0.007 0.000 2.693 492 F HA 0.522 5.043 4.527 -0.011 0.000 0.303 492 F C 0.854 176.674 175.800 0.033 0.000 1.097 492 F CA -0.912 57.096 58.000 0.012 0.000 1.330 492 F CB -0.249 38.751 39.000 0.001 0.000 1.067 492 F HN 0.084 nan 8.300 nan 0.000 0.565 493 L N 0.933 122.256 121.223 0.167 0.000 2.379 493 L HA 0.406 4.741 4.340 -0.009 0.000 0.269 493 L C -2.066 174.919 176.870 0.193 0.000 1.084 493 L CA -2.055 52.891 54.840 0.177 0.000 0.802 493 L CB 0.657 42.816 42.059 0.166 0.000 1.175 493 L HN -0.233 nan 8.230 nan 0.000 0.448 494 P HA 0.009 nan 4.420 nan 0.000 0.269 494 P C -0.034 177.384 177.300 0.197 0.000 1.209 494 P CA -0.223 63.008 63.100 0.219 0.000 0.776 494 P CB 0.515 32.382 31.700 0.278 0.000 0.876 495 D N 0.729 121.209 120.400 0.133 0.000 2.170 495 D HA -0.256 4.378 4.640 -0.009 0.000 0.193 495 D C 1.591 177.933 176.300 0.070 0.000 1.004 495 D CA 1.784 55.840 54.000 0.093 0.000 0.860 495 D CB -0.551 40.289 40.800 0.067 0.000 0.931 495 D HN 0.496 nan 8.370 nan 0.000 0.448 496 Y N 0.573 120.832 120.300 -0.068 0.000 2.081 496 Y HA -0.337 4.195 4.550 -0.030 0.000 0.280 496 Y C 2.149 177.909 175.900 -0.233 0.000 1.163 496 Y CA 1.725 59.700 58.100 -0.208 0.000 1.135 496 Y CB -0.603 37.631 38.460 -0.377 0.000 0.970 496 Y HN -0.011 nan 8.280 nan 0.000 0.498 497 Y N 0.095 120.424 120.300 0.048 0.000 2.286 497 Y HA -0.065 4.486 4.550 0.002 0.000 0.293 497 Y C 2.562 178.433 175.900 -0.047 0.000 1.124 497 Y CA 1.501 59.583 58.100 -0.031 0.000 1.178 497 Y CB -0.643 37.877 38.460 0.101 0.000 1.010 497 Y HN 0.074 nan 8.280 nan 0.000 0.536 498 K N 0.392 120.884 120.400 0.152 0.000 2.063 498 K HA -0.211 4.103 4.320 -0.009 0.000 0.208 498 K C 1.940 178.600 176.600 0.100 0.000 1.048 498 K CA 1.656 58.030 56.287 0.144 0.000 0.928 498 K CB -0.006 32.590 32.500 0.161 0.000 0.713 498 K HN 0.076 nan 8.250 nan 0.000 0.442 499 E N 1.001 121.195 120.200 -0.010 0.000 2.106 499 E HA -0.146 4.198 4.350 -0.009 0.000 0.192 499 E C 1.800 178.338 176.600 -0.103 0.000 0.984 499 E CA 1.156 57.511 56.400 -0.075 0.000 0.806 499 E CB 0.101 29.732 29.700 -0.115 0.000 0.750 499 E HN 0.344 nan 8.360 nan 0.000 0.458 500 K N 0.054 120.370 120.400 -0.140 0.000 2.057 500 K HA -0.067 4.247 4.320 -0.009 0.000 0.206 500 K C 2.187 178.746 176.600 -0.069 0.000 1.050 500 K CA 1.059 57.270 56.287 -0.126 0.000 0.935 500 K CB -0.023 32.386 32.500 -0.152 0.000 0.715 500 K HN -0.036 nan 8.250 nan 0.000 0.439 501 V N 1.773 121.644 119.914 -0.072 0.000 2.427 501 V HA -0.238 3.877 4.120 -0.009 0.000 0.248 501 V C 2.309 178.378 176.094 -0.042 0.000 1.051 501 V CA 1.585 63.772 62.300 -0.189 0.000 1.048 501 V CB -0.363 31.217 31.823 -0.405 0.000 0.666 501 V HN 0.313 nan 8.190 nan 0.000 0.456 502 K N 0.204 120.630 120.400 0.044 0.000 2.063 502 K HA -0.229 4.086 4.320 -0.009 0.000 0.208 502 K C 2.109 178.638 176.600 -0.119 0.000 1.048 502 K CA 1.938 58.129 56.287 -0.160 0.000 0.928 502 K CB -0.106 32.170 32.500 -0.373 0.000 0.713 502 K HN 0.590 nan 8.250 nan 0.000 0.442 503 E N 0.225 120.380 120.200 -0.075 0.000 2.150 503 E HA -0.146 4.199 4.350 -0.009 0.000 0.193 503 E C 2.047 178.657 176.600 0.017 0.000 0.985 503 E CA 0.992 57.376 56.400 -0.028 0.000 0.814 503 E CB -0.024 29.660 29.700 -0.027 0.000 0.752 503 E HN 0.366 nan 8.360 nan 0.000 0.466 504 I N 0.668 121.243 120.570 0.007 0.000 2.202 504 I HA -0.227 3.937 4.170 -0.009 0.000 0.242 504 I C 2.306 178.416 176.117 -0.011 0.000 1.091 504 I CA 0.740 62.056 61.300 0.027 0.000 1.368 504 I CB -0.111 37.931 38.000 0.070 0.000 1.058 504 I HN -0.025 nan 8.210 nan 0.000 0.410 505 V N 0.770 120.678 119.914 -0.009 0.000 2.407 505 V HA -0.259 3.855 4.120 -0.009 0.000 0.248 505 V C 2.292 178.437 176.094 0.085 0.000 1.055 505 V CA 1.838 64.124 62.300 -0.024 0.000 1.049 505 V CB -0.695 31.128 31.823 -0.000 0.000 0.662 505 V HN 0.441 nan 8.190 nan 0.000 0.455 506 E N -0.150 120.103 120.200 0.088 0.000 2.106 506 E HA -0.227 4.117 4.350 -0.009 0.000 0.192 506 E C 2.113 178.800 176.600 0.145 0.000 0.984 506 E CA 1.168 57.648 56.400 0.134 0.000 0.806 506 E CB -0.205 29.523 29.700 0.047 0.000 0.750 506 E HN 0.418 nan 8.360 nan 0.000 0.458 507 L N 1.352 122.642 121.223 0.111 0.000 2.141 507 L HA -0.136 4.198 4.340 -0.009 0.000 0.209 507 L C 2.330 179.275 176.870 0.126 0.000 1.094 507 L CA 1.574 56.515 54.840 0.168 0.000 0.763 507 L CB -0.243 41.930 42.059 0.189 0.000 0.908 507 L HN -0.063 nan 8.230 nan 0.000 0.437 508 R N -1.875 118.578 120.500 -0.077 0.000 2.066 508 R HA -0.214 4.121 4.340 -0.009 0.000 0.232 508 R C 2.267 178.515 176.300 -0.086 0.000 1.131 508 R CA 1.820 57.777 56.100 -0.239 0.000 0.955 508 R CB -0.530 29.413 30.300 -0.596 0.000 0.851 508 R HN 0.364 nan 8.270 nan 0.000 0.432 509 Y N 0.949 121.255 120.300 0.010 0.000 2.333 509 Y HA -0.174 4.369 4.550 -0.011 0.000 0.290 509 Y C 2.375 178.314 175.900 0.065 0.000 1.144 509 Y CA 1.680 59.809 58.100 0.047 0.000 1.228 509 Y CB -0.155 38.328 38.460 0.038 0.000 0.985 509 Y HN 0.113 nan 8.280 nan 0.000 0.542 510 K N -0.642 119.877 120.400 0.198 0.000 2.148 510 K HA -0.137 4.178 4.320 -0.009 0.000 0.204 510 K C 1.034 177.613 176.600 -0.036 0.000 1.050 510 K CA 1.303 57.630 56.287 0.066 0.000 0.942 510 K CB -0.279 32.232 32.500 0.018 0.000 0.724 510 K HN 0.240 nan 8.250 nan 0.000 0.446 511 F N 0.185 120.201 119.950 0.110 0.000 2.727 511 F HA 0.082 4.602 4.527 -0.011 0.000 0.302 511 F C 1.438 177.360 175.800 0.203 0.000 1.097 511 F CA -0.308 57.800 58.000 0.181 0.000 1.330 511 F CB 0.194 39.361 39.000 0.280 0.000 1.084 511 F HN -0.013 nan 8.300 nan 0.000 0.578 512 L N 1.596 122.977 121.223 0.263 0.000 2.051 512 L HA -0.156 4.179 4.340 -0.009 0.000 0.214 512 L C -0.699 176.285 176.870 0.189 0.000 1.076 512 L CA 2.357 57.301 54.840 0.174 0.000 0.758 512 L CB -1.536 40.597 42.059 0.123 0.000 0.890 512 L HN -0.066 nan 8.230 nan 0.000 0.433 513 P HA -0.235 nan 4.420 nan 0.000 0.216 513 P C 1.227 178.805 177.300 0.463 0.000 1.150 513 P CA 1.468 64.782 63.100 0.356 0.000 0.843 513 P CB -0.219 31.710 31.700 0.382 0.000 0.787 514 Y N 0.134 120.612 120.300 0.296 0.000 2.184 514 Y HA -0.119 4.425 4.550 -0.010 0.000 0.290 514 Y C 2.055 178.115 175.900 0.267 0.000 1.129 514 Y CA 1.150 59.436 58.100 0.310 0.000 1.144 514 Y CB -1.077 37.547 38.460 0.273 0.000 0.995 514 Y HN -0.179 nan 8.280 nan 0.000 0.513 515 I N -0.980 119.665 120.570 0.124 0.000 2.163 515 I HA -0.355 3.809 4.170 -0.009 0.000 0.243 515 I C 2.093 178.111 176.117 -0.165 0.000 1.085 515 I CA 1.773 63.039 61.300 -0.057 0.000 1.347 515 I CB -0.610 37.440 38.000 0.084 0.000 1.044 515 I HN 0.211 nan 8.210 nan 0.000 0.408 516 Y N 1.434 121.552 120.300 -0.303 0.000 2.293 516 Y HA -0.208 4.336 4.550 -0.010 0.000 0.291 516 Y C 2.761 178.540 175.900 -0.200 0.000 1.137 516 Y CA 1.218 59.031 58.100 -0.477 0.000 1.202 516 Y CB -0.322 37.823 38.460 -0.526 0.000 0.990 516 Y HN 0.075 nan 8.280 nan 0.000 0.537 517 S N 0.085 115.810 115.700 0.042 0.000 2.383 517 S HA -0.156 4.308 4.470 -0.009 0.000 0.227 517 S C 2.070 176.611 174.600 -0.099 0.000 1.026 517 S CA 1.428 59.663 58.200 0.057 0.000 0.981 517 S CB -0.471 62.948 63.200 0.365 0.000 0.818 517 S HN 0.435 nan 8.310 nan 0.000 0.472 518 L N 0.991 122.143 121.223 -0.119 0.000 2.141 518 L HA -0.055 4.279 4.340 -0.009 0.000 0.209 518 L C 2.713 179.510 176.870 -0.121 0.000 1.094 518 L CA 0.941 55.697 54.840 -0.141 0.000 0.763 518 L CB -0.626 41.290 42.059 -0.238 0.000 0.908 518 L HN 0.314 nan 8.230 nan 0.000 0.437 519 A N 0.176 122.885 122.820 -0.185 0.000 1.898 519 A HA -0.205 4.110 4.320 -0.009 0.000 0.216 519 A C 2.203 179.706 177.584 -0.135 0.000 1.181 519 A CA 1.489 53.480 52.037 -0.077 0.000 0.620 519 A CB -0.579 18.161 19.000 -0.433 0.000 0.819 519 A HN 0.321 nan 8.150 nan 0.000 0.442 520 L N 0.197 121.226 121.223 -0.324 0.000 2.046 520 L HA -0.147 4.187 4.340 -0.009 0.000 0.208 520 L C 2.233 178.994 176.870 -0.182 0.000 1.077 520 L CA 2.712 57.393 54.840 -0.266 0.000 0.747 520 L CB -0.653 41.240 42.059 -0.277 0.000 0.896 520 L HN 0.595 nan 8.230 nan 0.000 0.432 521 E N -0.579 119.513 120.200 -0.179 0.000 2.110 521 E HA -0.250 4.095 4.350 -0.009 0.000 0.193 521 E C 2.053 178.529 176.600 -0.206 0.000 0.988 521 E CA 1.151 57.441 56.400 -0.184 0.000 0.804 521 E CB -0.147 29.477 29.700 -0.126 0.000 0.745 521 E HN 0.646 nan 8.360 nan 0.000 0.458 522 A N 0.946 123.679 122.820 -0.145 0.000 1.877 522 A HA -0.196 4.118 4.320 -0.009 0.000 0.216 522 A C 2.335 179.800 177.584 -0.199 0.000 1.186 522 A CA 2.117 54.045 52.037 -0.181 0.000 0.620 522 A CB -0.774 18.107 19.000 -0.198 0.000 0.822 522 A HN 0.446 nan 8.150 nan 0.000 0.443 523 S N -0.414 115.214 115.700 -0.120 0.000 2.474 523 S HA -0.095 4.369 4.470 -0.009 0.000 0.235 523 S C 1.466 175.989 174.600 -0.128 0.000 0.997 523 S CA 1.307 59.446 58.200 -0.102 0.000 0.949 523 S CB -0.255 62.925 63.200 -0.032 0.000 0.766 523 S HN 0.698 nan 8.310 nan 0.000 0.517 524 E N 0.920 121.023 120.200 -0.161 0.000 2.201 524 E HA 0.150 4.494 4.350 -0.009 0.000 0.193 524 E C 1.565 178.034 176.600 -0.217 0.000 0.957 524 E CA 0.464 56.765 56.400 -0.165 0.000 0.858 524 E CB 0.140 29.745 29.700 -0.158 0.000 0.816 524 E HN 0.519 nan 8.360 nan 0.000 0.475 525 K N -0.762 119.446 120.400 -0.320 0.000 2.412 525 K HA 0.191 4.505 4.320 -0.009 0.000 0.202 525 K C 0.645 177.022 176.600 -0.372 0.000 1.102 525 K CA 0.468 56.500 56.287 -0.425 0.000 1.027 525 K CB 1.772 33.810 32.500 -0.769 0.000 0.931 525 K HN 0.170 nan 8.250 nan 0.000 0.557 526 G N 2.381 111.004 108.800 -0.294 0.000 2.137 526 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.237 526 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.237 526 G C -0.552 174.323 174.900 -0.042 0.000 1.002 526 G CA -0.049 44.941 45.100 -0.182 0.000 0.702 526 G HN 0.510 nan 8.290 nan 0.000 0.515 527 H N 1.374 120.372 119.070 -0.119 0.000 2.548 527 H HA 0.367 4.917 4.556 -0.010 0.000 0.331 527 H C -1.869 173.342 175.328 -0.196 0.000 1.093 527 H CA -1.631 54.358 56.048 -0.099 0.000 1.367 527 H CB 1.400 31.124 29.762 -0.063 0.000 1.455 527 H HN 0.194 nan 8.280 nan 0.000 0.519 528 P HA -0.065 nan 4.420 nan 0.000 0.274 528 P C 0.711 177.882 177.300 -0.214 0.000 1.231 528 P CA -0.137 62.817 63.100 -0.244 0.000 0.790 528 P CB 1.707 33.213 31.700 -0.322 0.000 0.951 529 V N 3.052 122.882 119.914 -0.141 0.000 2.255 529 V HA -0.131 3.983 4.120 -0.009 0.000 0.243 529 V C 1.489 177.546 176.094 -0.062 0.000 1.038 529 V CA 1.574 63.837 62.300 -0.062 0.000 1.008 529 V CB -0.852 31.020 31.823 0.082 0.000 0.645 529 V HN 0.513 nan 8.190 nan 0.000 0.449 530 I N -0.442 120.107 120.570 -0.036 0.000 2.428 530 I HA 0.663 4.828 4.170 -0.009 0.000 0.296 530 I C -0.318 175.722 176.117 -0.129 0.000 0.985 530 I CA -0.594 60.721 61.300 0.026 0.000 1.260 530 I CB 1.193 39.232 38.000 0.065 0.000 1.389 530 I HN 0.077 nan 8.210 nan 0.000 0.484 531 R N 4.600 125.045 120.500 -0.093 0.000 2.698 531 R HA 0.560 4.895 4.340 -0.009 0.000 0.275 531 R C -2.848 173.353 176.300 -0.165 0.000 1.001 531 R CA -1.820 54.125 56.100 -0.258 0.000 0.896 531 R CB 1.883 31.891 30.300 -0.486 0.000 1.218 531 R HN 0.463 nan 8.270 nan 0.000 0.462 532 P HA 0.082 nan 4.420 nan 0.000 0.274 532 P C 0.578 177.635 177.300 -0.404 0.000 1.237 532 P CA -0.349 62.483 63.100 -0.446 0.000 0.793 532 P CB 0.883 32.008 31.700 -0.959 0.000 0.977 533 L N 1.049 122.133 121.223 -0.233 0.000 2.079 533 L HA -0.193 4.141 4.340 -0.009 0.000 0.210 533 L C 2.448 179.339 176.870 0.035 0.000 1.081 533 L CA 1.821 56.660 54.840 -0.003 0.000 0.752 533 L CB -1.141 40.925 42.059 0.013 0.000 0.896 533 L HN 0.376 nan 8.230 nan 0.000 0.433 534 F N -1.679 118.214 119.950 -0.094 0.000 2.494 534 F HA -0.196 4.325 4.527 -0.009 0.000 0.298 534 F C 2.329 178.063 175.800 -0.110 0.000 1.106 534 F CA 0.389 58.202 58.000 -0.311 0.000 1.452 534 F CB -1.435 36.871 39.000 -1.157 0.000 1.085 534 F HN -0.044 nan 8.300 nan 0.000 0.569 535 Y N 1.521 121.675 120.300 -0.243 0.000 2.242 535 Y HA -0.066 4.479 4.550 -0.009 0.000 0.291 535 Y C 2.081 177.900 175.900 -0.134 0.000 1.137 535 Y CA 1.901 59.934 58.100 -0.112 0.000 1.181 535 Y CB -0.178 38.150 38.460 -0.220 0.000 0.989 535 Y HN 0.026 nan 8.280 nan 0.000 0.527 536 E N -0.824 119.369 120.200 -0.012 0.000 2.340 536 E HA 0.040 4.384 4.350 -0.009 0.000 0.194 536 E C -0.347 175.768 176.600 -0.808 0.000 0.996 536 E CA 0.465 56.611 56.400 -0.423 0.000 0.869 536 E CB 0.131 29.511 29.700 -0.532 0.000 0.835 536 E HN 0.450 nan 8.360 nan 0.000 0.493 537 F N 1.296 121.280 119.950 0.056 0.000 2.577 537 F HA 0.184 4.705 4.527 -0.009 0.000 0.342 537 F C 1.465 177.312 175.800 0.079 0.000 1.479 537 F CA -0.509 57.533 58.000 0.070 0.000 1.110 537 F CB 0.297 39.351 39.000 0.090 0.000 1.306 537 F HN -0.138 nan 8.300 nan 0.000 0.554 538 Q N 0.043 119.937 119.800 0.156 0.000 2.364 538 Q HA -0.169 4.165 4.340 -0.009 0.000 0.209 538 Q C 0.885 177.081 176.000 0.327 0.000 0.977 538 Q CA 1.870 57.818 55.803 0.241 0.000 0.885 538 Q CB -0.262 28.581 28.738 0.174 0.000 0.941 538 Q HN 0.559 nan 8.270 nan 0.000 0.464 539 D N 0.223 120.771 120.400 0.245 0.000 2.349 539 D HA -0.068 4.566 4.640 -0.009 0.000 0.215 539 D C -0.369 176.076 176.300 0.242 0.000 1.016 539 D CA 0.094 54.225 54.000 0.219 0.000 0.870 539 D CB -0.001 40.891 40.800 0.154 0.000 0.917 539 D HN 0.190 nan 8.370 nan 0.000 0.524 540 D N 0.844 121.415 120.400 0.285 0.000 2.427 540 D HA 0.082 4.716 4.640 -0.009 0.000 0.226 540 D C 0.554 177.039 176.300 0.309 0.000 1.076 540 D CA -0.536 53.610 54.000 0.244 0.000 0.849 540 D CB 1.263 42.178 40.800 0.192 0.000 1.052 540 D HN -0.298 nan 8.370 nan 0.000 0.515 541 D N 2.755 123.329 120.400 0.290 0.000 2.190 541 D HA -0.181 4.453 4.640 -0.009 0.000 0.200 541 D C 0.926 177.397 176.300 0.284 0.000 0.992 541 D CA 1.015 55.206 54.000 0.317 0.000 0.854 541 D CB 0.186 41.141 40.800 0.258 0.000 0.936 541 D HN 0.540 nan 8.370 nan 0.000 0.462 542 D N -0.030 120.484 120.400 0.191 0.000 2.133 542 D HA -0.147 4.487 4.640 -0.009 0.000 0.195 542 D C 2.044 178.422 176.300 0.129 0.000 0.997 542 D CA 0.730 54.810 54.000 0.133 0.000 0.840 542 D CB -0.160 40.685 40.800 0.075 0.000 0.947 542 D HN 0.136 nan 8.370 nan 0.000 0.452 543 M N -0.523 119.149 119.600 0.121 0.000 2.267 543 M HA -0.158 4.317 4.480 -0.009 0.000 0.263 543 M C 1.335 177.666 176.300 0.052 0.000 1.063 543 M CA 1.109 56.438 55.300 0.048 0.000 1.090 543 M CB -1.023 31.590 32.600 0.022 0.000 1.392 543 M HN 0.210 nan 8.290 nan 0.000 0.422 544 Y N -0.287 120.048 120.300 0.058 0.000 2.578 544 Y HA 0.010 4.555 4.550 -0.009 0.000 0.297 544 Y C 1.909 177.861 175.900 0.087 0.000 1.176 544 Y CA 0.467 58.577 58.100 0.015 0.000 1.315 544 Y CB -0.199 38.004 38.460 -0.429 0.000 1.031 544 Y HN 0.115 nan 8.280 nan 0.000 0.524 545 R N -0.558 120.063 120.500 0.202 0.000 2.437 545 R HA 0.207 4.542 4.340 -0.009 0.000 0.257 545 R C -0.476 175.899 176.300 0.124 0.000 0.927 545 R CA -0.080 56.115 56.100 0.159 0.000 1.078 545 R CB 0.204 30.583 30.300 0.132 0.000 1.161 545 R HN 0.141 nan 8.270 nan 0.000 0.529 546 I N 1.820 122.455 120.570 0.109 0.000 2.312 546 I HA 0.080 4.244 4.170 -0.009 0.000 0.291 546 I C 0.975 177.143 176.117 0.085 0.000 1.031 546 I CA 0.308 61.647 61.300 0.066 0.000 1.293 546 I CB 0.940 38.948 38.000 0.013 0.000 1.403 546 I HN 0.043 nan 8.210 nan 0.000 0.484 547 E N 2.924 123.177 120.200 0.088 0.000 2.641 547 E HA 0.036 4.381 4.350 -0.009 0.000 0.224 547 E C -0.197 176.464 176.600 0.101 0.000 0.951 547 E CA 0.201 56.663 56.400 0.103 0.000 1.102 547 E CB 0.605 30.379 29.700 0.124 0.000 1.091 547 E HN 0.666 nan 8.360 nan 0.000 0.507 548 D N 0.920 121.369 120.400 0.081 0.000 2.427 548 D HA 0.135 4.770 4.640 -0.009 0.000 0.224 548 D C -0.017 176.325 176.300 0.070 0.000 1.157 548 D CA -0.024 54.026 54.000 0.083 0.000 0.828 548 D CB 0.091 40.923 40.800 0.055 0.000 0.974 548 D HN -0.014 nan 8.370 nan 0.000 0.498 549 E N -0.253 120.002 120.200 0.092 0.000 2.356 549 E HA 0.496 4.840 4.350 -0.009 0.000 0.275 549 E C -1.360 175.358 176.600 0.196 0.000 0.904 549 E CA -1.219 55.213 56.400 0.054 0.000 0.757 549 E CB 2.194 31.864 29.700 -0.051 0.000 1.232 549 E HN 0.232 nan 8.360 nan 0.000 0.442 550 Y N -1.036 119.286 120.300 0.037 0.000 2.581 550 Y HA 0.565 5.109 4.550 -0.009 0.000 0.337 550 Y C -1.312 174.638 175.900 0.083 0.000 1.108 550 Y CA -1.462 56.670 58.100 0.054 0.000 1.033 550 Y CB 0.951 39.477 38.460 0.111 0.000 1.318 550 Y HN 0.246 nan 8.280 nan 0.000 0.459 551 M N 3.047 122.762 119.600 0.192 0.000 2.277 551 M HA 0.462 4.937 4.480 -0.009 0.000 0.350 551 M C -1.046 175.334 176.300 0.133 0.000 1.180 551 M CA -0.915 54.455 55.300 0.117 0.000 1.103 551 M CB 1.672 34.346 32.600 0.124 0.000 1.577 551 M HN 0.615 nan 8.290 nan 0.000 0.459 552 V N 2.799 122.734 119.914 0.035 0.000 2.293 552 V HA 0.632 4.746 4.120 -0.009 0.000 0.275 552 V C 0.792 176.901 176.094 0.025 0.000 1.021 552 V CA 0.145 62.455 62.300 0.016 0.000 0.815 552 V CB 0.270 31.965 31.823 -0.214 0.000 1.025 552 V HN 1.157 nan 8.190 nan 0.000 0.448 553 G N 4.737 113.500 108.800 -0.062 0.000 2.562 553 G HA2 -0.283 3.671 3.960 -0.009 0.000 0.250 553 G HA3 -0.283 3.671 3.960 -0.009 0.000 0.250 553 G C 0.631 175.484 174.900 -0.079 0.000 1.269 553 G CA 0.576 45.610 45.100 -0.110 0.000 0.919 553 G HN 0.723 nan 8.290 nan 0.000 0.574 554 K N -0.853 119.422 120.400 -0.208 0.000 2.352 554 K HA 0.271 4.586 4.320 -0.009 0.000 0.194 554 K C 1.852 178.451 176.600 -0.003 0.000 1.038 554 K CA 1.061 57.233 56.287 -0.190 0.000 1.023 554 K CB -0.007 32.283 32.500 -0.349 0.000 0.840 554 K HN 0.517 nan 8.250 nan 0.000 0.519 555 Y N -0.051 120.337 120.300 0.146 0.000 2.524 555 Y HA 0.247 4.791 4.550 -0.010 0.000 0.270 555 Y C 0.543 176.520 175.900 0.128 0.000 1.094 555 Y CA -0.431 57.713 58.100 0.073 0.000 1.276 555 Y CB 0.267 38.686 38.460 -0.067 0.000 1.130 555 Y HN -0.104 nan 8.280 nan 0.000 0.536 556 L N 1.362 122.738 121.223 0.256 0.000 2.296 556 L HA 0.500 4.834 4.340 -0.009 0.000 0.286 556 L C -1.144 175.796 176.870 0.117 0.000 1.023 556 L CA -0.831 54.082 54.840 0.122 0.000 0.812 556 L CB 1.572 43.534 42.059 -0.162 0.000 1.223 556 L HN 0.052 nan 8.230 nan 0.000 0.421 557 L N 5.265 126.616 121.223 0.213 0.000 2.287 557 L HA 0.431 4.766 4.340 -0.009 0.000 0.287 557 L C -1.613 175.313 176.870 0.094 0.000 1.022 557 L CA -0.557 54.338 54.840 0.091 0.000 0.814 557 L CB 1.177 43.179 42.059 -0.096 0.000 1.217 557 L HN 0.610 nan 8.230 nan 0.000 0.420 558 Y N 4.841 125.000 120.300 -0.234 0.000 2.331 558 Y HA 0.644 5.187 4.550 -0.012 0.000 0.334 558 Y C -0.557 175.248 175.900 -0.160 0.000 0.960 558 Y CA -1.425 56.544 58.100 -0.219 0.000 1.130 558 Y CB 1.852 40.056 38.460 -0.426 0.000 1.164 558 Y HN 0.563 nan 8.280 nan 0.000 0.458 559 A N 9.500 132.175 122.820 -0.241 0.000 2.786 559 A HA 0.485 4.799 4.320 -0.009 0.000 0.346 559 A C -2.823 174.505 177.584 -0.427 0.000 1.265 559 A CA -1.720 50.157 52.037 -0.268 0.000 0.858 559 A CB -0.438 18.528 19.000 -0.056 0.000 1.118 559 A HN 0.523 nan 8.150 nan 0.000 0.482 560 P HA 0.088 nan 4.420 nan 0.000 0.269 560 P C -0.282 176.947 177.300 -0.119 0.000 1.209 560 P CA 0.311 63.110 63.100 -0.501 0.000 0.776 560 P CB 0.847 32.319 31.700 -0.380 0.000 0.876 561 I N 3.193 123.762 120.570 -0.002 0.000 2.363 561 I HA -0.003 4.161 4.170 -0.009 0.000 0.292 561 I C 1.329 177.514 176.117 0.113 0.000 1.075 561 I CA -0.228 61.110 61.300 0.063 0.000 1.333 561 I CB 0.794 38.849 38.000 0.093 0.000 1.415 561 I HN 0.175 nan 8.210 nan 0.000 0.502 562 V N 2.761 122.745 119.914 0.116 0.000 3.039 562 V HA 0.360 4.475 4.120 -0.009 0.000 0.369 562 V C 0.343 176.610 176.094 0.288 0.000 1.344 562 V CA -0.118 62.290 62.300 0.181 0.000 1.270 562 V CB -0.930 30.959 31.823 0.110 0.000 1.284 562 V HN 0.706 nan 8.190 nan 0.000 0.518 563 S N -0.658 115.184 115.700 0.237 0.000 2.705 563 S HA 0.609 5.074 4.470 -0.009 0.000 0.280 563 S C 0.122 174.574 174.600 -0.247 0.000 1.174 563 S CA -0.662 57.519 58.200 -0.031 0.000 0.823 563 S CB 1.920 65.078 63.200 -0.070 0.000 1.162 563 S HN 0.079 nan 8.310 nan 0.000 0.487 564 K N 0.753 120.791 120.400 -0.603 0.000 2.366 564 K HA 0.215 4.530 4.320 -0.009 0.000 0.198 564 K C 0.399 176.905 176.600 -0.156 0.000 1.044 564 K CA 0.471 56.478 56.287 -0.466 0.000 0.973 564 K CB -0.249 31.923 32.500 -0.546 0.000 0.767 564 K HN 0.576 nan 8.250 nan 0.000 0.475 565 E N 0.715 120.843 120.200 -0.119 0.000 2.468 565 E HA -0.142 4.202 4.350 -0.009 0.000 0.263 565 E C 0.660 177.255 176.600 -0.009 0.000 1.192 565 E CA 0.294 56.663 56.400 -0.052 0.000 1.016 565 E CB 0.374 30.052 29.700 -0.037 0.000 0.980 565 E HN 0.206 nan 8.360 nan 0.000 0.467 566 E N -0.039 120.159 120.200 -0.003 0.000 2.364 566 E HA -0.022 4.322 4.350 -0.009 0.000 0.196 566 E C -0.196 176.408 176.600 0.007 0.000 0.990 566 E CA 0.154 56.556 56.400 0.005 0.000 0.886 566 E CB 0.486 30.184 29.700 -0.002 0.000 0.866 566 E HN 0.410 nan 8.360 nan 0.000 0.493 567 S N -0.561 115.146 115.700 0.012 0.000 2.651 567 S HA 0.670 5.134 4.470 -0.009 0.000 0.279 567 S C -0.691 173.923 174.600 0.025 0.000 1.148 567 S CA -1.122 57.093 58.200 0.025 0.000 0.837 567 S CB 2.109 65.324 63.200 0.026 0.000 1.138 567 S HN 0.253 nan 8.310 nan 0.000 0.478 568 R N 0.017 120.539 120.500 0.036 0.000 2.781 568 R HA 0.698 5.032 4.340 -0.009 0.000 0.269 568 R C -1.535 174.779 176.300 0.023 0.000 1.025 568 R CA -1.196 54.919 56.100 0.025 0.000 0.914 568 R CB 0.685 31.000 30.300 0.025 0.000 1.236 568 R HN 0.560 nan 8.270 nan 0.000 0.465 569 L N 1.600 122.827 121.223 0.007 0.000 2.305 569 L HA 0.447 4.782 4.340 -0.009 0.000 0.281 569 L C -0.626 176.226 176.870 -0.031 0.000 1.085 569 L CA -1.002 53.833 54.840 -0.008 0.000 0.813 569 L CB 1.673 43.725 42.059 -0.012 0.000 1.157 569 L HN 0.341 nan 8.230 nan 0.000 0.436 570 V N 2.178 122.054 119.914 -0.063 0.000 2.448 570 V HA 0.289 4.404 4.120 -0.009 0.000 0.295 570 V C 0.127 176.095 176.094 -0.208 0.000 1.025 570 V CA -0.540 61.676 62.300 -0.139 0.000 0.859 570 V CB 1.895 33.608 31.823 -0.184 0.000 0.988 570 V HN 0.721 nan 8.190 nan 0.000 0.431 571 T N 6.939 121.363 114.554 -0.217 0.000 2.743 571 T HA 0.570 4.914 4.350 -0.009 0.000 0.293 571 T C -0.216 174.251 174.700 -0.388 0.000 0.945 571 T CA -0.113 61.848 62.100 -0.232 0.000 1.030 571 T CB 0.315 69.090 68.868 -0.155 0.000 0.912 571 T HN 0.337 nan 8.240 nan 0.000 0.483 572 L N 6.231 127.193 121.223 -0.435 0.000 2.295 572 L HA 0.443 4.778 4.340 -0.009 0.000 0.285 572 L C -2.172 174.412 176.870 -0.476 0.000 1.035 572 L CA -2.385 52.044 54.840 -0.685 0.000 0.806 572 L CB 1.527 43.160 42.059 -0.711 0.000 1.214 572 L HN 0.336 nan 8.230 nan 0.000 0.426 573 P HA 0.128 nan 4.420 nan 0.000 0.277 573 P C -0.652 176.582 177.300 -0.111 0.000 1.276 573 P CA -0.750 62.041 63.100 -0.517 0.000 0.788 573 P CB 0.459 31.330 31.700 -1.382 0.000 1.114 574 R N 0.245 120.672 120.500 -0.121 0.000 2.697 574 R HA 0.365 4.700 4.340 -0.009 0.000 0.265 574 R C 0.380 176.800 176.300 0.200 0.000 1.009 574 R CA 1.474 57.628 56.100 0.090 0.000 1.099 574 R CB -0.874 29.503 30.300 0.129 0.000 0.965 574 R HN 0.800 nan 8.270 nan 0.000 0.428 575 G N 1.971 110.859 108.800 0.145 0.000 2.525 575 G HA2 -0.163 3.792 3.960 -0.009 0.000 0.685 575 G HA3 -0.163 3.792 3.960 -0.009 0.000 0.685 575 G C -1.423 173.454 174.900 -0.039 0.000 1.290 575 G CA -0.756 44.353 45.100 0.014 0.000 0.915 575 G HN 0.563 nan 8.290 nan 0.000 0.548 576 K N -0.726 119.550 120.400 -0.206 0.000 2.130 576 K HA 0.590 4.904 4.320 -0.009 0.000 0.268 576 K C -1.070 175.361 176.600 -0.283 0.000 0.983 576 K CA -0.348 55.899 56.287 -0.067 0.000 0.893 576 K CB 1.416 33.950 32.500 0.057 0.000 1.066 576 K HN 0.450 nan 8.250 nan 0.000 0.450 577 W N 1.815 123.267 121.300 0.253 0.000 2.785 577 W HA 0.253 4.908 4.660 -0.009 0.000 0.333 577 W C -0.880 175.879 176.519 0.401 0.000 1.062 577 W CA -0.725 56.821 57.345 0.335 0.000 1.233 577 W CB 0.856 30.431 29.460 0.193 0.000 1.413 577 W HN 0.431 nan 8.180 nan 0.000 0.489 578 Y N 4.023 124.612 120.300 0.481 0.000 2.335 578 Y HA 0.340 4.886 4.550 -0.006 0.000 0.339 578 Y C 0.172 176.196 175.900 0.206 0.000 0.987 578 Y CA -0.995 57.203 58.100 0.163 0.000 1.140 578 Y CB 0.703 39.025 38.460 -0.230 0.000 1.173 578 Y HN 0.395 nan 8.280 nan 0.000 0.486 579 N N 5.709 124.201 118.700 -0.347 0.000 2.416 579 N HA -0.115 4.620 4.740 -0.009 0.000 0.265 579 N C 0.706 175.731 175.510 -0.808 0.000 1.195 579 N CA 0.400 53.167 53.050 -0.472 0.000 0.943 579 N CB 0.125 38.455 38.487 -0.263 0.000 1.115 579 N HN 0.962 nan 8.380 nan 0.000 0.481 580 Y N 4.753 124.631 120.300 -0.703 0.000 2.151 580 Y HA -0.206 4.337 4.550 -0.011 0.000 0.284 580 Y C 1.071 176.575 175.900 -0.660 0.000 1.166 580 Y CA 1.911 59.608 58.100 -0.670 0.000 1.163 580 Y CB -0.173 37.856 38.460 -0.719 0.000 0.974 580 Y HN 0.652 nan 8.280 nan 0.000 0.511 581 W N 0.069 121.135 121.300 -0.390 0.000 2.523 581 W HA -0.045 4.621 4.660 0.009 0.000 0.278 581 W C 1.687 178.009 176.519 -0.329 0.000 1.236 581 W CA 0.802 57.907 57.345 -0.400 0.000 1.306 581 W CB -0.232 29.017 29.460 -0.352 0.000 1.101 581 W HN 0.270 nan 8.180 nan 0.000 0.577 582 N N -0.814 117.819 118.700 -0.111 0.000 2.170 582 N HA 0.191 4.926 4.740 -0.009 0.000 0.222 582 N C 1.264 176.656 175.510 -0.196 0.000 1.218 582 N CA 0.468 53.455 53.050 -0.106 0.000 0.889 582 N CB 0.186 38.654 38.487 -0.031 0.000 1.083 582 N HN 0.071 nan 8.380 nan 0.000 0.520 583 G N 0.346 108.890 108.800 -0.426 0.000 2.196 583 G HA2 -0.399 3.555 3.960 -0.009 0.000 0.268 583 G HA3 -0.399 3.555 3.960 -0.009 0.000 0.268 583 G C -0.154 174.614 174.900 -0.222 0.000 0.975 583 G CA 0.632 45.471 45.100 -0.437 0.000 0.648 583 G HN 0.730 nan 8.290 nan 0.000 0.538 584 E N 0.086 120.187 120.200 -0.166 0.000 2.384 584 E HA 0.434 4.779 4.350 -0.009 0.000 0.266 584 E C 0.230 176.856 176.600 0.043 0.000 1.012 584 E CA -0.465 55.922 56.400 -0.022 0.000 0.901 584 E CB 0.206 29.916 29.700 0.017 0.000 0.967 584 E HN 0.368 nan 8.360 nan 0.000 0.435 585 I N 5.552 126.192 120.570 0.115 0.000 2.362 585 I HA 0.255 4.420 4.170 -0.009 0.000 0.289 585 I C -0.707 175.525 176.117 0.192 0.000 0.994 585 I CA -0.777 60.639 61.300 0.194 0.000 1.158 585 I CB 1.069 39.182 38.000 0.189 0.000 1.315 585 I HN 0.458 nan 8.210 nan 0.000 0.451 586 I N 6.176 126.896 120.570 0.249 0.000 2.493 586 I HA 0.303 4.467 4.170 -0.009 0.000 0.298 586 I C 0.220 176.482 176.117 0.241 0.000 0.998 586 I CA -0.544 60.881 61.300 0.208 0.000 1.137 586 I CB 1.025 39.130 38.000 0.174 0.000 1.310 586 I HN 0.421 nan 8.210 nan 0.000 0.445 587 N N 3.170 121.972 118.700 0.171 0.000 2.497 587 N HA 0.237 4.972 4.740 -0.009 0.000 0.271 587 N C 0.244 175.863 175.510 0.181 0.000 1.142 587 N CA 0.028 53.176 53.050 0.163 0.000 0.965 587 N CB 1.466 40.016 38.487 0.106 0.000 1.077 587 N HN 0.887 nan 8.380 nan 0.000 0.462 588 G N 0.843 109.790 108.800 0.244 0.000 2.732 588 G HA2 0.056 4.011 3.960 -0.009 0.000 0.244 588 G HA3 0.056 4.011 3.960 -0.009 0.000 0.244 588 G C 0.252 175.205 174.900 0.089 0.000 1.226 588 G CA 0.166 45.410 45.100 0.238 0.000 0.860 588 G HN 0.641 nan 8.290 nan 0.000 0.583 589 K N -1.454 118.956 120.400 0.017 0.000 3.549 589 K HA -0.152 4.163 4.320 -0.009 0.000 0.275 589 K C 0.004 176.595 176.600 -0.015 0.000 1.060 589 K CA 1.021 57.300 56.287 -0.014 0.000 0.812 589 K CB -1.647 30.866 32.500 0.020 0.000 1.374 589 K HN 1.632 nan 8.250 nan 0.000 0.455 590 S N -1.935 113.733 115.700 -0.052 0.000 2.611 590 S HA 0.773 5.238 4.470 -0.009 0.000 0.268 590 S C -0.802 173.746 174.600 -0.087 0.000 1.156 590 S CA -0.579 57.594 58.200 -0.045 0.000 0.817 590 S CB 2.202 65.393 63.200 -0.016 0.000 1.122 590 S HN 0.270 nan 8.310 nan 0.000 0.466 591 V N 1.588 121.464 119.914 -0.063 0.000 2.487 591 V HA 0.816 4.930 4.120 -0.009 0.000 0.298 591 V C -0.152 175.909 176.094 -0.055 0.000 1.028 591 V CA -0.257 61.998 62.300 -0.075 0.000 0.860 591 V CB 1.161 32.956 31.823 -0.047 0.000 0.991 591 V HN 1.264 nan 8.190 nan 0.000 0.427 592 V N 1.918 121.790 119.914 -0.071 0.000 3.102 592 V HA 0.697 4.811 4.120 -0.009 0.000 0.312 592 V C -0.549 175.546 176.094 0.002 0.000 1.135 592 V CA -1.179 61.107 62.300 -0.024 0.000 1.022 592 V CB 2.049 33.864 31.823 -0.013 0.000 1.056 592 V HN 0.784 nan 8.190 nan 0.000 0.436 593 K N 1.805 122.227 120.400 0.037 0.000 2.172 593 K HA 0.535 4.850 4.320 -0.009 0.000 0.276 593 K C 0.423 177.085 176.600 0.103 0.000 1.013 593 K CA -0.040 56.279 56.287 0.052 0.000 0.913 593 K CB 1.284 33.809 32.500 0.042 0.000 1.055 593 K HN 1.150 nan 8.250 nan 0.000 0.461 594 S N 1.693 117.463 115.700 0.117 0.000 2.584 594 S HA 0.007 4.472 4.470 -0.009 0.000 0.270 594 S C 0.958 175.638 174.600 0.133 0.000 1.346 594 S CA 0.080 58.386 58.200 0.177 0.000 1.018 594 S CB 1.209 64.506 63.200 0.162 0.000 0.899 594 S HN 0.795 nan 8.310 nan 0.000 0.542 595 T N -2.611 112.034 114.554 0.151 0.000 2.959 595 T HA 0.241 4.585 4.350 -0.009 0.000 0.254 595 T C 0.237 175.000 174.700 0.106 0.000 1.003 595 T CA 0.139 62.305 62.100 0.110 0.000 0.950 595 T CB -0.411 68.522 68.868 0.108 0.000 1.090 595 T HN 0.848 nan 8.240 nan 0.000 0.503 596 H N 0.059 119.130 119.070 0.003 0.000 2.812 596 H HA 0.542 5.098 4.556 0.001 0.000 0.355 596 H C 0.838 176.130 175.328 -0.060 0.000 1.207 596 H CA -0.599 55.375 56.048 -0.123 0.000 1.217 596 H CB 1.871 31.428 29.762 -0.342 0.000 1.874 596 H HN -0.057 nan 8.280 nan 0.000 0.581 597 E N 0.848 120.690 120.200 -0.598 0.000 2.204 597 E HA 0.006 4.350 4.350 -0.009 0.000 0.194 597 E C -0.118 176.532 176.600 0.083 0.000 0.989 597 E CA 0.708 56.965 56.400 -0.238 0.000 0.824 597 E CB 0.283 29.781 29.700 -0.336 0.000 0.756 597 E HN 0.333 nan 8.360 nan 0.000 0.477 598 L N 1.913 123.348 121.223 0.354 0.000 2.387 598 L HA 0.319 4.653 4.340 -0.009 0.000 0.259 598 L C -2.516 174.780 176.870 0.711 0.000 1.050 598 L CA -2.096 53.100 54.840 0.594 0.000 0.922 598 L CB 1.103 43.533 42.059 0.619 0.000 1.280 598 L HN -0.308 nan 8.230 nan 0.000 0.449 599 P HA 0.136 nan 4.420 nan 0.000 0.263 599 P C -0.507 177.031 177.300 0.398 0.000 1.345 599 P CA 0.659 63.996 63.100 0.395 0.000 1.119 599 P CB 0.053 31.956 31.700 0.338 0.000 1.363 600 I N 4.277 124.928 120.570 0.136 0.000 2.433 600 I HA 0.382 4.546 4.170 -0.009 0.000 0.292 600 I C -0.378 175.558 176.117 -0.302 0.000 1.001 600 I CA -0.864 60.440 61.300 0.008 0.000 1.119 600 I CB 1.366 39.271 38.000 -0.158 0.000 1.289 600 I HN 0.192 nan 8.210 nan 0.000 0.438 601 Y N 5.641 126.012 120.300 0.117 0.000 2.442 601 Y HA 0.562 5.106 4.550 -0.010 0.000 0.344 601 Y C -0.466 175.662 175.900 0.380 0.000 0.976 601 Y CA -0.808 57.435 58.100 0.239 0.000 1.040 601 Y CB 1.712 40.315 38.460 0.238 0.000 1.228 601 Y HN 0.259 nan 8.280 nan 0.000 0.451 602 L N 3.628 125.201 121.223 0.583 0.000 2.295 602 L HA 0.559 4.893 4.340 -0.009 0.000 0.285 602 L C 0.247 177.426 176.870 0.514 0.000 1.035 602 L CA -0.862 54.279 54.840 0.502 0.000 0.806 602 L CB 1.551 43.875 42.059 0.441 0.000 1.214 602 L HN 0.601 nan 8.230 nan 0.000 0.426 603 R N 2.285 122.894 120.500 0.182 0.000 2.490 603 R HA 0.082 4.416 4.340 -0.009 0.000 0.280 603 R C 0.033 176.041 176.300 -0.487 0.000 1.077 603 R CA -0.435 55.395 56.100 -0.449 0.000 1.065 603 R CB 0.781 30.822 30.300 -0.431 0.000 1.003 603 R HN 0.608 nan 8.270 nan 0.000 0.470 604 E N 2.288 122.013 120.200 -0.793 0.000 2.328 604 E HA 0.103 4.448 4.350 -0.009 0.000 0.265 604 E C -0.421 175.736 176.600 -0.738 0.000 1.057 604 E CA 0.765 56.415 56.400 -1.249 0.000 0.916 604 E CB 0.241 29.452 29.700 -0.815 0.000 0.993 604 E HN 0.861 nan 8.360 nan 0.000 0.446 605 G N 3.239 111.606 108.800 -0.722 0.000 2.797 605 G HA2 -0.139 3.816 3.960 -0.009 0.000 0.192 605 G HA3 -0.139 3.816 3.960 -0.009 0.000 0.192 605 G C -0.582 173.996 174.900 -0.536 0.000 1.101 605 G CA -0.143 44.692 45.100 -0.441 0.000 0.930 605 G HN 0.467 nan 8.290 nan 0.000 0.512 606 S N -0.568 114.717 115.700 -0.692 0.000 2.549 606 S HA 0.840 5.304 4.470 -0.009 0.000 0.280 606 S C -0.289 173.762 174.600 -0.914 0.000 1.109 606 S CA -0.710 56.773 58.200 -1.196 0.000 0.905 606 S CB 2.195 65.052 63.200 -0.572 0.000 1.081 606 S HN 0.580 nan 8.310 nan 0.000 0.477 607 I N 2.611 122.491 120.570 -1.150 0.000 2.500 607 I HA 0.449 4.613 4.170 -0.009 0.000 0.286 607 I C -1.383 174.380 176.117 -0.590 0.000 1.063 607 I CA -0.307 60.652 61.300 -0.568 0.000 1.062 607 I CB 1.383 39.191 38.000 -0.320 0.000 1.223 607 I HN 0.465 nan 8.210 nan 0.000 0.435 608 I N 8.376 128.694 120.570 -0.421 0.000 2.410 608 I HA 0.361 4.525 4.170 -0.009 0.000 0.286 608 I C -2.414 173.593 176.117 -0.183 0.000 1.009 608 I CA -1.860 59.169 61.300 -0.452 0.000 1.111 608 I CB 2.293 39.997 38.000 -0.492 0.000 1.262 608 I HN 0.221 nan 8.210 nan 0.000 0.443 609 P HA 0.359 nan 4.420 nan 0.000 0.286 609 P C -1.026 176.332 177.300 0.097 0.000 1.269 609 P CA -0.181 62.998 63.100 0.131 0.000 0.787 609 P CB 1.525 33.420 31.700 0.325 0.000 0.920 610 L N 1.059 122.300 121.223 0.030 0.000 2.286 610 L HA 0.461 4.795 4.340 -0.009 0.000 0.265 610 L C 0.992 177.891 176.870 0.048 0.000 1.012 610 L CA -1.260 53.554 54.840 -0.045 0.000 0.818 610 L CB 1.308 43.260 42.059 -0.179 0.000 1.337 610 L HN 0.376 nan 8.230 nan 0.000 0.438 611 E N 0.421 120.642 120.200 0.034 0.000 2.442 611 E HA 0.126 4.470 4.350 -0.009 0.000 0.262 611 E C 0.659 177.305 176.600 0.076 0.000 1.004 611 E CA 0.890 57.340 56.400 0.083 0.000 0.928 611 E CB 0.401 30.147 29.700 0.076 0.000 0.937 611 E HN 0.770 nan 8.360 nan 0.000 0.446 612 G N 4.336 113.196 108.800 0.100 0.000 2.198 612 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.257 612 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.257 612 G C 0.148 175.128 174.900 0.134 0.000 1.042 612 G CA 0.192 45.352 45.100 0.099 0.000 0.791 612 G HN 0.876 nan 8.290 nan 0.000 0.502 613 D N -1.053 119.439 120.400 0.153 0.000 3.059 613 D HA -0.151 4.484 4.640 -0.009 0.000 0.220 613 D C 0.679 177.047 176.300 0.112 0.000 1.169 613 D CA 1.844 55.947 54.000 0.171 0.000 0.902 613 D CB -0.676 40.297 40.800 0.289 0.000 1.116 613 D HN 0.851 nan 8.370 nan 0.000 0.417 614 E N -0.508 119.739 120.200 0.077 0.000 2.392 614 E HA 0.436 4.780 4.350 -0.009 0.000 0.256 614 E C -0.139 176.480 176.600 0.031 0.000 1.145 614 E CA -0.260 56.160 56.400 0.033 0.000 0.929 614 E CB 0.943 30.642 29.700 -0.001 0.000 0.998 614 E HN 0.039 nan 8.360 nan 0.000 0.442 615 L N 2.555 123.784 121.223 0.010 0.000 2.526 615 L HA 0.431 4.765 4.340 -0.009 0.000 0.263 615 L C -1.596 175.254 176.870 -0.033 0.000 0.943 615 L CA -0.099 54.745 54.840 0.007 0.000 0.859 615 L CB 1.649 43.745 42.059 0.062 0.000 1.313 615 L HN 0.422 nan 8.230 nan 0.000 0.406 616 I N 4.936 125.462 120.570 -0.074 0.000 2.433 616 I HA 0.646 4.811 4.170 -0.009 0.000 0.292 616 I C -0.945 175.093 176.117 -0.132 0.000 1.001 616 I CA -0.955 60.288 61.300 -0.094 0.000 1.119 616 I CB 1.981 39.933 38.000 -0.080 0.000 1.289 616 I HN 0.210 nan 8.210 nan 0.000 0.438 617 V N 6.413 126.255 119.914 -0.121 0.000 2.638 617 V HA 0.386 4.500 4.120 -0.009 0.000 0.306 617 V C -1.422 174.624 176.094 -0.080 0.000 1.052 617 V CA -0.734 61.486 62.300 -0.132 0.000 0.885 617 V CB 2.161 33.922 31.823 -0.104 0.000 0.999 617 V HN 0.526 nan 8.190 nan 0.000 0.424 618 Y N 3.937 124.068 120.300 -0.281 0.000 2.317 618 Y HA 0.691 5.236 4.550 -0.008 0.000 0.325 618 Y C 0.224 175.982 175.900 -0.237 0.000 1.066 618 Y CA -0.108 57.831 58.100 -0.269 0.000 1.203 618 Y CB 1.233 39.508 38.460 -0.307 0.000 1.127 618 Y HN 1.120 nan 8.280 nan 0.000 0.451 619 G N 4.838 113.574 108.800 -0.108 0.000 2.632 619 G HA2 -0.167 3.787 3.960 -0.009 0.000 0.224 619 G HA3 -0.167 3.787 3.960 -0.009 0.000 0.224 619 G C -1.068 173.710 174.900 -0.204 0.000 1.341 619 G CA -0.307 44.640 45.100 -0.256 0.000 0.880 619 G HN 0.670 nan 8.290 nan 0.000 0.566 620 E N -0.185 119.896 120.200 -0.199 0.000 2.166 620 E HA 0.669 5.014 4.350 -0.009 0.000 0.275 620 E C 0.034 176.550 176.600 -0.140 0.000 0.941 620 E CA -0.003 56.311 56.400 -0.145 0.000 0.784 620 E CB 2.088 31.727 29.700 -0.102 0.000 1.115 620 E HN 0.736 nan 8.360 nan 0.000 0.399 621 T N 0.745 115.232 114.554 -0.111 0.000 2.663 621 T HA 0.314 4.659 4.350 -0.009 0.000 0.305 621 T C -1.783 172.921 174.700 0.006 0.000 1.660 621 T CA -0.585 61.491 62.100 -0.040 0.000 0.976 621 T CB 1.584 70.413 68.868 -0.065 0.000 1.705 621 T HN 0.277 nan 8.240 nan 0.000 0.494 622 S N 0.785 116.550 115.700 0.108 0.000 2.538 622 S HA 0.850 5.315 4.470 -0.009 0.000 0.288 622 S C -1.875 172.898 174.600 0.289 0.000 1.108 622 S CA -0.556 57.715 58.200 0.118 0.000 0.971 622 S CB 0.914 64.151 63.200 0.061 0.000 1.041 622 S HN 0.616 nan 8.310 nan 0.000 0.483 623 F N 3.563 123.552 119.950 0.066 0.000 2.581 623 F HA 0.563 5.085 4.527 -0.008 0.000 0.311 623 F C -0.932 174.903 175.800 0.057 0.000 1.113 623 F CA -0.699 57.377 58.000 0.128 0.000 0.935 623 F CB 1.591 40.733 39.000 0.236 0.000 1.232 623 F HN 0.550 nan 8.300 nan 0.000 0.445 624 K N 6.114 126.056 120.400 -0.763 0.000 2.293 624 K HA 0.425 4.740 4.320 -0.009 0.000 0.267 624 K C -0.281 175.787 176.600 -0.888 0.000 1.010 624 K CA -0.689 55.235 56.287 -0.604 0.000 0.875 624 K CB 0.978 33.258 32.500 -0.368 0.000 1.106 624 K HN 0.873 nan 8.250 nan 0.000 0.450 625 R N 2.592 122.819 120.500 -0.456 0.000 2.615 625 R HA -0.000 4.334 4.340 -0.009 0.000 0.270 625 R C 0.974 177.148 176.300 -0.209 0.000 1.081 625 R CA 0.028 55.990 56.100 -0.229 0.000 1.154 625 R CB 0.317 30.579 30.300 -0.063 0.000 1.063 625 R HN 0.733 nan 8.270 nan 0.000 0.519 626 Y N 0.399 120.668 120.300 -0.051 0.000 2.384 626 Y HA -0.132 4.413 4.550 -0.010 0.000 0.289 626 Y C 1.010 176.897 175.900 -0.022 0.000 1.152 626 Y CA 1.250 59.297 58.100 -0.087 0.000 1.258 626 Y CB -0.286 38.147 38.460 -0.044 0.000 0.979 626 Y HN 0.615 nan 8.280 nan 0.000 0.549 627 D N -0.030 120.070 120.400 -0.501 0.000 2.325 627 D HA -0.038 4.596 4.640 -0.009 0.000 0.234 627 D C 0.847 177.073 176.300 -0.123 0.000 1.122 627 D CA 0.619 54.468 54.000 -0.251 0.000 0.850 627 D CB -0.822 39.757 40.800 -0.368 0.000 0.921 627 D HN 0.657 nan 8.370 nan 0.000 0.513 628 N N -0.071 118.558 118.700 -0.119 0.000 2.967 628 N HA -0.237 4.498 4.740 -0.009 0.000 0.212 628 N C -0.295 175.166 175.510 -0.081 0.000 0.884 628 N CA 0.946 53.944 53.050 -0.088 0.000 1.030 628 N CB -1.637 36.823 38.487 -0.045 0.000 1.018 628 N HN 0.328 nan 8.380 nan 0.000 0.596 629 A N 1.516 124.289 122.820 -0.080 0.000 2.491 629 A HA 0.372 4.687 4.320 -0.009 0.000 0.261 629 A C 0.147 177.706 177.584 -0.041 0.000 1.101 629 A CA 0.259 52.282 52.037 -0.024 0.000 0.772 629 A CB 0.054 19.068 19.000 0.023 0.000 1.043 629 A HN 0.421 nan 8.150 nan 0.000 0.501 630 E N 1.769 121.950 120.200 -0.032 0.000 2.216 630 E HA 0.528 4.872 4.350 -0.009 0.000 0.279 630 E C -0.865 175.691 176.600 -0.075 0.000 0.997 630 E CA -0.127 56.237 56.400 -0.060 0.000 0.817 630 E CB 1.519 31.186 29.700 -0.056 0.000 1.096 630 E HN 0.635 nan 8.360 nan 0.000 0.393 631 I N 1.939 122.455 120.570 -0.090 0.000 2.509 631 I HA 0.344 4.508 4.170 -0.009 0.000 0.293 631 I C -0.413 175.605 176.117 -0.163 0.000 1.020 631 I CA -0.587 60.557 61.300 -0.260 0.000 1.088 631 I CB 2.214 40.061 38.000 -0.255 0.000 1.267 631 I HN 0.392 nan 8.210 nan 0.000 0.430 632 T N 3.081 117.494 114.554 -0.236 0.000 2.886 632 T HA 0.493 4.837 4.350 -0.009 0.000 0.292 632 T C -0.577 174.031 174.700 -0.154 0.000 1.012 632 T CA -0.784 61.236 62.100 -0.133 0.000 0.982 632 T CB 1.775 70.591 68.868 -0.086 0.000 1.018 632 T HN 0.681 nan 8.240 nan 0.000 0.451 633 S N 1.379 117.009 115.700 -0.117 0.000 2.521 633 S HA 0.909 5.373 4.470 -0.009 0.000 0.295 633 S C -0.674 173.876 174.600 -0.084 0.000 1.098 633 S CA -0.721 57.413 58.200 -0.110 0.000 0.999 633 S CB 1.345 64.469 63.200 -0.127 0.000 1.034 633 S HN 1.153 nan 8.310 nan 0.000 0.483 634 S N 0.958 116.618 115.700 -0.067 0.000 2.675 634 S HA 0.560 5.024 4.470 -0.009 0.000 0.297 634 S C -0.257 174.318 174.600 -0.042 0.000 1.035 634 S CA -0.565 57.602 58.200 -0.055 0.000 0.852 634 S CB 0.201 63.373 63.200 -0.047 0.000 1.051 634 S HN 1.777 nan 8.310 nan 0.000 0.451 635 S N 1.740 117.417 115.700 -0.038 0.000 3.614 635 S HA -0.224 4.241 4.470 -0.009 0.000 0.360 635 S C 0.574 175.156 174.600 -0.029 0.000 1.023 635 S CA 0.930 59.112 58.200 -0.030 0.000 1.114 635 S CB -2.454 60.731 63.200 -0.025 0.000 0.907 635 S HN 1.311 nan 8.310 nan 0.000 0.470 636 N N -0.489 118.191 118.700 -0.034 0.000 2.708 636 N HA -0.258 4.476 4.740 -0.009 0.000 0.251 636 N C -0.305 175.189 175.510 -0.026 0.000 1.123 636 N CA 1.480 54.510 53.050 -0.033 0.000 0.739 636 N CB -0.384 38.083 38.487 -0.033 0.000 1.113 636 N HN 0.912 nan 8.380 nan 0.000 0.561 637 E N 0.721 120.906 120.200 -0.025 0.000 2.238 637 E HA 0.554 4.899 4.350 -0.009 0.000 0.267 637 E C -1.031 175.555 176.600 -0.024 0.000 0.887 637 E CA -0.712 55.681 56.400 -0.012 0.000 0.769 637 E CB 1.255 30.950 29.700 -0.007 0.000 1.187 637 E HN 0.160 nan 8.360 nan 0.000 0.416 638 I N 4.355 124.925 120.570 0.001 0.000 2.390 638 I HA 0.295 4.459 4.170 -0.009 0.000 0.283 638 I C -0.344 175.754 176.117 -0.032 0.000 1.016 638 I CA -0.665 60.599 61.300 -0.059 0.000 1.151 638 I CB 1.351 39.338 38.000 -0.022 0.000 1.293 638 I HN 0.289 nan 8.210 nan 0.000 0.458 639 K N 5.569 125.893 120.400 -0.127 0.000 2.118 639 K HA 0.641 4.955 4.320 -0.009 0.000 0.267 639 K C -1.241 175.221 176.600 -0.230 0.000 0.991 639 K CA -0.473 55.795 56.287 -0.031 0.000 0.916 639 K CB 1.469 33.958 32.500 -0.018 0.000 1.041 639 K HN 0.223 nan 8.250 nan 0.000 0.455 640 F N 0.356 120.305 119.950 -0.002 0.000 2.493 640 F HA 0.108 4.629 4.527 -0.010 0.000 0.329 640 F C 1.397 177.195 175.800 -0.003 0.000 1.126 640 F CA -0.827 57.173 58.000 0.001 0.000 0.937 640 F CB 1.948 40.946 39.000 -0.002 0.000 1.146 640 F HN 0.623 nan 8.300 nan 0.000 0.442 641 S N 2.559 118.332 115.700 0.122 0.000 2.442 641 S HA -0.047 4.418 4.470 -0.009 0.000 0.236 641 S C 0.516 175.164 174.600 0.079 0.000 1.007 641 S CA 0.589 58.830 58.200 0.069 0.000 0.965 641 S CB -0.309 62.906 63.200 0.026 0.000 0.773 641 S HN 0.768 nan 8.310 nan 0.000 0.504 642 R N -0.244 120.326 120.500 0.116 0.000 2.712 642 R HA 0.409 4.743 4.340 -0.009 0.000 0.272 642 R C -1.422 174.921 176.300 0.073 0.000 1.032 642 R CA -0.959 55.187 56.100 0.076 0.000 0.874 642 R CB 0.549 30.878 30.300 0.047 0.000 1.256 642 R HN 0.138 nan 8.270 nan 0.000 0.468 643 E N 2.282 122.497 120.200 0.024 0.000 2.415 643 E HA 0.197 4.541 4.350 -0.009 0.000 0.260 643 E C -0.463 176.130 176.600 -0.012 0.000 1.016 643 E CA -0.180 56.208 56.400 -0.020 0.000 0.924 643 E CB 0.413 30.103 29.700 -0.016 0.000 0.961 643 E HN 0.434 nan 8.360 nan 0.000 0.459 644 I N 1.588 122.118 120.570 -0.068 0.000 2.894 644 I HA 0.385 4.550 4.170 -0.009 0.000 0.302 644 I C -1.271 174.822 176.117 -0.039 0.000 1.188 644 I CA -1.327 59.967 61.300 -0.011 0.000 1.014 644 I CB 1.336 39.367 38.000 0.052 0.000 1.242 644 I HN 0.437 nan 8.210 nan 0.000 0.430 645 Y N 4.512 124.773 120.300 -0.065 0.000 2.346 645 Y HA 0.639 5.183 4.550 -0.010 0.000 0.330 645 Y C -0.793 175.077 175.900 -0.049 0.000 1.178 645 Y CA 0.120 58.183 58.100 -0.061 0.000 1.331 645 Y CB 1.268 39.713 38.460 -0.026 0.000 1.253 645 Y HN 0.447 nan 8.280 nan 0.000 0.529 646 V N 6.492 126.019 119.914 -0.646 0.000 2.569 646 V HA 0.199 4.313 4.120 -0.009 0.000 0.301 646 V C 0.057 175.823 176.094 -0.547 0.000 1.044 646 V CA 0.035 62.108 62.300 -0.378 0.000 0.874 646 V CB 1.306 32.973 31.823 -0.259 0.000 1.002 646 V HN 0.990 nan 8.190 nan 0.000 0.424 647 S N 4.169 119.746 115.700 -0.204 0.000 2.291 647 S HA 0.212 4.677 4.470 -0.009 0.000 0.185 647 S C 0.677 175.234 174.600 -0.073 0.000 0.996 647 S CA 0.171 58.317 58.200 -0.090 0.000 0.997 647 S CB 0.043 63.315 63.200 0.120 0.000 0.899 647 S HN 0.594 nan 8.310 nan 0.000 0.493 648 K N 0.807 121.195 120.400 -0.020 0.000 2.185 648 K HA 0.545 4.859 4.320 -0.009 0.000 0.269 648 K C -1.642 174.946 176.600 -0.020 0.000 0.987 648 K CA -0.825 55.450 56.287 -0.020 0.000 0.865 648 K CB 1.120 33.616 32.500 -0.007 0.000 1.090 648 K HN 0.367 nan 8.250 nan 0.000 0.450 649 L N 3.429 124.640 121.223 -0.021 0.000 2.333 649 L HA 0.455 4.789 4.340 -0.009 0.000 0.280 649 L C -1.248 175.613 176.870 -0.015 0.000 1.004 649 L CA 0.187 55.020 54.840 -0.011 0.000 0.820 649 L CB 2.006 44.064 42.059 -0.001 0.000 1.247 649 L HN 0.614 nan 8.230 nan 0.000 0.416 650 T N 6.593 121.130 114.554 -0.029 0.000 2.792 650 T HA 0.615 4.959 4.350 -0.009 0.000 0.280 650 T C -0.244 174.417 174.700 -0.064 0.000 0.990 650 T CA -0.087 61.985 62.100 -0.046 0.000 0.960 650 T CB 0.755 69.582 68.868 -0.067 0.000 0.939 650 T HN 0.437 nan 8.240 nan 0.000 0.439 651 I N 3.482 124.028 120.570 -0.039 0.000 2.389 651 I HA 0.345 4.509 4.170 -0.009 0.000 0.288 651 I C 0.662 176.726 176.117 -0.089 0.000 0.999 651 I CA -0.813 60.462 61.300 -0.042 0.000 1.129 651 I CB 1.859 39.873 38.000 0.023 0.000 1.288 651 I HN 0.612 nan 8.210 nan 0.000 0.444 652 T N 2.274 116.664 114.554 -0.274 0.000 2.799 652 T HA 0.640 4.984 4.350 -0.009 0.000 0.286 652 T C -0.393 174.164 174.700 -0.238 0.000 0.973 652 T CA -0.536 61.251 62.100 -0.522 0.000 1.035 652 T CB 1.603 69.591 68.868 -1.467 0.000 0.932 652 T HN 0.554 nan 8.240 nan 0.000 0.469 653 S N 1.690 117.353 115.700 -0.061 0.000 2.542 653 S HA 0.296 4.761 4.470 -0.009 0.000 0.276 653 S C 0.395 175.075 174.600 0.133 0.000 1.148 653 S CA -0.706 57.542 58.200 0.081 0.000 0.886 653 S CB 1.714 64.982 63.200 0.114 0.000 1.109 653 S HN 0.829 nan 8.310 nan 0.000 0.458 654 E N 1.605 121.871 120.200 0.111 0.000 2.216 654 E HA 0.060 4.404 4.350 -0.009 0.000 0.192 654 E C -0.091 176.573 176.600 0.106 0.000 0.988 654 E CA 0.606 57.070 56.400 0.106 0.000 0.834 654 E CB 0.178 29.935 29.700 0.096 0.000 0.772 654 E HN 0.407 nan 8.360 nan 0.000 0.479 655 K N 2.332 122.780 120.400 0.080 0.000 2.172 655 K HA 0.219 4.534 4.320 -0.009 0.000 0.276 655 K C -2.400 174.195 176.600 -0.008 0.000 1.013 655 K CA -2.064 54.244 56.287 0.034 0.000 0.913 655 K CB 1.000 33.501 32.500 0.002 0.000 1.055 655 K HN -0.077 nan 8.250 nan 0.000 0.461 656 P HA -0.013 nan 4.420 nan 0.000 0.267 656 P C -0.679 176.341 177.300 -0.466 0.000 1.200 656 P CA -0.185 62.772 63.100 -0.238 0.000 0.772 656 P CB 0.679 32.333 31.700 -0.078 0.000 0.855 657 V N 2.489 121.834 119.914 -0.948 0.000 2.376 657 V HA 0.103 4.217 4.120 -0.009 0.000 0.287 657 V C 1.519 177.346 176.094 -0.445 0.000 1.015 657 V CA -0.032 61.889 62.300 -0.630 0.000 0.834 657 V CB 0.968 32.400 31.823 -0.652 0.000 1.001 657 V HN 0.717 nan 8.190 nan 0.000 0.428 658 S N 3.664 119.225 115.700 -0.232 0.000 2.439 658 S HA 0.159 4.624 4.470 -0.009 0.000 0.224 658 S C 0.522 175.069 174.600 -0.088 0.000 1.029 658 S CA 0.215 58.338 58.200 -0.129 0.000 0.946 658 S CB 0.052 63.200 63.200 -0.086 0.000 0.797 658 S HN 0.846 nan 8.310 nan 0.000 0.504 659 K N 0.375 120.721 120.400 -0.091 0.000 2.607 659 K HA 0.649 4.964 4.320 -0.009 0.000 0.287 659 K C -1.394 175.171 176.600 -0.057 0.000 0.996 659 K CA -1.216 55.035 56.287 -0.059 0.000 0.876 659 K CB 1.113 33.587 32.500 -0.044 0.000 1.496 659 K HN 0.300 nan 8.250 nan 0.000 0.415 660 I N -1.493 119.053 120.570 -0.041 0.000 2.892 660 I HA 0.651 4.815 4.170 -0.009 0.000 0.306 660 I C -1.083 175.017 176.117 -0.028 0.000 1.078 660 I CA -1.408 59.872 61.300 -0.033 0.000 1.032 660 I CB 1.908 39.893 38.000 -0.024 0.000 1.229 660 I HN 0.574 nan 8.210 nan 0.000 0.435 661 I N 4.466 125.023 120.570 -0.022 0.000 2.447 661 I HA 0.342 4.507 4.170 -0.009 0.000 0.287 661 I C -0.647 175.458 176.117 -0.020 0.000 1.023 661 I CA -1.004 60.283 61.300 -0.022 0.000 1.083 661 I CB 2.072 40.061 38.000 -0.019 0.000 1.245 661 I HN 0.323 nan 8.210 nan 0.000 0.434 662 V N 5.814 125.709 119.914 -0.032 0.000 2.408 662 V HA 0.123 4.237 4.120 -0.009 0.000 0.267 662 V C 0.230 176.302 176.094 -0.038 0.000 1.047 662 V CA -0.167 62.106 62.300 -0.045 0.000 0.937 662 V CB 0.519 32.299 31.823 -0.071 0.000 0.999 662 V HN 0.854 nan 8.190 nan 0.000 0.472 663 D N 3.938 124.321 120.400 -0.028 0.000 2.708 663 D HA -0.202 4.433 4.640 -0.009 0.000 0.236 663 D C 0.735 177.027 176.300 -0.013 0.000 1.146 663 D CA 1.088 55.076 54.000 -0.019 0.000 0.662 663 D CB -0.662 40.118 40.800 -0.033 0.000 1.059 663 D HN 0.934 nan 8.370 nan 0.000 0.428 664 D N -2.395 117.999 120.400 -0.010 0.000 2.955 664 D HA -0.258 4.376 4.640 -0.009 0.000 0.205 664 D C 1.217 177.509 176.300 -0.013 0.000 1.104 664 D CA 1.992 55.986 54.000 -0.009 0.000 1.005 664 D CB -1.373 39.423 40.800 -0.006 0.000 1.123 664 D HN 0.608 nan 8.370 nan 0.000 0.407 665 S N -1.510 114.180 115.700 -0.016 0.000 2.578 665 S HA 0.202 4.666 4.470 -0.009 0.000 0.228 665 S C 0.497 175.086 174.600 -0.019 0.000 1.022 665 S CA -0.258 57.932 58.200 -0.016 0.000 0.967 665 S CB 1.560 64.751 63.200 -0.016 0.000 0.914 665 S HN 0.192 nan 8.310 nan 0.000 0.515 666 K N 1.719 122.105 120.400 -0.023 0.000 2.471 666 K HA 0.343 4.658 4.320 -0.009 0.000 0.252 666 K C -1.436 175.148 176.600 -0.027 0.000 0.938 666 K CA -0.301 55.970 56.287 -0.025 0.000 0.796 666 K CB 1.876 34.357 32.500 -0.031 0.000 1.161 666 K HN 0.288 nan 8.250 nan 0.000 0.425 667 E N 5.518 125.703 120.200 -0.024 0.000 2.197 667 E HA 0.301 4.645 4.350 -0.009 0.000 0.281 667 E C -1.016 175.569 176.600 -0.025 0.000 0.995 667 E CA -0.547 55.839 56.400 -0.024 0.000 0.808 667 E CB 0.860 30.547 29.700 -0.021 0.000 1.093 667 E HN 0.490 nan 8.360 nan 0.000 0.394 668 I N 3.919 124.473 120.570 -0.027 0.000 2.466 668 I HA 0.153 4.317 4.170 -0.009 0.000 0.289 668 I C -0.110 175.994 176.117 -0.022 0.000 1.026 668 I CA -1.162 60.122 61.300 -0.027 0.000 1.078 668 I CB 1.869 39.848 38.000 -0.035 0.000 1.249 668 I HN 0.473 nan 8.210 nan 0.000 0.429 669 Q N 4.044 123.834 119.800 -0.017 0.000 2.361 669 Q HA 0.240 4.575 4.340 -0.009 0.000 0.276 669 Q C -0.647 175.351 176.000 -0.003 0.000 1.022 669 Q CA 0.179 55.975 55.803 -0.010 0.000 0.898 669 Q CB 1.535 30.270 28.738 -0.006 0.000 1.246 669 Q HN 0.370 nan 8.270 nan 0.000 0.410 670 V N 2.456 122.373 119.914 0.004 0.000 2.495 670 V HA 0.297 4.412 4.120 -0.009 0.000 0.298 670 V C -0.110 176.022 176.094 0.063 0.000 1.031 670 V CA -0.701 61.617 62.300 0.029 0.000 0.871 670 V CB 1.971 33.803 31.823 0.015 0.000 0.988 670 V HN 0.731 nan 8.190 nan 0.000 0.432 671 E N 4.092 124.339 120.200 0.079 0.000 2.171 671 E HA 0.376 4.721 4.350 -0.009 0.000 0.271 671 E C -0.612 176.050 176.600 0.105 0.000 0.916 671 E CA -0.834 55.613 56.400 0.079 0.000 0.774 671 E CB 1.471 31.191 29.700 0.033 0.000 1.128 671 E HN 0.626 nan 8.360 nan 0.000 0.403 672 K N 3.519 123.987 120.400 0.113 0.000 2.310 672 K HA 0.077 4.391 4.320 -0.009 0.000 0.290 672 K C 0.709 177.257 176.600 -0.086 0.000 1.077 672 K CA 0.246 56.516 56.287 -0.029 0.000 0.922 672 K CB 0.536 33.050 32.500 0.023 0.000 1.057 672 K HN 0.655 nan 8.250 nan 0.000 0.479 673 T N 1.694 116.167 114.554 -0.136 0.000 3.035 673 T HA 0.077 4.421 4.350 -0.009 0.000 0.259 673 T C 0.868 175.504 174.700 -0.106 0.000 1.078 673 T CA 0.340 62.382 62.100 -0.096 0.000 1.132 673 T CB -0.268 68.549 68.868 -0.085 0.000 0.900 673 T HN 0.720 nan 8.240 nan 0.000 0.480 674 M N -0.227 119.279 119.600 -0.158 0.000 3.012 674 M HA 0.378 4.852 4.480 -0.009 0.000 0.272 674 M C -1.659 174.539 176.300 -0.171 0.000 1.187 674 M CA -1.344 53.880 55.300 -0.127 0.000 0.813 674 M CB 1.609 34.150 32.600 -0.098 0.000 1.626 674 M HN 0.040 nan 8.290 nan 0.000 0.507 675 Q N 1.342 121.075 119.800 -0.111 0.000 2.310 675 Q HA 0.085 4.420 4.340 -0.009 0.000 0.315 675 Q C -0.498 175.434 176.000 -0.112 0.000 1.081 675 Q CA 0.808 56.553 55.803 -0.097 0.000 0.981 675 Q CB -0.171 28.543 28.738 -0.040 0.000 1.184 675 Q HN 0.824 nan 8.270 nan 0.000 0.389 676 N N 0.316 118.925 118.700 -0.152 0.000 2.765 676 N HA -0.150 4.584 4.740 -0.009 0.000 0.248 676 N C -1.031 174.293 175.510 -0.311 0.000 1.063 676 N CA 1.735 54.707 53.050 -0.130 0.000 0.862 676 N CB -1.513 36.985 38.487 0.017 0.000 1.145 676 N HN 0.759 nan 8.380 nan 0.000 0.581 677 T N 0.995 115.239 114.554 -0.517 0.000 2.791 677 T HA 0.542 4.886 4.350 -0.009 0.000 0.288 677 T C -0.531 173.755 174.700 -0.690 0.000 0.999 677 T CA -0.370 61.461 62.100 -0.448 0.000 0.952 677 T CB 0.823 69.583 68.868 -0.180 0.000 0.938 677 T HN 0.029 nan 8.240 nan 0.000 0.444 678 Y N 1.338 121.591 120.300 -0.077 0.000 2.376 678 Y HA 0.622 5.167 4.550 -0.007 0.000 0.340 678 Y C -0.125 175.738 175.900 -0.061 0.000 0.965 678 Y CA -1.150 56.914 58.100 -0.059 0.000 1.078 678 Y CB 1.510 39.936 38.460 -0.057 0.000 1.193 678 Y HN 0.335 nan 8.280 nan 0.000 0.452 679 V N 2.579 122.541 119.914 0.080 0.000 2.628 679 V HA 0.888 5.002 4.120 -0.009 0.000 0.306 679 V C -0.530 175.582 176.094 0.030 0.000 1.045 679 V CA -0.941 61.376 62.300 0.028 0.000 0.905 679 V CB 1.708 33.528 31.823 -0.005 0.000 0.997 679 V HN 0.851 nan 8.190 nan 0.000 0.436 680 A N 4.058 126.883 122.820 0.009 0.000 2.353 680 A HA 0.696 5.011 4.320 -0.009 0.000 0.299 680 A C -0.433 177.140 177.584 -0.019 0.000 1.089 680 A CA -0.800 51.235 52.037 -0.003 0.000 0.736 680 A CB 1.054 20.050 19.000 -0.008 0.000 1.195 680 A HN 0.611 nan 8.150 nan 0.000 0.447 681 K N 4.175 124.564 120.400 -0.019 0.000 2.183 681 K HA 0.273 4.587 4.320 -0.009 0.000 0.272 681 K C 0.468 177.040 176.600 -0.046 0.000 1.113 681 K CA 0.004 56.276 56.287 -0.026 0.000 0.949 681 K CB 0.513 33.005 32.500 -0.013 0.000 1.365 681 K HN 0.740 nan 8.250 nan 0.000 0.420 682 I N 0.945 121.468 120.570 -0.078 0.000 2.296 682 I HA -0.209 3.955 4.170 -0.009 0.000 0.242 682 I C 0.105 176.127 176.117 -0.158 0.000 1.087 682 I CA 0.166 61.394 61.300 -0.121 0.000 1.393 682 I CB -0.109 37.794 38.000 -0.162 0.000 1.093 682 I HN 0.586 nan 8.210 nan 0.000 0.421 683 N N 3.266 121.835 118.700 -0.218 0.000 2.686 683 N HA -0.216 4.518 4.740 -0.009 0.000 0.261 683 N C -0.435 174.929 175.510 -0.244 0.000 1.001 683 N CA 0.966 53.893 53.050 -0.205 0.000 0.764 683 N CB -1.138 37.368 38.487 0.031 0.000 0.898 683 N HN 0.729 nan 8.380 nan 0.000 0.544 684 Q N -2.368 117.065 119.800 -0.611 0.000 2.702 684 Q HA 0.369 4.704 4.340 -0.009 0.000 0.289 684 Q C -1.390 174.388 176.000 -0.371 0.000 0.923 684 Q CA -1.115 54.522 55.803 -0.277 0.000 0.787 684 Q CB 1.308 29.977 28.738 -0.115 0.000 1.476 684 Q HN 0.008 nan 8.270 nan 0.000 0.402 685 K N 1.013 121.375 120.400 -0.065 0.000 2.295 685 K HA 0.426 4.740 4.320 -0.009 0.000 0.270 685 K C -0.550 175.949 176.600 -0.168 0.000 1.011 685 K CA 0.006 56.252 56.287 -0.067 0.000 0.953 685 K CB 0.561 33.082 32.500 0.036 0.000 0.956 685 K HN 0.425 nan 8.250 nan 0.000 0.477 686 I N 3.544 123.964 120.570 -0.250 0.000 2.410 686 I HA 0.181 4.346 4.170 -0.009 0.000 0.286 686 I C 1.294 177.261 176.117 -0.249 0.000 1.009 686 I CA -0.749 60.361 61.300 -0.316 0.000 1.111 686 I CB 1.634 39.279 38.000 -0.592 0.000 1.262 686 I HN 0.519 nan 8.210 nan 0.000 0.443 687 R N 4.150 124.565 120.500 -0.142 0.000 2.080 687 R HA -0.086 4.248 4.340 -0.009 0.000 0.236 687 R C 1.363 177.638 176.300 -0.043 0.000 1.137 687 R CA 1.774 57.831 56.100 -0.072 0.000 0.943 687 R CB -0.325 29.951 30.300 -0.042 0.000 0.846 687 R HN 0.893 nan 8.270 nan 0.000 0.431 688 G N -0.205 108.580 108.800 -0.026 0.000 3.462 688 G HA2 0.066 4.020 3.960 -0.009 0.000 0.168 688 G HA3 0.066 4.020 3.960 -0.009 0.000 0.168 688 G C -0.304 174.718 174.900 0.204 0.000 1.220 688 G CA 0.099 45.253 45.100 0.090 0.000 0.862 688 G HN 0.308 nan 8.290 nan 0.000 0.812 689 K N -0.402 120.075 120.400 0.128 0.000 2.607 689 K HA 0.730 5.044 4.320 -0.009 0.000 0.287 689 K C -2.065 174.608 176.600 0.122 0.000 0.996 689 K CA -0.939 55.469 56.287 0.202 0.000 0.876 689 K CB 1.333 33.904 32.500 0.119 0.000 1.496 689 K HN -0.008 nan 8.250 nan 0.000 0.415 690 I N 1.415 122.082 120.570 0.162 0.000 2.619 690 I HA 0.333 4.498 4.170 -0.009 0.000 0.292 690 I C -1.342 174.807 176.117 0.054 0.000 1.100 690 I CA -1.031 60.323 61.300 0.091 0.000 1.043 690 I CB 2.401 40.479 38.000 0.129 0.000 1.239 690 I HN 0.646 nan 8.210 nan 0.000 0.420 691 N N 4.862 123.574 118.700 0.019 0.000 2.319 691 N HA 0.718 5.452 4.740 -0.009 0.000 0.305 691 N C -1.456 174.045 175.510 -0.015 0.000 1.103 691 N CA -0.563 52.488 53.050 0.001 0.000 0.815 691 N CB 1.855 40.339 38.487 -0.005 0.000 1.288 691 N HN 0.260 nan 8.380 nan 0.000 0.493 692 L N 1.095 122.302 121.223 -0.026 0.000 2.334 692 L HA 0.546 4.880 4.340 -0.009 0.000 0.276 692 L C 0.221 177.058 176.870 -0.055 0.000 1.014 692 L CA -0.268 54.544 54.840 -0.046 0.000 0.815 692 L CB 1.348 43.374 42.059 -0.054 0.000 1.268 692 L HN 0.586 nan 8.230 nan 0.000 0.428 693 E N 0.000 120.157 120.200 -0.072 0.000 2.725 693 E HA 0.000 4.344 4.350 -0.009 0.000 0.291 693 E CA 0.000 56.358 56.400 -0.071 0.000 0.976 693 E CB 0.000 29.668 29.700 -0.053 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440