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 2g3m_1_A 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 0.000 176.124 176.117 0.012 0.000 1.063 3 I CA 0.000 61.308 61.300 0.014 0.000 1.566 3 I CB 0.000 38.013 38.000 0.022 0.000 1.214 4 L N 5.994 127.215 121.223 -0.004 0.000 2.482 4 L HA 0.616 4.956 4.340 -0.001 0.000 0.269 4 L C -1.501 175.333 176.870 -0.059 0.000 0.967 4 L CA -0.473 54.355 54.840 -0.020 0.000 0.851 4 L CB 1.450 43.499 42.059 -0.015 0.000 1.242 4 L HN 0.513 nan 8.230 nan 0.000 0.404 5 K N 5.766 126.116 120.400 -0.083 0.000 2.422 5 K HA 0.662 4.982 4.320 -0.001 0.000 0.251 5 K C -1.213 175.224 176.600 -0.271 0.000 0.933 5 K CA -0.495 55.678 56.287 -0.189 0.000 0.798 5 K CB 2.898 35.332 32.500 -0.110 0.000 1.238 5 K HN 0.552 nan 8.250 nan 0.000 0.428 6 I N 2.752 123.057 120.570 -0.442 0.000 2.533 6 I HA 0.365 4.535 4.170 -0.001 0.000 0.290 6 I C -1.197 174.612 176.117 -0.514 0.000 1.056 6 I CA -0.998 60.105 61.300 -0.329 0.000 1.057 6 I CB 1.529 39.435 38.000 -0.157 0.000 1.240 6 I HN 0.420 nan 8.210 nan 0.000 0.423 7 Y N 3.791 124.065 120.300 -0.044 0.000 2.391 7 Y HA 0.403 4.953 4.550 -0.001 0.000 0.341 7 Y C 0.021 175.882 175.900 -0.065 0.000 0.965 7 Y CA -0.778 57.297 58.100 -0.041 0.000 1.067 7 Y CB 1.729 40.159 38.460 -0.050 0.000 1.199 7 Y HN 0.403 nan 8.280 nan 0.000 0.450 8 E N 3.015 123.222 120.200 0.011 0.000 2.156 8 E HA 0.262 4.612 4.350 -0.001 0.000 0.279 8 E C -1.531 174.986 176.600 -0.138 0.000 0.965 8 E CA -0.482 55.786 56.400 -0.218 0.000 0.789 8 E CB 1.307 30.823 29.700 -0.306 0.000 1.098 8 E HN 0.771 nan 8.360 nan 0.000 0.397 9 N N 3.343 121.942 118.700 -0.168 0.000 2.571 9 N HA 0.142 4.882 4.740 -0.001 0.000 0.286 9 N C -1.571 173.868 175.510 -0.118 0.000 1.138 9 N CA -0.378 52.613 53.050 -0.097 0.000 0.859 9 N CB 0.401 38.867 38.487 -0.034 0.000 1.414 9 N HN 0.468 nan 8.380 nan 0.000 0.529 10 K N 2.507 122.838 120.400 -0.116 0.000 3.419 10 K HA -0.187 4.132 4.320 -0.001 0.000 0.272 10 K C 0.669 177.199 176.600 -0.117 0.000 0.973 10 K CA 0.769 56.996 56.287 -0.100 0.000 0.749 10 K CB -1.705 30.751 32.500 -0.074 0.000 1.403 10 K HN 0.986 nan 8.250 nan 0.000 0.456 11 G N -1.341 107.359 108.800 -0.167 0.000 2.155 11 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.257 11 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.257 11 G C 0.071 174.880 174.900 -0.152 0.000 0.983 11 G CA 0.178 45.191 45.100 -0.146 0.000 0.676 11 G HN 0.371 nan 8.290 nan 0.000 0.528 12 V N 0.409 120.192 119.914 -0.218 0.000 2.444 12 V HA 0.585 4.705 4.120 -0.001 0.000 0.294 12 V C -0.554 175.427 176.094 -0.188 0.000 1.022 12 V CA -1.137 61.103 62.300 -0.099 0.000 0.850 12 V CB 1.448 33.266 31.823 -0.010 0.000 0.992 12 V HN 0.234 nan 8.190 nan 0.000 0.426 13 Y N 3.337 123.644 120.300 0.012 0.000 2.335 13 Y HA 0.460 5.010 4.550 -0.001 0.000 0.339 13 Y C 0.410 176.252 175.900 -0.097 0.000 0.987 13 Y CA -0.508 57.571 58.100 -0.035 0.000 1.140 13 Y CB 1.427 39.841 38.460 -0.076 0.000 1.173 13 Y HN 0.477 nan 8.280 nan 0.000 0.486 14 K N 3.695 124.098 120.400 0.005 0.000 2.281 14 K HA 0.537 4.856 4.320 -0.001 0.000 0.272 14 K C -1.524 174.895 176.600 -0.302 0.000 1.048 14 K CA -0.443 55.675 56.287 -0.282 0.000 0.898 14 K CB 0.582 32.994 32.500 -0.147 0.000 1.128 14 K HN 0.515 nan 8.250 nan 0.000 0.460 15 V N 5.221 124.742 119.914 -0.656 0.000 2.383 15 V HA 0.234 4.354 4.120 -0.001 0.000 0.275 15 V C -0.314 175.458 176.094 -0.537 0.000 1.036 15 V CA -0.867 61.025 62.300 -0.681 0.000 0.889 15 V CB 1.378 32.438 31.823 -1.272 0.000 0.985 15 V HN 0.474 nan 8.190 nan 0.000 0.459 16 V N 6.364 126.143 119.914 -0.225 0.000 2.370 16 V HA 0.467 4.586 4.120 -0.001 0.000 0.283 16 V C -0.157 175.922 176.094 -0.024 0.000 1.023 16 V CA -0.492 61.756 62.300 -0.086 0.000 0.857 16 V CB 1.588 33.433 31.823 0.037 0.000 0.985 16 V HN 0.582 nan 8.190 nan 0.000 0.443 17 I N 4.588 125.178 120.570 0.032 0.000 2.339 17 I HA 0.667 4.837 4.170 -0.001 0.000 0.290 17 I C 0.981 177.136 176.117 0.063 0.000 0.994 17 I CA 0.432 61.774 61.300 0.069 0.000 1.191 17 I CB 0.498 38.579 38.000 0.135 0.000 1.343 17 I HN 0.865 nan 8.210 nan 0.000 0.458 18 G N 7.395 116.224 108.800 0.049 0.000 2.547 18 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.271 18 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.271 18 G C -0.139 174.792 174.900 0.051 0.000 1.209 18 G CA -0.240 44.887 45.100 0.045 0.000 0.959 18 G HN 0.652 nan 8.290 nan 0.000 0.563 19 E N 1.642 121.876 120.200 0.056 0.000 2.683 19 E HA 0.423 4.772 4.350 -0.001 0.000 0.224 19 E C -2.562 174.095 176.600 0.095 0.000 1.046 19 E CA -1.541 54.901 56.400 0.068 0.000 0.811 19 E CB 1.661 31.397 29.700 0.059 0.000 1.296 19 E HN 0.317 nan 8.360 nan 0.000 0.421 20 P HA 0.023 nan 4.420 nan 0.000 0.269 20 P C -0.953 176.454 177.300 0.178 0.000 1.215 20 P CA -0.145 63.026 63.100 0.119 0.000 0.780 20 P CB 0.400 32.148 31.700 0.079 0.000 0.898 21 F N 2.936 122.897 119.950 0.019 0.000 2.686 21 F HA 0.384 4.910 4.527 -0.001 0.000 0.365 21 F C -2.405 173.405 175.800 0.017 0.000 1.196 21 F CA -2.714 55.292 58.000 0.009 0.000 1.198 21 F CB 0.411 39.406 39.000 -0.008 0.000 1.454 21 F HN 0.174 nan 8.300 nan 0.000 0.539 22 P HA 0.090 nan 4.420 nan 0.000 0.266 22 P C -2.141 175.079 177.300 -0.133 0.000 1.193 22 P CA -0.758 62.287 63.100 -0.091 0.000 0.770 22 P CB 0.408 32.054 31.700 -0.090 0.000 0.836 23 P HA -0.009 nan 4.420 nan 0.000 0.217 23 P C 0.340 177.717 177.300 0.128 0.000 1.150 23 P CA 1.276 64.408 63.100 0.054 0.000 0.832 23 P CB 0.315 32.013 31.700 -0.003 0.000 0.787 24 I N -1.913 118.641 120.570 -0.026 0.000 2.841 24 I HA 0.244 4.414 4.170 -0.001 0.000 0.298 24 I C -1.338 174.524 176.117 -0.425 0.000 1.304 24 I CA -1.046 60.165 61.300 -0.148 0.000 1.019 24 I CB 2.618 40.465 38.000 -0.256 0.000 1.282 24 I HN -0.321 nan 8.210 nan 0.000 0.432 25 E N 5.677 125.663 120.200 -0.356 0.000 2.197 25 E HA 0.374 4.723 4.350 -0.001 0.000 0.281 25 E C -1.685 174.707 176.600 -0.347 0.000 0.995 25 E CA -0.498 55.720 56.400 -0.303 0.000 0.808 25 E CB 1.571 31.181 29.700 -0.150 0.000 1.093 25 E HN 0.233 nan 8.360 nan 0.000 0.394 26 F N 3.506 123.489 119.950 0.055 0.000 2.436 26 F HA 0.298 4.825 4.527 -0.001 0.000 0.340 26 F C -1.613 174.188 175.800 0.001 0.000 1.113 26 F CA -2.751 55.252 58.000 0.005 0.000 1.022 26 F CB 0.634 39.617 39.000 -0.028 0.000 1.128 26 F HN 0.259 nan 8.300 nan 0.000 0.466 27 P HA 0.327 nan 4.420 nan 0.000 0.271 27 P C -1.175 176.157 177.300 0.054 0.000 1.216 27 P CA -0.223 62.919 63.100 0.070 0.000 0.776 27 P CB 1.859 33.581 31.700 0.037 0.000 0.881 28 L N 1.625 122.864 121.223 0.027 0.000 2.752 28 L HA 0.149 4.488 4.340 -0.001 0.000 0.257 28 L C 1.114 177.969 176.870 -0.026 0.000 0.968 28 L CA -0.316 54.532 54.840 0.013 0.000 0.953 28 L CB 1.035 43.136 42.059 0.069 0.000 1.286 28 L HN 0.300 nan 8.230 nan 0.000 0.443 29 E N 1.163 121.349 120.200 -0.023 0.000 2.301 29 E HA -0.200 4.150 4.350 -0.001 0.000 0.202 29 E C 0.112 176.695 176.600 -0.029 0.000 1.017 29 E CA 0.921 57.305 56.400 -0.026 0.000 0.831 29 E CB 0.152 29.840 29.700 -0.019 0.000 0.742 29 E HN 0.534 nan 8.360 nan 0.000 0.491 30 Q N 0.468 120.252 119.800 -0.027 0.000 2.262 30 Q HA -0.006 4.333 4.340 -0.001 0.000 0.272 30 Q C 0.230 176.214 176.000 -0.026 0.000 1.076 30 Q CA 0.826 56.636 55.803 0.011 0.000 0.905 30 Q CB 1.085 29.882 28.738 0.099 0.000 1.182 30 Q HN 0.059 nan 8.270 nan 0.000 0.390 31 K N 2.018 122.438 120.400 0.034 0.000 2.358 31 K HA 0.304 4.624 4.320 -0.001 0.000 0.200 31 K C 0.165 176.861 176.600 0.159 0.000 1.030 31 K CA 0.191 56.504 56.287 0.043 0.000 1.097 31 K CB 0.803 33.315 32.500 0.020 0.000 0.862 31 K HN 0.435 nan 8.250 nan 0.000 0.534 32 I N 2.127 122.811 120.570 0.190 0.000 2.355 32 I HA 0.116 4.285 4.170 -0.001 0.000 0.288 32 I C 0.017 176.225 176.117 0.153 0.000 0.999 32 I CA -0.813 60.578 61.300 0.151 0.000 1.163 32 I CB 1.624 39.667 38.000 0.071 0.000 1.316 32 I HN 0.041 nan 8.210 nan 0.000 0.454 33 S N 4.014 119.713 115.700 -0.002 0.000 2.573 33 S HA 0.195 4.665 4.470 -0.001 0.000 0.277 33 S C 0.174 174.660 174.600 -0.189 0.000 1.346 33 S CA -0.625 57.347 58.200 -0.379 0.000 1.034 33 S CB 1.525 64.443 63.200 -0.470 0.000 0.879 33 S HN 0.618 nan 8.310 nan 0.000 0.528 34 S N 0.399 115.973 115.700 -0.209 0.000 2.669 34 S HA 0.307 4.777 4.470 -0.001 0.000 0.270 34 S C 0.695 175.252 174.600 -0.071 0.000 1.225 34 S CA -0.746 57.408 58.200 -0.078 0.000 0.991 34 S CB 0.209 63.409 63.200 0.000 0.000 0.987 34 S HN 0.821 nan 8.310 nan 0.000 0.552 35 N N -0.139 118.547 118.700 -0.024 0.000 2.236 35 N HA 0.111 4.851 4.740 -0.001 0.000 0.196 35 N C -0.564 174.935 175.510 -0.017 0.000 1.114 35 N CA -0.196 52.839 53.050 -0.026 0.000 0.859 35 N CB 0.236 38.715 38.487 -0.014 0.000 0.982 35 N HN 0.358 nan 8.380 nan 0.000 0.493 36 K N 2.099 122.503 120.400 0.005 0.000 2.451 36 K HA 0.021 4.341 4.320 -0.001 0.000 0.280 36 K C 0.000 176.569 176.600 -0.051 0.000 1.020 36 K CA -0.019 56.261 56.287 -0.011 0.000 1.008 36 K CB 0.450 32.964 32.500 0.024 0.000 0.917 36 K HN 0.023 nan 8.250 nan 0.000 0.478 37 S N 3.546 119.212 115.700 -0.056 0.000 2.690 37 S HA 0.306 4.776 4.470 -0.001 0.000 0.291 37 S C 1.237 175.804 174.600 -0.055 0.000 1.138 37 S CA -0.899 57.272 58.200 -0.049 0.000 1.013 37 S CB 0.910 64.091 63.200 -0.031 0.000 1.053 37 S HN 0.583 nan 8.310 nan 0.000 0.539 38 L N 1.254 122.460 121.223 -0.028 0.000 2.083 38 L HA -0.083 4.257 4.340 -0.001 0.000 0.209 38 L C 3.059 179.931 176.870 0.002 0.000 1.083 38 L CA 1.509 56.350 54.840 0.002 0.000 0.752 38 L CB -0.791 41.290 42.059 0.038 0.000 0.899 38 L HN 0.939 nan 8.230 nan 0.000 0.433 39 S N 0.156 115.853 115.700 -0.005 0.000 2.365 39 S HA -0.251 4.219 4.470 -0.001 0.000 0.225 39 S C 1.798 176.390 174.600 -0.013 0.000 1.039 39 S CA 1.828 60.025 58.200 -0.004 0.000 1.033 39 S CB -0.166 63.031 63.200 -0.006 0.000 0.887 39 S HN 0.500 nan 8.310 nan 0.000 0.447 40 E N 0.242 120.422 120.200 -0.032 0.000 2.268 40 E HA -0.004 4.345 4.350 -0.001 0.000 0.195 40 E C 1.722 178.281 176.600 -0.067 0.000 0.995 40 E CA 0.819 57.191 56.400 -0.047 0.000 0.836 40 E CB -0.150 29.514 29.700 -0.061 0.000 0.763 40 E HN 0.513 nan 8.360 nan 0.000 0.491 41 L N -0.267 120.912 121.223 -0.074 0.000 2.592 41 L HA 0.164 4.503 4.340 -0.001 0.000 0.227 41 L C 1.179 178.074 176.870 0.042 0.000 1.127 41 L CA 0.173 54.975 54.840 -0.064 0.000 0.884 41 L CB 0.052 42.057 42.059 -0.090 0.000 1.065 41 L HN 0.233 nan 8.230 nan 0.000 0.457 42 G N 1.081 109.899 108.800 0.029 0.000 2.198 42 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.260 42 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.260 42 G C -0.058 174.877 174.900 0.058 0.000 1.025 42 G CA 0.140 45.265 45.100 0.043 0.000 0.769 42 G HN 0.264 nan 8.290 nan 0.000 0.507 43 L N -0.474 120.792 121.223 0.073 0.000 2.333 43 L HA 0.784 5.124 4.340 -0.001 0.000 0.269 43 L C 0.201 177.112 176.870 0.068 0.000 1.010 43 L CA -0.911 53.983 54.840 0.091 0.000 0.818 43 L CB 2.409 44.577 42.059 0.182 0.000 1.306 43 L HN 0.090 nan 8.230 nan 0.000 0.430 44 T N 2.752 117.337 114.554 0.053 0.000 2.861 44 T HA 0.677 5.027 4.350 -0.001 0.000 0.287 44 T C -0.543 174.184 174.700 0.045 0.000 1.003 44 T CA -0.309 61.813 62.100 0.038 0.000 0.977 44 T CB 1.586 70.461 68.868 0.012 0.000 0.996 44 T HN 0.269 nan 8.240 nan 0.000 0.448 45 I N 2.450 123.051 120.570 0.053 0.000 2.608 45 I HA 0.649 4.819 4.170 -0.001 0.000 0.295 45 I C -0.991 175.146 176.117 0.034 0.000 1.049 45 I CA -1.119 60.217 61.300 0.060 0.000 1.063 45 I CB 2.325 40.396 38.000 0.118 0.000 1.248 45 I HN 0.252 nan 8.210 nan 0.000 0.424 46 V N 5.123 125.048 119.914 0.019 0.000 2.623 46 V HA 0.333 4.453 4.120 -0.001 0.000 0.304 46 V C -0.689 175.408 176.094 0.006 0.000 1.054 46 V CA -0.637 61.667 62.300 0.007 0.000 0.882 46 V CB 2.011 33.828 31.823 -0.010 0.000 1.002 46 V HN 0.677 nan 8.190 nan 0.000 0.424 47 Q N 3.675 123.480 119.800 0.009 0.000 2.314 47 Q HA 0.568 4.908 4.340 -0.001 0.000 0.259 47 Q C -0.564 175.434 176.000 -0.003 0.000 0.951 47 Q CA -0.290 55.517 55.803 0.008 0.000 0.909 47 Q CB 2.394 31.142 28.738 0.016 0.000 1.236 47 Q HN 0.720 nan 8.270 nan 0.000 0.444 48 Q N 0.332 120.126 119.800 -0.010 0.000 3.331 48 Q HA 0.436 4.776 4.340 -0.001 0.000 0.279 48 Q C 0.146 176.136 176.000 -0.017 0.000 1.025 48 Q CA -0.966 54.827 55.803 -0.016 0.000 0.743 48 Q CB 0.478 29.201 28.738 -0.024 0.000 2.725 48 Q HN 0.742 nan 8.270 nan 0.000 0.380 49 G N 2.050 110.837 108.800 -0.022 0.000 2.624 49 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.292 49 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.292 49 G C -0.063 174.822 174.900 -0.025 0.000 0.777 49 G CA 0.061 45.147 45.100 -0.023 0.000 1.883 49 G HN 0.573 nan 8.290 nan 0.000 0.505 50 N N 0.086 118.775 118.700 -0.019 0.000 2.708 50 N HA -0.163 4.577 4.740 -0.001 0.000 0.249 50 N C 0.047 175.544 175.510 -0.021 0.000 1.097 50 N CA 1.531 54.570 53.050 -0.018 0.000 0.710 50 N CB -0.552 37.921 38.487 -0.023 0.000 1.032 50 N HN 0.625 nan 8.380 nan 0.000 0.551 51 K N -0.437 119.950 120.400 -0.021 0.000 2.502 51 K HA 0.613 4.933 4.320 -0.001 0.000 0.257 51 K C -0.821 175.766 176.600 -0.022 0.000 0.938 51 K CA -0.606 55.663 56.287 -0.030 0.000 0.819 51 K CB 2.731 35.203 32.500 -0.047 0.000 1.333 51 K HN -0.141 nan 8.250 nan 0.000 0.434 52 V N 3.808 123.707 119.914 -0.025 0.000 2.487 52 V HA 0.492 4.612 4.120 -0.001 0.000 0.298 52 V C -0.651 175.409 176.094 -0.057 0.000 1.028 52 V CA -0.737 61.556 62.300 -0.010 0.000 0.860 52 V CB 1.441 33.287 31.823 0.039 0.000 0.991 52 V HN 0.604 nan 8.190 nan 0.000 0.427 53 I N 5.096 125.632 120.570 -0.056 0.000 2.389 53 I HA 0.506 4.676 4.170 -0.001 0.000 0.288 53 I C -0.692 175.377 176.117 -0.080 0.000 0.999 53 I CA -0.792 60.449 61.300 -0.098 0.000 1.129 53 I CB 2.007 39.957 38.000 -0.084 0.000 1.288 53 I HN 0.263 nan 8.210 nan 0.000 0.444 54 V N 6.133 125.965 119.914 -0.136 0.000 2.384 54 V HA 0.382 4.501 4.120 -0.001 0.000 0.287 54 V C -0.119 175.914 176.094 -0.100 0.000 1.020 54 V CA -0.587 61.654 62.300 -0.098 0.000 0.850 54 V CB 1.643 33.380 31.823 -0.143 0.000 0.987 54 V HN 0.692 nan 8.190 nan 0.000 0.436 55 E N 3.535 123.706 120.200 -0.049 0.000 2.212 55 E HA 0.639 4.988 4.350 -0.001 0.000 0.268 55 E C -0.846 175.735 176.600 -0.031 0.000 0.902 55 E CA -0.841 55.528 56.400 -0.053 0.000 0.779 55 E CB 2.892 32.564 29.700 -0.047 0.000 1.172 55 E HN 0.523 nan 8.360 nan 0.000 0.409 56 K N 1.002 121.371 120.400 -0.051 0.000 2.469 56 K HA 0.326 4.646 4.320 -0.001 0.000 0.254 56 K C -0.683 175.882 176.600 -0.058 0.000 0.939 56 K CA -0.606 55.651 56.287 -0.049 0.000 0.812 56 K CB 1.771 34.216 32.500 -0.093 0.000 1.301 56 K HN 0.630 nan 8.250 nan 0.000 0.433 57 S N 2.057 117.732 115.700 -0.042 0.000 2.614 57 S HA 0.442 4.911 4.470 -0.001 0.000 0.265 57 S C -0.462 174.096 174.600 -0.071 0.000 1.303 57 S CA -0.748 57.423 58.200 -0.048 0.000 1.000 57 S CB 0.938 64.120 63.200 -0.029 0.000 0.935 57 S HN 0.453 nan 8.310 nan 0.000 0.551 58 L N 1.610 122.779 121.223 -0.090 0.000 2.446 58 L HA 0.547 4.887 4.340 -0.001 0.000 0.268 58 L C -1.527 175.265 176.870 -0.129 0.000 0.975 58 L CA -0.303 54.460 54.840 -0.128 0.000 0.848 58 L CB 1.608 43.559 42.059 -0.179 0.000 1.225 58 L HN 0.714 nan 8.230 nan 0.000 0.410 59 D N 3.916 124.243 120.400 -0.123 0.000 2.348 59 D HA 0.262 4.902 4.640 -0.001 0.000 0.249 59 D C 1.402 177.611 176.300 -0.153 0.000 1.110 59 D CA -0.345 53.588 54.000 -0.111 0.000 0.967 59 D CB 1.499 42.243 40.800 -0.092 0.000 1.139 59 D HN 0.526 nan 8.370 nan 0.000 0.466 60 L N 0.376 121.534 121.223 -0.109 0.000 2.079 60 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 60 L C 1.983 178.755 176.870 -0.163 0.000 1.081 60 L CA 1.168 55.944 54.840 -0.108 0.000 0.752 60 L CB -0.193 41.851 42.059 -0.024 0.000 0.896 60 L HN 0.153 nan 8.230 nan 0.000 0.433 61 K N 0.020 120.307 120.400 -0.188 0.000 2.404 61 K HA 0.072 4.391 4.320 -0.001 0.000 0.194 61 K C 0.382 176.648 176.600 -0.558 0.000 1.023 61 K CA -0.002 56.110 56.287 -0.292 0.000 1.094 61 K CB 0.117 32.506 32.500 -0.184 0.000 0.841 61 K HN 0.327 nan 8.250 nan 0.000 0.523 62 E N 1.449 121.398 120.200 -0.418 0.000 2.384 62 E HA -0.038 4.312 4.350 -0.001 0.000 0.266 62 E C -0.684 175.571 176.600 -0.575 0.000 1.012 62 E CA 0.038 56.178 56.400 -0.433 0.000 0.901 62 E CB 0.475 30.039 29.700 -0.226 0.000 0.967 62 E HN 0.116 nan 8.360 nan 0.000 0.435 63 H N 4.234 123.133 119.070 -0.285 0.000 2.457 63 H HA 0.343 4.899 4.556 -0.001 0.000 0.335 63 H C -0.284 174.923 175.328 -0.201 0.000 1.115 63 H CA -0.652 55.176 56.048 -0.366 0.000 1.219 63 H CB 0.985 30.261 29.762 -0.810 0.000 1.471 63 H HN 0.353 nan 8.280 nan 0.000 0.491 64 I N 5.264 125.805 120.570 -0.048 0.000 2.410 64 I HA 0.278 4.447 4.170 -0.001 0.000 0.286 64 I C 0.563 176.662 176.117 -0.030 0.000 1.009 64 I CA -0.464 60.815 61.300 -0.035 0.000 1.111 64 I CB 1.077 38.975 38.000 -0.171 0.000 1.262 64 I HN 0.519 nan 8.210 nan 0.000 0.443 65 I N 2.192 122.781 120.570 0.032 0.000 3.108 65 I HA 1.042 5.211 4.170 -0.001 0.000 0.312 65 I C 0.439 176.580 176.117 0.039 0.000 1.095 65 I CA -0.556 60.757 61.300 0.022 0.000 1.000 65 I CB 2.388 40.402 38.000 0.023 0.000 1.229 65 I HN 0.675 nan 8.210 nan 0.000 0.454 66 G N 2.123 110.927 108.800 0.005 0.000 2.443 66 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.209 66 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.209 66 G C 0.087 174.881 174.900 -0.176 0.000 1.176 66 G CA -0.323 44.739 45.100 -0.064 0.000 1.074 66 G HN 1.439 nan 8.290 nan 0.000 0.577 67 L N 0.043 121.122 121.223 -0.240 0.000 4.759 67 L HA -0.152 4.188 4.340 -0.001 0.000 0.419 67 L C 2.129 178.876 176.870 -0.206 0.000 1.093 67 L CA 1.587 56.224 54.840 -0.339 0.000 1.037 67 L CB -1.790 39.926 42.059 -0.572 0.000 2.095 67 L HN 2.978 nan 8.230 nan 0.000 0.739 68 G N 0.449 109.159 108.800 -0.150 0.000 2.583 68 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.292 68 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.292 68 G C 0.007 174.868 174.900 -0.065 0.000 1.203 68 G CA 0.656 45.696 45.100 -0.100 0.000 0.987 68 G HN 0.518 nan 8.290 nan 0.000 0.554 69 E N 1.532 121.707 120.200 -0.041 0.000 1.881 69 E HA 0.333 4.683 4.350 -0.001 0.000 0.264 69 E C -0.334 176.272 176.600 0.010 0.000 1.243 69 E CA -0.019 56.368 56.400 -0.023 0.000 0.965 69 E CB -0.105 29.580 29.700 -0.024 0.000 1.055 69 E HN 0.228 nan 8.360 nan 0.000 0.412 70 K N 1.699 122.133 120.400 0.056 0.000 2.378 70 K HA 0.339 4.659 4.320 -0.001 0.000 0.252 70 K C -0.594 176.169 176.600 0.273 0.000 0.931 70 K CA -0.767 55.640 56.287 0.200 0.000 0.794 70 K CB 2.007 34.620 32.500 0.189 0.000 1.181 70 K HN 0.326 nan 8.250 nan 0.000 0.425 71 A N 3.709 126.724 122.820 0.326 0.000 3.117 71 A HA 0.409 4.728 4.320 -0.001 0.000 0.255 71 A C -0.715 176.827 177.584 -0.070 0.000 1.583 71 A CA 0.096 52.185 52.037 0.087 0.000 1.234 71 A CB -0.849 18.128 19.000 -0.038 0.000 1.076 71 A HN 0.484 nan 8.150 nan 0.000 0.653 72 F N -1.535 118.548 119.950 0.222 0.000 2.692 72 F HA 0.480 5.007 4.527 -0.001 0.000 0.320 72 F C 0.148 176.092 175.800 0.240 0.000 1.123 72 F CA -1.190 57.006 58.000 0.327 0.000 0.961 72 F CB 0.952 40.188 39.000 0.394 0.000 1.383 72 F HN 0.066 nan 8.300 nan 0.000 0.483 73 E N 0.679 121.164 120.200 0.475 0.000 2.437 73 E HA 0.069 4.419 4.350 -0.001 0.000 0.263 73 E C 0.726 177.494 176.600 0.280 0.000 1.030 73 E CA 0.014 56.606 56.400 0.320 0.000 0.934 73 E CB 0.197 30.071 29.700 0.291 0.000 0.943 73 E HN 0.376 nan 8.360 nan 0.000 0.444 74 L N 1.242 122.615 121.223 0.249 0.000 2.079 74 L HA -0.123 4.217 4.340 -0.001 0.000 0.210 74 L C 0.718 177.696 176.870 0.180 0.000 1.081 74 L CA 1.608 56.601 54.840 0.255 0.000 0.752 74 L CB -0.582 41.718 42.059 0.402 0.000 0.896 74 L HN 0.556 nan 8.230 nan 0.000 0.433 75 D N -0.273 120.226 120.400 0.166 0.000 2.339 75 D HA 0.021 4.661 4.640 -0.001 0.000 0.241 75 D C 0.893 177.251 176.300 0.096 0.000 1.183 75 D CA -0.195 53.861 54.000 0.094 0.000 0.859 75 D CB 0.848 41.721 40.800 0.120 0.000 1.067 75 D HN -0.031 nan 8.370 nan 0.000 0.484 76 R N 2.869 123.388 120.500 0.031 0.000 2.323 76 R HA 0.019 4.358 4.340 -0.001 0.000 0.198 76 R C 0.470 176.830 176.300 0.101 0.000 0.988 76 R CA 0.107 56.241 56.100 0.057 0.000 1.041 76 R CB -0.356 29.830 30.300 -0.189 0.000 0.926 76 R HN 0.363 nan 8.270 nan 0.000 0.476 77 K N 1.563 121.966 120.400 0.006 0.000 2.518 77 K HA -0.033 4.287 4.320 -0.001 0.000 0.276 77 K C 0.367 176.939 176.600 -0.047 0.000 0.974 77 K CA 0.148 56.401 56.287 -0.055 0.000 0.986 77 K CB 0.368 32.802 32.500 -0.109 0.000 0.901 77 K HN -0.090 nan 8.250 nan 0.000 0.497 78 R N -0.143 120.295 120.500 -0.104 0.000 3.418 78 R HA -0.152 4.188 4.340 -0.001 0.000 0.274 78 R C -0.909 175.295 176.300 -0.159 0.000 1.108 78 R CA 0.555 56.593 56.100 -0.103 0.000 0.741 78 R CB -2.057 28.212 30.300 -0.050 0.000 1.223 78 R HN 0.642 nan 8.270 nan 0.000 0.434 79 K N 0.147 120.397 120.400 -0.251 0.000 2.562 79 K HA 0.415 4.735 4.320 -0.001 0.000 0.267 79 K C -1.223 175.033 176.600 -0.573 0.000 0.938 79 K CA -0.798 55.171 56.287 -0.531 0.000 0.840 79 K CB 1.473 33.376 32.500 -0.995 0.000 1.390 79 K HN 0.201 nan 8.250 nan 0.000 0.428 80 R N 3.815 123.987 120.500 -0.548 0.000 2.239 80 R HA 0.344 4.683 4.340 -0.001 0.000 0.332 80 R C -1.082 174.972 176.300 -0.409 0.000 0.988 80 R CA -0.389 55.508 56.100 -0.338 0.000 0.859 80 R CB 0.229 30.407 30.300 -0.203 0.000 1.148 80 R HN 0.568 nan 8.270 nan 0.000 0.482 81 Y N 2.430 122.664 120.300 -0.109 0.000 2.310 81 Y HA 0.313 4.863 4.550 -0.001 0.000 0.326 81 Y C 0.268 176.186 175.900 0.030 0.000 1.151 81 Y CA -0.662 57.395 58.100 -0.072 0.000 1.195 81 Y CB 1.671 40.086 38.460 -0.076 0.000 1.210 81 Y HN 0.148 nan 8.280 nan 0.000 0.483 82 V N 4.664 124.685 119.914 0.178 0.000 2.435 82 V HA 0.263 4.383 4.120 -0.001 0.000 0.290 82 V C -0.357 175.866 176.094 0.214 0.000 1.030 82 V CA -0.806 61.581 62.300 0.144 0.000 0.881 82 V CB 1.425 33.291 31.823 0.072 0.000 0.983 82 V HN 0.657 nan 8.190 nan 0.000 0.445 83 M N 6.245 125.992 119.600 0.246 0.000 2.289 83 M HA 0.462 4.941 4.480 -0.001 0.000 0.354 83 M C -1.431 175.077 176.300 0.346 0.000 1.210 83 M CA -0.217 55.258 55.300 0.291 0.000 1.174 83 M CB -0.066 32.754 32.600 0.366 0.000 1.297 83 M HN 0.570 nan 8.290 nan 0.000 0.423 84 Y N 2.752 123.105 120.300 0.088 0.000 2.274 84 Y HA 0.368 4.918 4.550 -0.000 0.000 0.323 84 Y C -0.712 175.207 175.900 0.032 0.000 1.171 84 Y CA -1.436 56.695 58.100 0.050 0.000 1.163 84 Y CB 0.935 39.413 38.460 0.030 0.000 1.183 84 Y HN 0.533 nan 8.280 nan 0.000 0.424 85 N N 3.194 121.814 118.700 -0.134 0.000 2.359 85 N HA 0.252 4.992 4.740 -0.001 0.000 0.261 85 N C -0.779 174.648 175.510 -0.138 0.000 1.267 85 N CA 0.417 53.400 53.050 -0.111 0.000 0.864 85 N CB 1.236 39.644 38.487 -0.131 0.000 1.063 85 N HN 0.403 nan 8.380 nan 0.000 0.474 86 V N 1.506 121.377 119.914 -0.073 0.000 3.048 86 V HA 0.166 4.286 4.120 -0.001 0.000 0.303 86 V C -1.258 174.786 176.094 -0.084 0.000 1.214 86 V CA -1.025 61.239 62.300 -0.060 0.000 0.984 86 V CB 2.416 34.237 31.823 -0.004 0.000 1.054 86 V HN 0.628 nan 8.190 nan 0.000 0.430 87 D N 4.570 124.972 120.400 0.003 0.000 2.348 87 D HA 0.283 4.923 4.640 -0.001 0.000 0.259 87 D C 0.868 177.166 176.300 -0.002 0.000 1.296 87 D CA 0.559 54.624 54.000 0.109 0.000 0.931 87 D CB 1.709 42.614 40.800 0.176 0.000 1.067 87 D HN 0.778 nan 8.370 nan 0.000 0.503 88 A N 3.478 126.130 122.820 -0.281 0.000 2.209 88 A HA 0.325 4.644 4.320 -0.001 0.000 0.212 88 A C 1.467 179.110 177.584 0.098 0.000 1.158 88 A CA 0.927 52.858 52.037 -0.177 0.000 0.742 88 A CB -0.593 18.137 19.000 -0.451 0.000 0.790 88 A HN 0.888 nan 8.150 nan 0.000 0.472 89 G N -0.801 108.127 108.800 0.213 0.000 2.566 89 G HA2 0.063 4.023 3.960 -0.001 0.000 0.280 89 G HA3 0.063 4.023 3.960 -0.001 0.000 0.280 89 G C 0.575 175.644 174.900 0.282 0.000 1.225 89 G CA 0.173 45.427 45.100 0.257 0.000 0.966 89 G HN 1.711 nan 8.290 nan 0.000 0.560 90 A N 0.674 123.604 122.820 0.182 0.000 3.037 90 A HA 0.605 4.925 4.320 -0.001 0.000 0.272 90 A C 0.369 177.972 177.584 0.032 0.000 1.723 90 A CA 0.594 52.697 52.037 0.109 0.000 1.413 90 A CB -1.301 17.718 19.000 0.031 0.000 1.112 90 A HN 1.853 nan 8.150 nan 0.000 0.606 91 Y N -0.285 120.080 120.300 0.109 0.000 2.578 91 Y HA 0.461 5.011 4.550 -0.001 0.000 0.339 91 Y C 0.215 176.151 175.900 0.061 0.000 1.231 91 Y CA -0.374 57.758 58.100 0.053 0.000 1.461 91 Y CB 0.479 38.948 38.460 0.016 0.000 1.323 91 Y HN 0.414 nan 8.280 nan 0.000 0.590 92 K N 2.377 122.897 120.400 0.200 0.000 2.313 92 K HA 0.363 4.683 4.320 -0.001 0.000 0.235 92 K C -0.889 175.763 176.600 0.087 0.000 1.035 92 K CA -1.454 54.893 56.287 0.100 0.000 0.868 92 K CB 1.577 34.104 32.500 0.046 0.000 1.232 92 K HN 0.758 nan 8.250 nan 0.000 0.459 93 K N 0.229 120.587 120.400 -0.070 0.000 2.258 93 K HA 0.038 4.358 4.320 -0.001 0.000 0.264 93 K C -0.763 175.615 176.600 -0.370 0.000 1.007 93 K CA -0.129 55.972 56.287 -0.310 0.000 0.941 93 K CB 0.220 32.375 32.500 -0.574 0.000 0.966 93 K HN 0.580 nan 8.250 nan 0.000 0.480 94 Y N -2.531 117.467 120.300 -0.504 0.000 4.907 94 Y HA -0.275 4.274 4.550 -0.000 0.000 0.246 94 Y C -0.045 175.711 175.900 -0.241 0.000 0.968 94 Y CA 1.072 58.657 58.100 -0.857 0.000 1.961 94 Y CB -2.418 35.773 38.460 -0.449 0.000 1.487 94 Y HN 0.834 nan 8.280 nan 0.000 0.575 95 Q N 1.210 121.042 119.800 0.052 0.000 2.261 95 Q HA 0.473 4.813 4.340 -0.001 0.000 0.252 95 Q C -0.651 175.497 176.000 0.246 0.000 0.915 95 Q CA -0.224 55.673 55.803 0.155 0.000 0.915 95 Q CB 1.243 30.054 28.738 0.122 0.000 1.204 95 Q HN 0.299 nan 8.270 nan 0.000 0.421 96 D N 3.280 123.824 120.400 0.240 0.000 2.837 96 D HA 0.444 5.083 4.640 -0.001 0.000 0.220 96 D C -2.549 173.828 176.300 0.128 0.000 1.236 96 D CA -1.160 52.977 54.000 0.228 0.000 0.838 96 D CB 1.698 42.683 40.800 0.309 0.000 1.647 96 D HN 0.351 nan 8.370 nan 0.000 0.486 97 P HA 0.473 nan 4.420 nan 0.000 0.297 97 P C -0.632 176.658 177.300 -0.016 0.000 1.307 97 P CA -0.604 62.552 63.100 0.092 0.000 0.773 97 P CB 1.452 33.226 31.700 0.123 0.000 1.265 98 L N -1.899 119.279 121.223 -0.075 0.000 2.535 98 L HA 0.322 4.662 4.340 -0.001 0.000 0.259 98 L C 2.023 178.741 176.870 -0.253 0.000 1.263 98 L CA -0.763 53.898 54.840 -0.298 0.000 1.282 98 L CB -0.238 41.633 42.059 -0.314 0.000 1.901 98 L HN 0.256 nan 8.230 nan 0.000 0.572 99 Y N -0.510 119.719 120.300 -0.118 0.000 2.314 99 Y HA 0.042 4.592 4.550 -0.000 0.000 0.293 99 Y C 0.706 176.555 175.900 -0.084 0.000 1.129 99 Y CA 0.150 58.180 58.100 -0.117 0.000 1.201 99 Y CB -0.315 38.034 38.460 -0.184 0.000 0.999 99 Y HN -0.024 nan 8.280 nan 0.000 0.541 100 V N -0.291 119.680 119.914 0.095 0.000 2.581 100 V HA 0.408 4.528 4.120 -0.001 0.000 0.303 100 V C -0.285 175.858 176.094 0.080 0.000 1.041 100 V CA -1.009 61.333 62.300 0.070 0.000 0.907 100 V CB 1.863 33.706 31.823 0.034 0.000 0.994 100 V HN -0.039 nan 8.190 nan 0.000 0.442 101 S N 5.208 120.987 115.700 0.133 0.000 2.718 101 S HA 0.553 5.022 4.470 -0.001 0.000 0.294 101 S C -0.617 174.100 174.600 0.196 0.000 1.157 101 S CA -0.371 57.942 58.200 0.188 0.000 1.121 101 S CB 0.496 63.856 63.200 0.267 0.000 1.015 101 S HN 0.461 nan 8.310 nan 0.000 0.479 102 I N 4.310 124.927 120.570 0.077 0.000 2.388 102 I HA 0.323 4.493 4.170 -0.001 0.000 0.281 102 I C -2.499 173.655 176.117 0.061 0.000 1.046 102 I CA -2.795 58.504 61.300 -0.002 0.000 1.187 102 I CB 0.732 38.672 38.000 -0.101 0.000 1.351 102 I HN 0.198 nan 8.210 nan 0.000 0.472 103 P HA 0.129 nan 4.420 nan 0.000 0.238 103 P C -0.407 177.208 177.300 0.525 0.000 1.714 103 P CA 0.101 63.497 63.100 0.494 0.000 0.908 103 P CB -0.121 32.011 31.700 0.719 0.000 1.893 104 L N 1.614 122.916 121.223 0.132 0.000 2.410 104 L HA 0.751 5.091 4.340 -0.001 0.000 0.270 104 L C -1.179 175.663 176.870 -0.047 0.000 0.983 104 L CA -1.179 53.693 54.840 0.054 0.000 0.822 104 L CB 1.110 42.982 42.059 -0.312 0.000 1.285 104 L HN -0.045 nan 8.230 nan 0.000 0.409 105 F N 3.975 123.915 119.950 -0.017 0.000 2.599 105 F HA 0.836 5.362 4.527 -0.001 0.000 0.311 105 F C -1.523 174.332 175.800 0.091 0.000 1.076 105 F CA -1.316 56.647 58.000 -0.063 0.000 0.937 105 F CB 1.151 40.068 39.000 -0.139 0.000 1.282 105 F HN 0.301 nan 8.300 nan 0.000 0.460 106 I N 2.486 123.228 120.570 0.288 0.000 2.433 106 I HA 0.407 4.577 4.170 -0.001 0.000 0.292 106 I C -0.489 175.834 176.117 0.344 0.000 1.001 106 I CA -0.876 60.550 61.300 0.210 0.000 1.119 106 I CB 2.093 40.148 38.000 0.092 0.000 1.289 106 I HN 0.790 nan 8.210 nan 0.000 0.438 107 S N 5.609 121.528 115.700 0.365 0.000 2.462 107 S HA 0.613 5.083 4.470 -0.001 0.000 0.294 107 S C -0.759 173.943 174.600 0.170 0.000 1.144 107 S CA -0.477 57.902 58.200 0.299 0.000 1.088 107 S CB 1.084 64.521 63.200 0.395 0.000 1.009 107 S HN 0.336 nan 8.310 nan 0.000 0.484 108 V N 6.048 126.021 119.914 0.097 0.000 2.326 108 V HA 0.500 4.620 4.120 -0.001 0.000 0.281 108 V C -0.104 175.998 176.094 0.014 0.000 1.015 108 V CA -0.668 61.680 62.300 0.081 0.000 0.823 108 V CB 1.025 32.922 31.823 0.124 0.000 1.009 108 V HN 0.865 nan 8.190 nan 0.000 0.436 109 K N 3.393 123.807 120.400 0.024 0.000 2.376 109 K HA 0.412 4.731 4.320 -0.001 0.000 0.257 109 K C -0.374 176.232 176.600 0.009 0.000 0.939 109 K CA -0.486 55.791 56.287 -0.017 0.000 0.809 109 K CB 1.036 33.534 32.500 -0.003 0.000 1.121 109 K HN 0.678 nan 8.250 nan 0.000 0.425 110 D N 3.428 123.826 120.400 -0.004 0.000 2.772 110 D HA -0.196 4.444 4.640 -0.001 0.000 0.233 110 D C 0.642 176.970 176.300 0.046 0.000 1.143 110 D CA 1.642 55.654 54.000 0.020 0.000 0.700 110 D CB -1.151 39.658 40.800 0.016 0.000 1.076 110 D HN 1.098 nan 8.370 nan 0.000 0.430 111 G N -2.004 106.840 108.800 0.072 0.000 2.212 111 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.266 111 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.266 111 G C 0.407 175.353 174.900 0.077 0.000 0.978 111 G CA 0.417 45.576 45.100 0.097 0.000 0.632 111 G HN 0.605 nan 8.290 nan 0.000 0.537 112 V N 1.212 121.162 119.914 0.059 0.000 2.407 112 V HA 0.752 4.872 4.120 -0.001 0.000 0.278 112 V C 0.706 176.834 176.094 0.057 0.000 1.037 112 V CA -0.224 62.104 62.300 0.047 0.000 0.900 112 V CB 1.450 33.296 31.823 0.038 0.000 0.983 112 V HN 1.029 nan 8.190 nan 0.000 0.459 113 A N 3.967 126.814 122.820 0.044 0.000 2.301 113 A HA 0.826 5.146 4.320 -0.001 0.000 0.312 113 A C 0.090 177.690 177.584 0.027 0.000 1.182 113 A CA -0.329 51.737 52.037 0.049 0.000 0.826 113 A CB 0.761 19.778 19.000 0.029 0.000 1.134 113 A HN 0.778 nan 8.150 nan 0.000 0.501 114 T N 1.229 115.809 114.554 0.043 0.000 2.971 114 T HA 0.617 4.967 4.350 -0.001 0.000 0.304 114 T C 0.131 174.755 174.700 -0.127 0.000 1.038 114 T CA -0.058 62.014 62.100 -0.046 0.000 1.007 114 T CB 1.785 70.650 68.868 -0.004 0.000 1.055 114 T HN 1.069 nan 8.240 nan 0.000 0.451 115 G N 1.137 109.764 108.800 -0.288 0.000 2.410 115 G HA2 0.636 4.596 3.960 -0.001 0.000 0.330 115 G HA3 0.636 4.596 3.960 -0.001 0.000 0.330 115 G C -1.701 172.806 174.900 -0.655 0.000 1.142 115 G CA -0.502 44.409 45.100 -0.314 0.000 0.902 115 G HN 0.626 nan 8.290 nan 0.000 0.491 116 Y N 0.538 120.623 120.300 -0.358 0.000 2.327 116 Y HA 0.404 4.954 4.550 -0.001 0.000 0.325 116 Y C -0.933 174.895 175.900 -0.121 0.000 0.999 116 Y CA -0.988 56.899 58.100 -0.355 0.000 1.195 116 Y CB 2.039 40.069 38.460 -0.717 0.000 1.132 116 Y HN 0.500 nan 8.280 nan 0.000 0.455 117 F N 5.156 125.070 119.950 -0.060 0.000 2.427 117 F HA 0.630 5.156 4.527 -0.000 0.000 0.348 117 F C -1.793 174.104 175.800 0.160 0.000 1.125 117 F CA -2.346 55.729 58.000 0.125 0.000 0.989 117 F CB 0.359 39.452 39.000 0.155 0.000 1.165 117 F HN 0.226 nan 8.300 nan 0.000 0.442 118 F N 4.867 124.887 119.950 0.117 0.000 2.350 118 F HA 0.258 4.784 4.527 -0.001 0.000 0.365 118 F C 0.726 176.404 175.800 -0.203 0.000 1.122 118 F CA -0.765 57.250 58.000 0.025 0.000 1.139 118 F CB 0.487 39.573 39.000 0.143 0.000 1.220 118 F HN 0.447 nan 8.300 nan 0.000 0.499 119 N N 2.586 121.141 118.700 -0.243 0.000 3.050 119 N HA 0.046 4.786 4.740 -0.001 0.000 0.289 119 N C -0.880 174.792 175.510 0.270 0.000 1.209 119 N CA 0.157 53.196 53.050 -0.019 0.000 1.154 119 N CB 0.101 38.659 38.487 0.118 0.000 1.444 119 N HN 0.413 nan 8.380 nan 0.000 0.529 120 S N 0.539 116.462 115.700 0.372 0.000 2.571 120 S HA 0.672 5.142 4.470 -0.001 0.000 0.284 120 S C 0.070 174.848 174.600 0.297 0.000 1.128 120 S CA -0.632 57.731 58.200 0.271 0.000 0.970 120 S CB 1.091 64.415 63.200 0.207 0.000 1.039 120 S HN 0.374 nan 8.310 nan 0.000 0.485 121 A N 3.216 126.066 122.820 0.050 0.000 2.415 121 A HA 0.468 4.787 4.320 -0.001 0.000 0.248 121 A C 0.971 178.561 177.584 0.009 0.000 1.299 121 A CA 0.091 52.038 52.037 -0.150 0.000 0.899 121 A CB -0.646 18.043 19.000 -0.518 0.000 0.997 121 A HN 1.010 nan 8.150 nan 0.000 0.506 122 S N -0.563 115.192 115.700 0.092 0.000 2.646 122 S HA 0.322 4.792 4.470 -0.001 0.000 0.273 122 S C 0.349 175.070 174.600 0.203 0.000 1.168 122 S CA -0.514 57.760 58.200 0.123 0.000 1.013 122 S CB 0.386 63.626 63.200 0.068 0.000 1.098 122 S HN 0.254 nan 8.310 nan 0.000 0.544 123 K N 1.269 121.758 120.400 0.149 0.000 2.243 123 K HA 0.279 4.599 4.320 -0.001 0.000 0.232 123 K C -0.909 175.693 176.600 0.004 0.000 1.237 123 K CA -0.308 56.012 56.287 0.055 0.000 1.161 123 K CB -0.961 31.352 32.500 -0.313 0.000 1.505 123 K HN 0.442 nan 8.250 nan 0.000 0.271 124 V N 4.594 124.547 119.914 0.065 0.000 2.637 124 V HA 0.049 4.168 4.120 -0.001 0.000 0.296 124 V C 0.488 176.524 176.094 -0.097 0.000 1.046 124 V CA -0.237 62.026 62.300 -0.061 0.000 1.066 124 V CB 0.814 32.624 31.823 -0.022 0.000 0.968 124 V HN 0.456 nan 8.190 nan 0.000 0.483 125 I N 5.173 125.583 120.570 -0.267 0.000 2.362 125 I HA 0.408 4.578 4.170 -0.001 0.000 0.289 125 I C -0.488 175.394 176.117 -0.392 0.000 0.994 125 I CA -0.424 60.756 61.300 -0.200 0.000 1.158 125 I CB 1.134 39.033 38.000 -0.168 0.000 1.315 125 I HN 0.419 nan 8.210 nan 0.000 0.451 126 F N 4.181 124.091 119.950 -0.067 0.000 2.308 126 F HA 0.245 4.772 4.527 -0.000 0.000 0.370 126 F C 0.727 176.483 175.800 -0.073 0.000 1.100 126 F CA -0.591 57.350 58.000 -0.099 0.000 1.108 126 F CB 0.817 39.779 39.000 -0.063 0.000 1.293 126 F HN 0.362 nan 8.300 nan 0.000 0.478 127 D N 4.226 124.599 120.400 -0.045 0.000 2.456 127 D HA 0.169 4.809 4.640 -0.001 0.000 0.219 127 D C -0.644 175.596 176.300 -0.100 0.000 1.126 127 D CA -0.031 53.920 54.000 -0.081 0.000 0.890 127 D CB 1.184 41.914 40.800 -0.117 0.000 1.025 127 D HN 0.161 nan 8.370 nan 0.000 0.511 128 V N 3.514 123.382 119.914 -0.076 0.000 2.299 128 V HA 0.308 4.428 4.120 -0.001 0.000 0.255 128 V C 1.503 177.505 176.094 -0.153 0.000 1.100 128 V CA -0.126 62.094 62.300 -0.132 0.000 0.938 128 V CB 0.470 32.244 31.823 -0.081 0.000 1.139 128 V HN 0.798 nan 8.190 nan 0.000 0.490 129 G N 3.738 112.436 108.800 -0.170 0.000 2.249 129 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.273 129 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.273 129 G C 0.570 175.395 174.900 -0.125 0.000 1.036 129 G CA 0.720 45.706 45.100 -0.189 0.000 0.824 129 G HN 0.561 nan 8.290 nan 0.000 0.504 130 L N -0.785 120.379 121.223 -0.099 0.000 2.356 130 L HA 0.308 4.648 4.340 -0.001 0.000 0.193 130 L C 2.419 179.264 176.870 -0.041 0.000 1.087 130 L CA 1.669 56.467 54.840 -0.072 0.000 0.817 130 L CB -0.401 41.587 42.059 -0.118 0.000 1.035 130 L HN 0.461 nan 8.230 nan 0.000 0.482 131 E N 0.214 120.378 120.200 -0.060 0.000 2.051 131 E HA -0.212 4.138 4.350 -0.001 0.000 0.192 131 E C -0.163 176.423 176.600 -0.023 0.000 0.991 131 E CA 0.995 57.366 56.400 -0.047 0.000 0.799 131 E CB 0.378 30.040 29.700 -0.064 0.000 0.748 131 E HN 0.178 nan 8.360 nan 0.000 0.449 132 E N -0.957 119.229 120.200 -0.023 0.000 2.220 132 E HA 0.094 4.444 4.350 -0.001 0.000 0.256 132 E C -0.628 175.989 176.600 0.029 0.000 0.881 132 E CA -0.436 55.968 56.400 0.006 0.000 0.766 132 E CB 0.728 30.416 29.700 -0.019 0.000 1.187 132 E HN 0.144 nan 8.360 nan 0.000 0.419 133 Y N 3.193 123.457 120.300 -0.060 0.000 2.228 133 Y HA -0.240 4.309 4.550 -0.001 0.000 0.285 133 Y C 1.144 177.007 175.900 -0.062 0.000 1.178 133 Y CA 2.459 60.523 58.100 -0.059 0.000 1.202 133 Y CB 0.490 38.920 38.460 -0.049 0.000 0.974 133 Y HN 0.527 nan 8.280 nan 0.000 0.527 134 D N -0.929 119.494 120.400 0.038 0.000 2.525 134 D HA 0.168 4.808 4.640 -0.001 0.000 0.229 134 D C -0.416 175.842 176.300 -0.070 0.000 1.202 134 D CA -0.030 53.949 54.000 -0.035 0.000 0.828 134 D CB -0.122 40.699 40.800 0.036 0.000 1.008 134 D HN 0.225 nan 8.370 nan 0.000 0.493 135 K N -0.598 119.746 120.400 -0.095 0.000 2.532 135 K HA 0.504 4.824 4.320 -0.001 0.000 0.265 135 K C -1.528 174.992 176.600 -0.134 0.000 0.948 135 K CA -0.933 55.295 56.287 -0.099 0.000 0.842 135 K CB 3.198 35.656 32.500 -0.070 0.000 1.392 135 K HN -0.204 nan 8.250 nan 0.000 0.436 136 V N 3.700 123.527 119.914 -0.144 0.000 2.357 136 V HA 0.438 4.557 4.120 -0.001 0.000 0.284 136 V C -0.564 175.438 176.094 -0.154 0.000 1.018 136 V CA -0.624 61.563 62.300 -0.188 0.000 0.841 136 V CB 0.931 32.594 31.823 -0.265 0.000 0.991 136 V HN 0.563 nan 8.190 nan 0.000 0.437 137 I N 5.579 126.053 120.570 -0.161 0.000 2.355 137 I HA 0.457 4.627 4.170 -0.001 0.000 0.288 137 I C -0.527 175.438 176.117 -0.254 0.000 0.999 137 I CA -0.736 60.461 61.300 -0.171 0.000 1.163 137 I CB 1.951 39.868 38.000 -0.138 0.000 1.316 137 I HN 0.251 nan 8.210 nan 0.000 0.454 138 V N 5.163 124.868 119.914 -0.348 0.000 2.398 138 V HA 0.387 4.506 4.120 -0.001 0.000 0.286 138 V C 0.098 175.889 176.094 -0.505 0.000 1.026 138 V CA -0.339 61.586 62.300 -0.625 0.000 0.868 138 V CB 1.690 32.882 31.823 -1.053 0.000 0.982 138 V HN 0.708 nan 8.190 nan 0.000 0.443 139 T N 6.378 120.651 114.554 -0.467 0.000 2.772 139 T HA 0.648 4.998 4.350 -0.001 0.000 0.288 139 T C -0.422 174.102 174.700 -0.294 0.000 0.994 139 T CA -0.152 61.765 62.100 -0.305 0.000 0.951 139 T CB 0.880 69.619 68.868 -0.214 0.000 0.933 139 T HN 0.320 nan 8.240 nan 0.000 0.447 140 I N 6.142 126.587 120.570 -0.209 0.000 2.330 140 I HA 0.305 4.475 4.170 -0.001 0.000 0.289 140 I C -1.843 174.232 176.117 -0.071 0.000 1.001 140 I CA -2.500 58.725 61.300 -0.124 0.000 1.193 140 I CB 1.554 39.527 38.000 -0.046 0.000 1.345 140 I HN 0.329 nan 8.210 nan 0.000 0.461 141 P HA 0.125 nan 4.420 nan 0.000 0.225 141 P C -0.697 176.590 177.300 -0.021 0.000 1.768 141 P CA 0.189 63.260 63.100 -0.048 0.000 0.943 141 P CB -0.089 31.574 31.700 -0.062 0.000 1.936 142 E N 0.255 120.450 120.200 -0.007 0.000 2.390 142 E HA 0.091 4.441 4.350 -0.001 0.000 0.277 142 E C -0.131 176.478 176.600 0.014 0.000 0.939 142 E CA -0.582 55.825 56.400 0.011 0.000 0.769 142 E CB 1.281 31.004 29.700 0.037 0.000 1.251 142 E HN -0.032 nan 8.360 nan 0.000 0.450 143 D N -0.378 120.031 120.400 0.015 0.000 2.347 143 D HA -0.009 4.631 4.640 -0.001 0.000 0.215 143 D C 0.145 176.467 176.300 0.036 0.000 0.976 143 D CA 0.473 54.483 54.000 0.017 0.000 0.884 143 D CB 0.338 41.143 40.800 0.008 0.000 0.915 143 D HN 0.062 nan 8.370 nan 0.000 0.526 144 S N -1.342 114.390 115.700 0.053 0.000 2.595 144 S HA 0.706 5.176 4.470 -0.001 0.000 0.281 144 S C -1.389 173.270 174.600 0.099 0.000 1.117 144 S CA -0.785 57.460 58.200 0.074 0.000 0.873 144 S CB 2.623 65.867 63.200 0.073 0.000 1.108 144 S HN 0.067 nan 8.310 nan 0.000 0.477 145 V N 1.757 121.744 119.914 0.121 0.000 3.177 145 V HA 0.537 4.657 4.120 -0.001 0.000 0.287 145 V C -2.110 174.073 176.094 0.148 0.000 1.465 145 V CA -0.788 61.605 62.300 0.157 0.000 1.020 145 V CB 2.196 34.147 31.823 0.214 0.000 1.152 145 V HN 1.049 nan 8.190 nan 0.000 0.448 146 E N 4.621 124.889 120.200 0.112 0.000 2.210 146 E HA 0.755 5.104 4.350 -0.001 0.000 0.266 146 E C -1.308 175.267 176.600 -0.043 0.000 0.883 146 E CA -0.603 55.769 56.400 -0.046 0.000 0.761 146 E CB 2.122 31.762 29.700 -0.100 0.000 1.156 146 E HN 0.731 nan 8.360 nan 0.000 0.412 147 F N 0.389 120.121 119.950 -0.364 0.000 2.650 147 F HA 0.703 5.230 4.527 -0.001 0.000 0.320 147 F C -1.713 173.744 175.800 -0.572 0.000 1.091 147 F CA -1.390 56.331 58.000 -0.465 0.000 0.962 147 F CB 1.203 39.791 39.000 -0.686 0.000 1.363 147 F HN 0.305 nan 8.300 nan 0.000 0.482 148 Y N 0.681 120.943 120.300 -0.063 0.000 2.425 148 Y HA 0.628 5.178 4.550 -0.000 0.000 0.344 148 Y C -0.770 175.119 175.900 -0.018 0.000 0.969 148 Y CA -1.588 56.494 58.100 -0.031 0.000 1.052 148 Y CB 2.062 40.574 38.460 0.088 0.000 1.215 148 Y HN 0.550 nan 8.280 nan 0.000 0.451 149 V N 5.365 125.333 119.914 0.089 0.000 2.333 149 V HA 0.352 4.471 4.120 -0.001 0.000 0.274 149 V C -0.114 175.973 176.094 -0.011 0.000 1.028 149 V CA -0.613 61.622 62.300 -0.108 0.000 0.851 149 V CB 0.559 32.347 31.823 -0.059 0.000 1.000 149 V HN 0.590 nan 8.190 nan 0.000 0.456 150 I N 4.711 125.196 120.570 -0.142 0.000 2.330 150 I HA 0.350 4.520 4.170 -0.001 0.000 0.286 150 I C 0.372 176.441 176.117 -0.079 0.000 1.025 150 I CA -0.617 60.647 61.300 -0.059 0.000 1.197 150 I CB 1.001 38.971 38.000 -0.048 0.000 1.358 150 I HN 0.487 nan 8.210 nan 0.000 0.467 151 E N 4.129 124.325 120.200 -0.008 0.000 2.415 151 E HA 0.131 4.481 4.350 -0.001 0.000 0.262 151 E C 0.605 177.192 176.600 -0.022 0.000 1.038 151 E CA 0.091 56.492 56.400 0.002 0.000 0.921 151 E CB 1.204 30.935 29.700 0.051 0.000 0.950 151 E HN 0.759 nan 8.360 nan 0.000 0.438 152 G N 2.386 111.176 108.800 -0.017 0.000 3.226 152 G HA2 0.039 3.999 3.960 -0.001 0.000 0.190 152 G HA3 0.039 3.999 3.960 -0.001 0.000 0.190 152 G C -1.392 173.495 174.900 -0.023 0.000 1.988 152 G CA -0.048 45.036 45.100 -0.026 0.000 0.859 152 G HN 0.438 nan 8.290 nan 0.000 0.631 153 P HA 0.097 nan 4.420 nan 0.000 0.227 153 P C 0.438 177.721 177.300 -0.028 0.000 1.161 153 P CA 0.313 63.406 63.100 -0.012 0.000 0.788 153 P CB 0.415 32.114 31.700 -0.003 0.000 0.822 154 R N -0.280 120.184 120.500 -0.061 0.000 2.531 154 R HA 0.327 4.667 4.340 -0.001 0.000 0.273 154 R C 1.775 177.992 176.300 -0.139 0.000 1.070 154 R CA -0.565 55.469 56.100 -0.110 0.000 1.112 154 R CB 0.820 31.026 30.300 -0.157 0.000 1.049 154 R HN -0.014 nan 8.270 nan 0.000 0.508 155 I N 1.184 121.636 120.570 -0.196 0.000 2.286 155 I HA -0.295 3.875 4.170 -0.001 0.000 0.248 155 I C 2.360 178.320 176.117 -0.262 0.000 1.115 155 I CA 1.436 62.621 61.300 -0.191 0.000 1.392 155 I CB -0.199 37.683 38.000 -0.197 0.000 1.065 155 I HN 0.740 nan 8.210 nan 0.000 0.418 156 E N 0.977 120.901 120.200 -0.459 0.000 2.153 156 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 156 E C 1.588 178.116 176.600 -0.120 0.000 0.988 156 E CA 1.273 57.474 56.400 -0.331 0.000 0.811 156 E CB 0.128 29.554 29.700 -0.456 0.000 0.746 156 E HN 0.426 nan 8.360 nan 0.000 0.466 157 D N -0.045 120.286 120.400 -0.115 0.000 2.117 157 D HA -0.138 4.502 4.640 -0.001 0.000 0.198 157 D C 2.067 178.345 176.300 -0.036 0.000 0.982 157 D CA 0.987 54.954 54.000 -0.054 0.000 0.828 157 D CB -0.124 40.644 40.800 -0.054 0.000 0.967 157 D HN 0.125 nan 8.370 nan 0.000 0.464 158 V N 1.452 121.337 119.914 -0.048 0.000 2.295 158 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 158 V C 2.699 178.787 176.094 -0.009 0.000 1.049 158 V CA 1.185 63.461 62.300 -0.040 0.000 1.024 158 V CB -0.490 31.298 31.823 -0.057 0.000 0.648 158 V HN 0.192 nan 8.190 nan 0.000 0.447 159 L N -0.465 120.762 121.223 0.007 0.000 2.083 159 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 159 L C 2.599 179.509 176.870 0.067 0.000 1.083 159 L CA 1.517 56.392 54.840 0.058 0.000 0.752 159 L CB -0.603 41.514 42.059 0.096 0.000 0.899 159 L HN 0.427 nan 8.230 nan 0.000 0.433 160 E N 0.278 120.512 120.200 0.056 0.000 2.051 160 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 160 E C 2.190 178.762 176.600 -0.047 0.000 0.991 160 E CA 1.158 57.574 56.400 0.026 0.000 0.799 160 E CB 0.001 29.734 29.700 0.055 0.000 0.748 160 E HN 0.441 nan 8.360 nan 0.000 0.449 161 K N 0.204 120.578 120.400 -0.043 0.000 2.057 161 K HA -0.190 4.130 4.320 -0.001 0.000 0.207 161 K C 2.203 178.720 176.600 -0.138 0.000 1.049 161 K CA 1.315 57.552 56.287 -0.083 0.000 0.931 161 K CB -0.325 32.139 32.500 -0.060 0.000 0.714 161 K HN 0.163 nan 8.250 nan 0.000 0.440 162 Y N 2.232 122.394 120.300 -0.230 0.000 2.181 162 Y HA -0.238 4.312 4.550 -0.001 0.000 0.288 162 Y C 2.191 177.848 175.900 -0.406 0.000 1.146 162 Y CA 1.754 59.644 58.100 -0.350 0.000 1.164 162 Y CB -0.475 37.779 38.460 -0.343 0.000 0.982 162 Y HN -0.055 nan 8.280 nan 0.000 0.515 163 T N -0.064 114.271 114.554 -0.364 0.000 2.821 163 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 163 T C 1.602 176.046 174.700 -0.427 0.000 1.046 163 T CA 1.526 63.365 62.100 -0.434 0.000 1.139 163 T CB -0.252 68.483 68.868 -0.222 0.000 0.871 163 T HN 0.416 nan 8.240 nan 0.000 0.454 164 E N 1.001 121.011 120.200 -0.317 0.000 2.110 164 E HA -0.062 4.288 4.350 -0.001 0.000 0.193 164 E C 2.023 178.428 176.600 -0.325 0.000 0.988 164 E CA 0.826 57.069 56.400 -0.261 0.000 0.804 164 E CB -0.471 29.119 29.700 -0.184 0.000 0.745 164 E HN 0.366 nan 8.360 nan 0.000 0.458 165 L N 0.258 121.210 121.223 -0.452 0.000 2.023 165 L HA -0.101 4.238 4.340 -0.001 0.000 0.205 165 L C 2.235 178.642 176.870 -0.772 0.000 1.073 165 L CA 2.215 56.727 54.840 -0.548 0.000 0.745 165 L CB -0.774 40.890 42.059 -0.659 0.000 0.900 165 L HN 0.460 nan 8.230 nan 0.000 0.435 166 T N -3.162 110.724 114.554 -1.114 0.000 3.065 166 T HA 0.337 4.686 4.350 -0.001 0.000 0.252 166 T C 0.746 175.081 174.700 -0.609 0.000 1.099 166 T CA 0.353 61.706 62.100 -1.245 0.000 1.063 166 T CB 0.316 68.228 68.868 -1.593 0.000 0.948 166 T HN 0.553 nan 8.240 nan 0.000 0.506 167 G N 1.320 109.813 108.800 -0.511 0.000 2.931 167 G HA2 0.145 4.105 3.960 -0.001 0.000 0.675 167 G HA3 0.145 4.105 3.960 -0.001 0.000 0.675 167 G C -1.178 173.512 174.900 -0.351 0.000 1.339 167 G CA -1.214 43.669 45.100 -0.362 0.000 0.866 167 G HN 0.248 nan 8.290 nan 0.000 0.616 168 K N 1.694 121.933 120.400 -0.267 0.000 2.326 168 K HA 0.365 4.685 4.320 -0.001 0.000 0.275 168 K C -2.209 174.264 176.600 -0.211 0.000 1.018 168 K CA -1.474 54.677 56.287 -0.227 0.000 0.962 168 K CB 1.009 33.410 32.500 -0.164 0.000 0.953 168 K HN 0.256 nan 8.250 nan 0.000 0.475 169 P HA -0.031 nan 4.420 nan 0.000 0.268 169 P C -0.293 177.015 177.300 0.013 0.000 1.204 169 P CA -0.125 62.871 63.100 -0.173 0.000 0.768 169 P CB 0.150 31.604 31.700 -0.409 0.000 0.842 170 F N 2.917 122.858 119.950 -0.015 0.000 2.490 170 F HA 0.352 4.878 4.527 -0.001 0.000 0.336 170 F C -0.244 175.708 175.800 0.253 0.000 1.178 170 F CA -1.237 56.831 58.000 0.114 0.000 1.301 170 F CB -0.197 38.930 39.000 0.212 0.000 1.175 170 F HN 0.076 nan 8.300 nan 0.000 0.593 171 L N 5.631 126.908 121.223 0.091 0.000 2.259 171 L HA 0.517 4.856 4.340 -0.001 0.000 0.288 171 L C -2.373 174.478 176.870 -0.032 0.000 1.051 171 L CA -2.349 52.463 54.840 -0.047 0.000 0.824 171 L CB 0.041 42.118 42.059 0.030 0.000 1.206 171 L HN 0.557 nan 8.230 nan 0.000 0.429 172 P HA 0.418 nan 4.420 nan 0.000 0.278 172 P C -2.899 174.496 177.300 0.158 0.000 1.266 172 P CA -1.710 61.393 63.100 0.005 0.000 0.807 172 P CB 0.233 31.886 31.700 -0.079 0.000 1.094 173 P HA 0.122 nan 4.420 nan 0.000 0.274 173 P C 1.039 178.156 177.300 -0.305 0.000 1.246 173 P CA -0.268 62.702 63.100 -0.217 0.000 0.795 173 P CB 0.828 32.176 31.700 -0.587 0.000 1.006 174 M N 1.882 121.138 119.600 -0.573 0.000 2.213 174 M HA -0.086 4.394 4.480 -0.001 0.000 0.263 174 M C 1.798 178.016 176.300 -0.137 0.000 1.062 174 M CA 1.778 56.595 55.300 -0.806 0.000 1.105 174 M CB -0.473 31.504 32.600 -1.038 0.000 1.385 174 M HN 0.468 nan 8.290 nan 0.000 0.417 175 W N -0.033 121.244 121.300 -0.039 0.000 2.468 175 W HA -0.015 4.645 4.660 -0.001 0.000 0.262 175 W C 1.500 178.023 176.519 0.008 0.000 1.241 175 W CA 0.702 58.059 57.345 0.020 0.000 1.232 175 W CB -1.211 28.244 29.460 -0.007 0.000 1.124 175 W HN 0.325 nan 8.180 nan 0.000 0.597 176 A N 0.644 123.251 122.820 -0.354 0.000 2.121 176 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 176 A C 1.286 178.707 177.584 -0.271 0.000 1.154 176 A CA 0.850 52.569 52.037 -0.529 0.000 0.679 176 A CB -1.149 17.420 19.000 -0.717 0.000 0.795 176 A HN 0.289 nan 8.150 nan 0.000 0.458 177 F N -0.375 119.620 119.950 0.075 0.000 2.664 177 F HA 0.316 4.843 4.527 -0.001 0.000 0.303 177 F C 1.620 177.476 175.800 0.093 0.000 1.092 177 F CA -0.351 57.751 58.000 0.169 0.000 1.305 177 F CB -0.249 38.830 39.000 0.132 0.000 1.054 177 F HN 0.181 nan 8.300 nan 0.000 0.565 178 G N -1.012 107.942 108.800 0.257 0.000 2.563 178 G HA2 0.057 4.016 3.960 -0.001 0.000 0.283 178 G HA3 0.057 4.016 3.960 -0.001 0.000 0.283 178 G C -1.358 173.704 174.900 0.270 0.000 1.309 178 G CA -0.335 44.896 45.100 0.218 0.000 1.022 178 G HN 0.097 nan 8.290 nan 0.000 0.501 179 Y N 1.135 121.563 120.300 0.212 0.000 2.480 179 Y HA 0.431 4.980 4.550 -0.001 0.000 0.341 179 Y C -0.039 175.995 175.900 0.224 0.000 1.031 179 Y CA -1.204 57.078 58.100 0.305 0.000 1.295 179 Y CB 0.375 39.087 38.460 0.420 0.000 1.162 179 Y HN 0.069 nan 8.280 nan 0.000 0.523 180 M N 9.013 128.593 119.600 -0.033 0.000 2.294 180 M HA 0.395 4.875 4.480 -0.001 0.000 0.335 180 M C -0.561 175.512 176.300 -0.378 0.000 1.079 180 M CA -0.757 54.437 55.300 -0.176 0.000 0.982 180 M CB 1.210 33.731 32.600 -0.131 0.000 1.651 180 M HN 0.658 nan 8.290 nan 0.000 0.437 181 I N -0.274 120.155 120.570 -0.236 0.000 2.460 181 I HA 0.869 5.039 4.170 -0.001 0.000 0.298 181 I C -0.222 176.004 176.117 0.182 0.000 0.989 181 I CA -0.380 60.859 61.300 -0.101 0.000 1.173 181 I CB 2.038 39.990 38.000 -0.080 0.000 1.338 181 I HN 0.669 nan 8.210 nan 0.000 0.456 182 S N 4.576 120.392 115.700 0.192 0.000 2.588 182 S HA 0.741 5.210 4.470 -0.001 0.000 0.269 182 S C -1.089 173.516 174.600 0.008 0.000 1.157 182 S CA -0.751 57.562 58.200 0.188 0.000 0.824 182 S CB 2.174 65.279 63.200 -0.159 0.000 1.126 182 S HN 0.961 nan 8.310 nan 0.000 0.464 183 R N 0.704 121.133 120.500 -0.118 0.000 2.728 183 R HA 0.376 4.716 4.340 -0.001 0.000 0.274 183 R C -2.379 174.033 176.300 0.188 0.000 1.030 183 R CA -0.592 55.347 56.100 -0.268 0.000 0.876 183 R CB 1.011 30.736 30.300 -0.957 0.000 1.259 183 R HN 0.683 nan 8.270 nan 0.000 0.468 184 Y N 1.744 122.042 120.300 -0.002 0.000 2.919 184 Y HA 0.577 5.127 4.550 -0.001 0.000 0.341 184 Y C -1.663 174.293 175.900 0.093 0.000 1.045 184 Y CA -0.543 57.688 58.100 0.219 0.000 1.218 184 Y CB 0.457 39.107 38.460 0.315 0.000 1.137 184 Y HN 0.523 nan 8.280 nan 0.000 0.577 185 S N 2.561 118.303 115.700 0.071 0.000 2.685 185 S HA 0.532 5.002 4.470 -0.001 0.000 0.282 185 S C -1.914 172.889 174.600 0.339 0.000 1.159 185 S CA -0.633 57.749 58.200 0.304 0.000 0.833 185 S CB 1.276 64.770 63.200 0.491 0.000 1.151 185 S HN 0.231 nan 8.310 nan 0.000 0.485 186 Y N 2.001 122.603 120.300 0.503 0.000 2.326 186 Y HA 0.634 5.184 4.550 -0.001 0.000 0.337 186 Y C -0.190 176.079 175.900 0.616 0.000 1.023 186 Y CA -0.690 57.648 58.100 0.396 0.000 1.143 186 Y CB 0.395 39.050 38.460 0.325 0.000 1.183 186 Y HN 0.694 nan 8.280 nan 0.000 0.485 187 Y N 2.342 122.836 120.300 0.324 0.000 2.765 187 Y HA 0.581 5.131 4.550 -0.001 0.000 0.350 187 Y C -3.325 172.583 175.900 0.013 0.000 1.196 187 Y CA -2.781 55.432 58.100 0.188 0.000 1.119 187 Y CB 0.117 38.770 38.460 0.323 0.000 1.368 187 Y HN 0.315 nan 8.280 nan 0.000 0.463 188 P HA 0.091 nan 4.420 nan 0.000 0.286 188 P C 0.329 177.395 177.300 -0.390 0.000 1.293 188 P CA 0.194 63.156 63.100 -0.229 0.000 0.770 188 P CB 0.962 32.555 31.700 -0.178 0.000 1.206 189 Q N -0.351 118.972 119.800 -0.795 0.000 2.152 189 Q HA -0.235 4.105 4.340 -0.001 0.000 0.206 189 Q C 1.001 176.909 176.000 -0.153 0.000 0.985 189 Q CA 1.983 57.541 55.803 -0.408 0.000 0.863 189 Q CB -0.751 27.782 28.738 -0.342 0.000 0.904 189 Q HN 0.291 nan 8.270 nan 0.000 0.422 190 D N 0.823 121.133 120.400 -0.151 0.000 2.178 190 D HA -0.097 4.543 4.640 -0.001 0.000 0.201 190 D C 1.767 178.023 176.300 -0.073 0.000 0.980 190 D CA 0.941 54.885 54.000 -0.093 0.000 0.842 190 D CB -0.034 40.717 40.800 -0.081 0.000 0.948 190 D HN 0.223 nan 8.370 nan 0.000 0.472 191 K N 0.615 120.968 120.400 -0.078 0.000 2.148 191 K HA -0.036 4.284 4.320 -0.001 0.000 0.204 191 K C 2.193 178.756 176.600 -0.062 0.000 1.050 191 K CA 0.212 56.461 56.287 -0.063 0.000 0.942 191 K CB -0.375 32.082 32.500 -0.072 0.000 0.724 191 K HN 0.106 nan 8.250 nan 0.000 0.446 192 V N 1.049 120.947 119.914 -0.026 0.000 2.295 192 V HA -0.211 3.908 4.120 -0.001 0.000 0.246 192 V C 2.485 178.536 176.094 -0.071 0.000 1.049 192 V CA 1.498 63.781 62.300 -0.027 0.000 1.024 192 V CB -0.477 31.420 31.823 0.123 0.000 0.648 192 V HN -0.033 nan 8.190 nan 0.000 0.447 193 V N -0.247 119.637 119.914 -0.049 0.000 2.427 193 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 193 V C 2.389 178.446 176.094 -0.061 0.000 1.051 193 V CA 1.920 64.187 62.300 -0.055 0.000 1.048 193 V CB -0.712 31.080 31.823 -0.051 0.000 0.666 193 V HN 0.596 nan 8.190 nan 0.000 0.456 194 E N -0.076 120.088 120.200 -0.059 0.000 2.085 194 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 194 E C 2.139 178.703 176.600 -0.059 0.000 0.994 194 E CA 1.481 57.851 56.400 -0.049 0.000 0.801 194 E CB -0.241 29.438 29.700 -0.036 0.000 0.743 194 E HN 0.415 nan 8.360 nan 0.000 0.453 195 L N 0.544 121.712 121.223 -0.091 0.000 2.046 195 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 195 L C 2.192 178.984 176.870 -0.130 0.000 1.077 195 L CA 1.308 56.072 54.840 -0.127 0.000 0.747 195 L CB -0.267 41.648 42.059 -0.240 0.000 0.896 195 L HN -0.046 nan 8.230 nan 0.000 0.432 196 V N -0.152 119.691 119.914 -0.118 0.000 2.343 196 V HA -0.285 3.835 4.120 -0.001 0.000 0.247 196 V C 2.275 178.341 176.094 -0.048 0.000 1.051 196 V CA 1.919 64.170 62.300 -0.080 0.000 1.036 196 V CB -0.773 31.010 31.823 -0.067 0.000 0.654 196 V HN 0.460 nan 8.190 nan 0.000 0.451 197 D N 0.058 120.429 120.400 -0.047 0.000 2.097 197 D HA -0.115 4.524 4.640 -0.001 0.000 0.195 197 D C 2.082 178.368 176.300 -0.025 0.000 0.989 197 D CA 1.396 55.377 54.000 -0.032 0.000 0.827 197 D CB -0.174 40.607 40.800 -0.032 0.000 0.966 197 D HN 0.397 nan 8.370 nan 0.000 0.456 198 I N 0.480 121.025 120.570 -0.042 0.000 2.226 198 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 198 I C 2.436 178.543 176.117 -0.016 0.000 1.100 198 I CA 0.664 61.935 61.300 -0.047 0.000 1.374 198 I CB -0.175 37.764 38.000 -0.101 0.000 1.057 198 I HN -0.005 nan 8.210 nan 0.000 0.413 199 M N 0.107 119.695 119.600 -0.020 0.000 2.086 199 M HA -0.234 4.246 4.480 -0.001 0.000 0.261 199 M C 2.341 178.753 176.300 0.186 0.000 1.067 199 M CA 1.941 57.292 55.300 0.085 0.000 1.116 199 M CB -1.096 31.519 32.600 0.025 0.000 1.348 199 M HN 0.327 nan 8.290 nan 0.000 0.407 200 Q N -0.370 119.482 119.800 0.086 0.000 2.079 200 Q HA -0.178 4.162 4.340 -0.001 0.000 0.200 200 Q C 2.092 178.111 176.000 0.031 0.000 0.974 200 Q CA 1.267 57.107 55.803 0.061 0.000 0.840 200 Q CB -0.238 28.512 28.738 0.020 0.000 0.898 200 Q HN 0.471 nan 8.270 nan 0.000 0.430 201 K N 1.254 121.666 120.400 0.020 0.000 2.147 201 K HA -0.169 4.151 4.320 -0.001 0.000 0.205 201 K C 1.129 177.730 176.600 0.001 0.000 1.049 201 K CA 1.184 57.472 56.287 0.002 0.000 0.936 201 K CB 0.166 32.664 32.500 -0.003 0.000 0.722 201 K HN 0.164 nan 8.250 nan 0.000 0.446 202 E N -0.983 119.241 120.200 0.040 0.000 2.465 202 E HA 0.054 4.404 4.350 -0.001 0.000 0.191 202 E C 0.283 176.810 176.600 -0.121 0.000 1.053 202 E CA 0.333 56.748 56.400 0.026 0.000 0.869 202 E CB 0.580 30.362 29.700 0.137 0.000 0.977 202 E HN 0.597 nan 8.360 nan 0.000 0.483 203 G N 1.189 109.913 108.800 -0.127 0.000 2.131 203 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.223 203 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.223 203 G C -0.238 174.426 174.900 -0.393 0.000 0.990 203 G CA -0.492 44.445 45.100 -0.272 0.000 0.671 203 G HN 0.160 nan 8.290 nan 0.000 0.521 204 F N 0.789 120.756 119.950 0.029 0.000 2.404 204 F HA 0.551 5.077 4.527 -0.001 0.000 0.354 204 F C 0.954 176.827 175.800 0.122 0.000 1.122 204 F CA -0.933 57.131 58.000 0.107 0.000 1.080 204 F CB 1.372 40.478 39.000 0.176 0.000 1.131 204 F HN 0.053 nan 8.300 nan 0.000 0.471 205 R N 3.653 124.311 120.500 0.263 0.000 2.272 205 R HA 0.426 4.765 4.340 -0.001 0.000 0.334 205 R C -1.406 175.106 176.300 0.354 0.000 1.117 205 R CA -0.208 55.962 56.100 0.116 0.000 0.966 205 R CB 0.209 30.319 30.300 -0.316 0.000 1.049 205 R HN 0.511 nan 8.270 nan 0.000 0.477 206 V N 5.307 125.363 119.914 0.236 0.000 2.364 206 V HA 0.193 4.312 4.120 -0.001 0.000 0.272 206 V C 1.092 177.264 176.094 0.129 0.000 1.036 206 V CA 0.003 62.403 62.300 0.168 0.000 0.880 206 V CB 1.014 32.858 31.823 0.036 0.000 0.991 206 V HN 0.975 nan 8.190 nan 0.000 0.460 207 A N 4.169 127.106 122.820 0.196 0.000 1.930 207 A HA 0.521 4.841 4.320 -0.001 0.000 0.215 207 A C 1.143 178.742 177.584 0.024 0.000 1.176 207 A CA 1.165 53.300 52.037 0.164 0.000 0.632 207 A CB -0.111 19.071 19.000 0.304 0.000 0.819 207 A HN 1.075 nan 8.150 nan 0.000 0.445 208 G N -2.364 106.455 108.800 0.032 0.000 2.646 208 G HA2 0.480 4.439 3.960 -0.001 0.000 0.291 208 G HA3 0.480 4.439 3.960 -0.001 0.000 0.291 208 G C -1.677 173.266 174.900 0.071 0.000 1.445 208 G CA 0.212 45.299 45.100 -0.021 0.000 0.814 208 G HN 0.764 nan 8.290 nan 0.000 0.495 209 V N 0.419 120.372 119.914 0.066 0.000 2.555 209 V HA 0.825 4.945 4.120 -0.001 0.000 0.302 209 V C -1.349 174.902 176.094 0.262 0.000 1.038 209 V CA -1.001 61.423 62.300 0.208 0.000 0.887 209 V CB 1.222 33.127 31.823 0.138 0.000 0.991 209 V HN 0.509 nan 8.190 nan 0.000 0.434 210 F N 6.306 126.356 119.950 0.167 0.000 2.420 210 F HA 0.627 5.154 4.527 -0.001 0.000 0.342 210 F C -0.112 175.911 175.800 0.372 0.000 1.113 210 F CA -0.856 57.268 58.000 0.207 0.000 1.059 210 F CB 1.667 40.660 39.000 -0.012 0.000 1.128 210 F HN 0.264 nan 8.300 nan 0.000 0.475 211 L N 4.131 125.665 121.223 0.517 0.000 2.280 211 L HA 0.324 4.664 4.340 -0.001 0.000 0.287 211 L C 0.087 177.350 176.870 0.656 0.000 1.023 211 L CA -0.268 54.883 54.840 0.518 0.000 0.819 211 L CB 0.504 42.695 42.059 0.221 0.000 1.212 211 L HN 0.514 nan 8.230 nan 0.000 0.420 212 D N 2.043 122.829 120.400 0.644 0.000 2.451 212 D HA 0.143 4.783 4.640 -0.001 0.000 0.259 212 D C 1.699 178.179 176.300 0.300 0.000 1.201 212 D CA -0.308 53.977 54.000 0.476 0.000 1.028 212 D CB 1.058 42.207 40.800 0.582 0.000 1.095 212 D HN 0.545 nan 8.370 nan 0.000 0.539 213 I N -0.718 119.870 120.570 0.029 0.000 2.597 213 I HA -0.298 3.872 4.170 -0.001 0.000 0.262 213 I C 1.118 177.131 176.117 -0.173 0.000 1.194 213 I CA 1.379 62.578 61.300 -0.167 0.000 1.437 213 I CB -0.569 37.309 38.000 -0.203 0.000 1.096 213 I HN 0.264 nan 8.210 nan 0.000 0.451 214 H N 0.468 119.512 119.070 -0.044 0.000 2.545 214 H HA -0.102 4.454 4.556 -0.001 0.000 0.282 214 H C 1.769 177.005 175.328 -0.153 0.000 1.020 214 H CA 1.802 57.711 56.048 -0.230 0.000 1.243 214 H CB -0.346 29.059 29.762 -0.596 0.000 1.377 214 H HN 0.791 nan 8.280 nan 0.000 0.581 215 Y N -1.029 119.265 120.300 -0.011 0.000 2.457 215 Y HA 0.152 4.702 4.550 -0.001 0.000 0.292 215 Y C 0.575 176.416 175.900 -0.098 0.000 1.125 215 Y CA -0.349 57.607 58.100 -0.241 0.000 1.254 215 Y CB -0.347 37.716 38.460 -0.662 0.000 1.012 215 Y HN -0.045 nan 8.280 nan 0.000 0.555 216 M N 1.370 120.587 119.600 -0.639 0.000 2.202 216 M HA 0.080 4.560 4.480 -0.001 0.000 0.316 216 M C -0.549 175.641 176.300 -0.184 0.000 1.138 216 M CA -0.252 54.752 55.300 -0.493 0.000 1.151 216 M CB 0.353 32.545 32.600 -0.680 0.000 1.422 216 M HN 0.088 nan 8.290 nan 0.000 0.471 217 D N 0.384 120.687 120.400 -0.162 0.000 2.380 217 D HA 0.201 4.841 4.640 -0.001 0.000 0.230 217 D C -0.461 175.676 176.300 -0.271 0.000 1.154 217 D CA 0.179 54.063 54.000 -0.193 0.000 0.859 217 D CB 0.324 41.050 40.800 -0.124 0.000 1.045 217 D HN 0.609 nan 8.370 nan 0.000 0.495 218 S N 3.038 118.523 115.700 -0.359 0.000 3.641 218 S HA -0.274 4.195 4.470 -0.001 0.000 0.346 218 S C 0.108 174.516 174.600 -0.321 0.000 1.074 218 S CA 0.670 58.648 58.200 -0.371 0.000 1.026 218 S CB -1.978 61.108 63.200 -0.190 0.000 0.908 218 S HN 0.642 nan 8.310 nan 0.000 0.479 219 Y N -2.249 117.942 120.300 -0.182 0.000 4.538 219 Y HA -0.271 4.279 4.550 -0.001 0.000 0.225 219 Y C 0.698 176.446 175.900 -0.253 0.000 1.074 219 Y CA 1.062 59.032 58.100 -0.216 0.000 1.942 219 Y CB -1.981 36.422 38.460 -0.095 0.000 1.618 219 Y HN 0.496 nan 8.280 nan 0.000 0.642 220 K N 1.319 121.574 120.400 -0.242 0.000 2.297 220 K HA 0.382 4.702 4.320 -0.001 0.000 0.286 220 K C 0.467 176.919 176.600 -0.246 0.000 1.053 220 K CA -0.549 55.536 56.287 -0.337 0.000 0.940 220 K CB 0.677 32.885 32.500 -0.486 0.000 1.019 220 K HN 0.138 nan 8.250 nan 0.000 0.475 221 L N 3.951 125.063 121.223 -0.186 0.000 2.514 221 L HA -0.024 4.316 4.340 -0.001 0.000 0.280 221 L C 0.073 176.667 176.870 -0.460 0.000 1.223 221 L CA 0.124 54.653 54.840 -0.518 0.000 0.864 221 L CB -0.372 41.326 42.059 -0.602 0.000 1.118 221 L HN 0.694 nan 8.230 nan 0.000 0.494 222 F N -0.004 119.568 119.950 -0.629 0.000 3.074 222 F HA -0.215 4.311 4.527 -0.001 0.000 0.287 222 F C 0.587 176.244 175.800 -0.238 0.000 0.932 222 F CA 0.844 58.361 58.000 -0.805 0.000 0.995 222 F CB -2.623 36.126 39.000 -0.418 0.000 0.966 222 F HN 0.698 nan 8.300 nan 0.000 0.721 223 T N -4.358 110.103 114.554 -0.156 0.000 2.883 223 T HA 0.716 5.065 4.350 -0.001 0.000 0.301 223 T C -0.864 173.846 174.700 0.016 0.000 1.158 223 T CA -1.010 61.139 62.100 0.083 0.000 1.007 223 T CB 1.969 70.888 68.868 0.085 0.000 1.186 223 T HN 0.192 nan 8.240 nan 0.000 0.499 224 W N 1.120 122.611 121.300 0.319 0.000 2.632 224 W HA 0.438 5.098 4.660 -0.000 0.000 0.328 224 W C 0.485 177.153 176.519 0.249 0.000 1.044 224 W CA -0.815 56.733 57.345 0.338 0.000 1.225 224 W CB 1.019 30.669 29.460 0.315 0.000 1.396 224 W HN 0.762 nan 8.180 nan 0.000 0.499 225 H N 6.164 125.508 119.070 0.457 0.000 3.046 225 H HA -0.017 4.538 4.556 -0.001 0.000 0.303 225 H C -1.220 174.268 175.328 0.266 0.000 1.002 225 H CA -0.526 55.702 56.048 0.301 0.000 1.460 225 H CB 1.186 31.166 29.762 0.364 0.000 1.493 225 H HN 0.204 nan 8.280 nan 0.000 0.559 226 P HA -0.187 nan 4.420 nan 0.000 0.220 226 P C 0.351 177.496 177.300 -0.258 0.000 1.144 226 P CA 1.456 64.421 63.100 -0.225 0.000 0.800 226 P CB 0.110 31.490 31.700 -0.534 0.000 0.772 227 Y N -0.620 119.934 120.300 0.423 0.000 2.558 227 Y HA 0.247 4.797 4.550 -0.001 0.000 0.273 227 Y C 2.734 178.783 175.900 0.248 0.000 1.100 227 Y CA 0.209 58.502 58.100 0.322 0.000 1.276 227 Y CB -0.463 38.185 38.460 0.313 0.000 1.196 227 Y HN -0.209 nan 8.280 nan 0.000 0.527 228 R N -0.860 119.914 120.500 0.457 0.000 2.140 228 R HA 0.104 4.444 4.340 -0.001 0.000 0.213 228 R C -0.426 175.736 176.300 -0.230 0.000 1.059 228 R CA 0.876 57.025 56.100 0.081 0.000 1.000 228 R CB 0.080 30.430 30.300 0.083 0.000 0.910 228 R HN 0.110 nan 8.270 nan 0.000 0.455 229 F N -0.225 119.906 119.950 0.301 0.000 2.564 229 F HA 0.337 4.863 4.527 -0.001 0.000 0.329 229 F C -2.000 173.856 175.800 0.094 0.000 1.458 229 F CA -2.301 55.824 58.000 0.208 0.000 1.117 229 F CB 1.681 40.932 39.000 0.418 0.000 1.383 229 F HN -0.176 nan 8.300 nan 0.000 0.571 230 P HA -0.107 nan 4.420 nan 0.000 0.218 230 P C -0.254 177.033 177.300 -0.023 0.000 1.149 230 P CA 1.405 64.534 63.100 0.048 0.000 0.817 230 P CB 0.317 32.035 31.700 0.030 0.000 0.785 231 E N -0.789 119.366 120.200 -0.074 0.000 3.374 231 E HA 0.126 4.476 4.350 -0.001 0.000 0.223 231 E C -1.913 174.533 176.600 -0.256 0.000 1.210 231 E CA -1.552 54.762 56.400 -0.143 0.000 0.987 231 E CB 0.850 30.487 29.700 -0.104 0.000 1.322 231 E HN 0.250 nan 8.360 nan 0.000 0.404 232 P HA -0.184 nan 4.420 nan 0.000 0.222 232 P C 0.904 177.887 177.300 -0.529 0.000 1.147 232 P CA 0.947 63.559 63.100 -0.814 0.000 0.790 232 P CB 0.399 30.935 31.700 -1.939 0.000 0.780 233 K N 0.544 120.726 120.400 -0.364 0.000 2.057 233 K HA -0.133 4.187 4.320 -0.001 0.000 0.206 233 K C 2.338 178.814 176.600 -0.206 0.000 1.050 233 K CA 1.210 57.347 56.287 -0.251 0.000 0.935 233 K CB -0.271 32.125 32.500 -0.173 0.000 0.715 233 K HN 0.144 nan 8.250 nan 0.000 0.439 234 K N 1.366 121.657 120.400 -0.182 0.000 2.057 234 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 234 K C 2.234 178.744 176.600 -0.150 0.000 1.049 234 K CA 0.879 57.082 56.287 -0.140 0.000 0.931 234 K CB -0.089 32.343 32.500 -0.113 0.000 0.714 234 K HN -0.001 nan 8.250 nan 0.000 0.440 235 L N 1.592 122.709 121.223 -0.176 0.000 2.017 235 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 235 L C 2.011 178.762 176.870 -0.197 0.000 1.073 235 L CA 1.608 56.359 54.840 -0.149 0.000 0.745 235 L CB -0.321 41.672 42.059 -0.109 0.000 0.894 235 L HN 0.241 nan 8.230 nan 0.000 0.432 236 I N -0.117 120.287 120.570 -0.278 0.000 2.226 236 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 236 I C 2.220 178.071 176.117 -0.443 0.000 1.100 236 I CA 1.772 62.826 61.300 -0.410 0.000 1.374 236 I CB -0.505 37.255 38.000 -0.401 0.000 1.057 236 I HN 0.433 nan 8.210 nan 0.000 0.413 237 D N 0.840 121.092 120.400 -0.246 0.000 2.117 237 D HA -0.205 4.435 4.640 -0.001 0.000 0.198 237 D C 2.040 178.283 176.300 -0.095 0.000 0.982 237 D CA 1.445 55.367 54.000 -0.129 0.000 0.828 237 D CB 0.075 40.821 40.800 -0.091 0.000 0.967 237 D HN 0.312 nan 8.370 nan 0.000 0.464 238 E N -0.402 119.731 120.200 -0.112 0.000 2.072 238 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 238 E C 2.312 178.869 176.600 -0.072 0.000 0.985 238 E CA 0.674 57.026 56.400 -0.079 0.000 0.801 238 E CB -0.044 29.609 29.700 -0.078 0.000 0.750 238 E HN 0.373 nan 8.360 nan 0.000 0.452 239 L N -0.088 121.068 121.223 -0.113 0.000 2.093 239 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 239 L C 2.286 179.147 176.870 -0.014 0.000 1.085 239 L CA 1.205 55.993 54.840 -0.088 0.000 0.755 239 L CB -0.488 41.492 42.059 -0.131 0.000 0.904 239 L HN 0.255 nan 8.230 nan 0.000 0.435 240 H N -0.028 118.981 119.070 -0.101 0.000 2.389 240 H HA -0.127 4.429 4.556 -0.001 0.000 0.299 240 H C 2.113 177.388 175.328 -0.088 0.000 1.081 240 H CA 0.830 56.813 56.048 -0.109 0.000 1.345 240 H CB 0.224 29.923 29.762 -0.105 0.000 1.393 240 H HN 0.240 nan 8.280 nan 0.000 0.520 241 K N 0.684 121.115 120.400 0.051 0.000 2.209 241 K HA -0.086 4.234 4.320 -0.001 0.000 0.204 241 K C 1.505 178.098 176.600 -0.011 0.000 1.048 241 K CA 0.875 57.165 56.287 0.005 0.000 0.940 241 K CB 0.097 32.590 32.500 -0.011 0.000 0.729 241 K HN 0.262 nan 8.250 nan 0.000 0.451 242 R N 0.777 121.269 120.500 -0.013 0.000 2.426 242 R HA 0.088 4.427 4.340 -0.001 0.000 0.263 242 R C -0.135 176.147 176.300 -0.029 0.000 0.961 242 R CA -0.091 55.995 56.100 -0.023 0.000 1.086 242 R CB -0.275 30.009 30.300 -0.027 0.000 1.186 242 R HN 0.274 nan 8.270 nan 0.000 0.537 243 N N 0.678 119.359 118.700 -0.031 0.000 2.727 243 N HA -0.178 4.562 4.740 -0.001 0.000 0.249 243 N C -1.295 174.168 175.510 -0.078 0.000 1.048 243 N CA 0.111 53.123 53.050 -0.062 0.000 0.714 243 N CB -0.265 38.186 38.487 -0.060 0.000 0.959 243 N HN -0.042 nan 8.380 nan 0.000 0.544 244 V N 1.516 121.395 119.914 -0.060 0.000 2.495 244 V HA 0.381 4.501 4.120 -0.001 0.000 0.298 244 V C 0.356 176.378 176.094 -0.118 0.000 1.031 244 V CA -0.835 61.414 62.300 -0.085 0.000 0.871 244 V CB 1.913 33.705 31.823 -0.052 0.000 0.988 244 V HN 0.078 nan 8.190 nan 0.000 0.432 245 K N 2.949 123.189 120.400 -0.266 0.000 2.126 245 K HA 0.549 4.869 4.320 -0.001 0.000 0.257 245 K C -0.714 175.756 176.600 -0.215 0.000 1.007 245 K CA -0.628 55.438 56.287 -0.368 0.000 0.928 245 K CB 1.685 33.644 32.500 -0.902 0.000 1.013 245 K HN 0.451 nan 8.250 nan 0.000 0.473 246 L N 2.347 123.468 121.223 -0.171 0.000 2.325 246 L HA 0.417 4.756 4.340 -0.001 0.000 0.281 246 L C -1.349 175.453 176.870 -0.114 0.000 1.004 246 L CA -0.507 54.261 54.840 -0.120 0.000 0.823 246 L CB 0.963 42.960 42.059 -0.103 0.000 1.236 246 L HN 0.397 nan 8.230 nan 0.000 0.415 247 I N 4.006 124.448 120.570 -0.212 0.000 2.389 247 I HA 0.511 4.681 4.170 -0.001 0.000 0.288 247 I C 0.099 176.204 176.117 -0.020 0.000 0.999 247 I CA -0.133 61.028 61.300 -0.232 0.000 1.129 247 I CB 2.054 39.483 38.000 -0.952 0.000 1.288 247 I HN 0.708 nan 8.210 nan 0.000 0.444 248 T N 4.259 118.917 114.554 0.175 0.000 2.824 248 T HA 0.654 5.004 4.350 -0.001 0.000 0.280 248 T C -0.030 174.904 174.700 0.389 0.000 0.995 248 T CA -0.663 61.584 62.100 0.245 0.000 1.009 248 T CB 1.327 70.311 68.868 0.194 0.000 0.955 248 T HN 0.452 nan 8.240 nan 0.000 0.452 249 I N 2.884 123.715 120.570 0.436 0.000 2.696 249 I HA 0.461 4.631 4.170 -0.001 0.000 0.284 249 I C -1.002 175.126 176.117 0.017 0.000 1.129 249 I CA -0.364 61.000 61.300 0.106 0.000 1.410 249 I CB 0.612 38.375 38.000 -0.395 0.000 1.399 249 I HN 0.501 nan 8.210 nan 0.000 0.579 250 V N 7.140 127.020 119.914 -0.056 0.000 2.567 250 V HA 0.308 4.428 4.120 -0.001 0.000 0.298 250 V C -0.477 175.643 176.094 0.045 0.000 1.047 250 V CA -0.868 61.377 62.300 -0.093 0.000 0.880 250 V CB 1.492 33.285 31.823 -0.050 0.000 1.009 250 V HN 0.710 nan 8.190 nan 0.000 0.429 251 D N 2.374 122.812 120.400 0.063 0.000 2.478 251 D HA 0.270 4.910 4.640 -0.001 0.000 0.274 251 D C 0.686 177.249 176.300 0.438 0.000 1.234 251 D CA -0.204 53.946 54.000 0.250 0.000 1.069 251 D CB 0.723 41.687 40.800 0.273 0.000 1.113 251 D HN 0.813 nan 8.370 nan 0.000 0.571 252 H N -1.847 117.394 119.070 0.284 0.000 2.755 252 H HA 0.281 4.836 4.556 -0.001 0.000 0.273 252 H C 0.406 176.009 175.328 0.459 0.000 1.055 252 H CA -0.398 55.906 56.048 0.425 0.000 1.191 252 H CB -0.238 29.825 29.762 0.502 0.000 1.536 252 H HN 0.213 nan 8.280 nan 0.000 0.529 253 G N 2.396 111.160 108.800 -0.061 0.000 2.339 253 G HA2 0.449 4.408 3.960 -0.001 0.000 0.287 253 G HA3 0.449 4.408 3.960 -0.001 0.000 0.287 253 G C -0.376 174.456 174.900 -0.114 0.000 1.163 253 G CA -0.492 44.428 45.100 -0.301 0.000 0.872 253 G HN 0.188 nan 8.290 nan 0.000 0.464 254 I N 2.369 122.846 120.570 -0.155 0.000 2.304 254 I HA 0.248 4.418 4.170 -0.001 0.000 0.291 254 I C 0.870 176.899 176.117 -0.146 0.000 1.018 254 I CA -0.808 60.544 61.300 0.086 0.000 1.260 254 I CB 1.204 39.350 38.000 0.243 0.000 1.390 254 I HN 0.546 nan 8.210 nan 0.000 0.475 255 R N 5.311 125.725 120.500 -0.144 0.000 2.484 255 R HA 0.156 4.495 4.340 -0.001 0.000 0.293 255 R C -0.637 175.374 176.300 -0.483 0.000 1.023 255 R CA -0.189 55.699 56.100 -0.354 0.000 1.037 255 R CB 0.591 30.590 30.300 -0.503 0.000 0.951 255 R HN 0.431 nan 8.270 nan 0.000 0.418 256 V N 5.966 125.480 119.914 -0.666 0.000 2.242 256 V HA 0.034 4.154 4.120 -0.001 0.000 0.242 256 V C 0.004 175.610 176.094 -0.815 0.000 1.240 256 V CA 0.453 62.075 62.300 -1.130 0.000 1.211 256 V CB -0.079 31.316 31.823 -0.713 0.000 1.338 256 V HN 0.701 nan 8.190 nan 0.000 0.499 257 D N 2.837 122.774 120.400 -0.773 0.000 2.696 257 D HA 0.224 4.863 4.640 -0.001 0.000 0.251 257 D C 0.794 177.105 176.300 0.018 0.000 1.188 257 D CA -0.520 53.329 54.000 -0.252 0.000 0.876 257 D CB 2.205 42.936 40.800 -0.115 0.000 1.334 257 D HN 0.374 nan 8.370 nan 0.000 0.540 258 Q N 1.986 121.824 119.800 0.064 0.000 2.297 258 Q HA -0.132 4.208 4.340 -0.001 0.000 0.208 258 Q C 0.285 176.401 176.000 0.193 0.000 0.981 258 Q CA 1.462 57.371 55.803 0.176 0.000 0.876 258 Q CB 0.140 28.938 28.738 0.100 0.000 0.921 258 Q HN 0.415 nan 8.270 nan 0.000 0.446 259 N N -1.195 117.609 118.700 0.173 0.000 2.291 259 N HA 0.045 4.785 4.740 -0.001 0.000 0.244 259 N C -1.385 174.266 175.510 0.234 0.000 1.216 259 N CA -0.179 52.971 53.050 0.167 0.000 0.879 259 N CB 0.723 39.278 38.487 0.112 0.000 1.167 259 N HN 0.085 nan 8.380 nan 0.000 0.515 260 Y N 1.145 121.527 120.300 0.138 0.000 2.434 260 Y HA 0.334 4.883 4.550 -0.001 0.000 0.341 260 Y C 1.430 177.466 175.900 0.227 0.000 0.965 260 Y CA -0.945 57.245 58.100 0.150 0.000 1.205 260 Y CB 0.700 39.225 38.460 0.109 0.000 1.121 260 Y HN -0.053 nan 8.280 nan 0.000 0.507 261 S N 5.832 121.479 115.700 -0.089 0.000 2.378 261 S HA -0.178 4.292 4.470 -0.001 0.000 0.229 261 S C -0.736 173.792 174.600 -0.120 0.000 1.052 261 S CA 2.395 60.539 58.200 -0.092 0.000 1.084 261 S CB -0.702 62.462 63.200 -0.059 0.000 0.950 261 S HN 0.731 nan 8.310 nan 0.000 0.440 262 P HA -0.061 nan 4.420 nan 0.000 0.218 262 P C 1.190 178.705 177.300 0.358 0.000 1.148 262 P CA 0.837 63.965 63.100 0.047 0.000 0.822 262 P CB -0.130 31.526 31.700 -0.074 0.000 0.784 263 F N 0.250 120.239 119.950 0.064 0.000 2.146 263 F HA -0.121 4.406 4.527 -0.001 0.000 0.298 263 F C 1.857 177.811 175.800 0.256 0.000 1.096 263 F CA 1.430 59.599 58.000 0.281 0.000 1.275 263 F CB -0.947 38.197 39.000 0.240 0.000 1.008 263 F HN -0.250 nan 8.300 nan 0.000 0.480 264 L N -0.180 121.071 121.223 0.047 0.000 2.056 264 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 264 L C 2.674 179.479 176.870 -0.107 0.000 1.078 264 L CA 1.457 56.238 54.840 -0.098 0.000 0.749 264 L CB -1.123 40.945 42.059 0.014 0.000 0.901 264 L HN 0.295 nan 8.230 nan 0.000 0.433 265 S N -0.345 115.360 115.700 0.008 0.000 2.461 265 S HA -0.034 4.435 4.470 -0.001 0.000 0.228 265 S C 1.919 176.357 174.600 -0.270 0.000 1.005 265 S CA 0.678 58.890 58.200 0.021 0.000 0.942 265 S CB -0.446 62.908 63.200 0.257 0.000 0.776 265 S HN 0.391 nan 8.310 nan 0.000 0.514 266 G N 0.852 109.393 108.800 -0.432 0.000 2.712 266 G HA2 0.162 4.122 3.960 -0.001 0.000 0.212 266 G HA3 0.162 4.122 3.960 -0.001 0.000 0.212 266 G C 0.434 174.369 174.900 -1.609 0.000 1.142 266 G CA -0.164 44.005 45.100 -1.553 0.000 0.789 266 G HN 0.456 nan 8.290 nan 0.000 0.535 267 M N 1.397 120.493 119.600 -0.841 0.000 2.286 267 M HA 0.353 4.832 4.480 -0.001 0.000 0.365 267 M C 1.461 177.396 176.300 -0.608 0.000 1.443 267 M CA 0.783 55.723 55.300 -0.599 0.000 0.951 267 M CB 0.129 32.514 32.600 -0.358 0.000 1.961 267 M HN 0.505 nan 8.290 nan 0.000 0.468 268 G N 4.147 112.644 108.800 -0.506 0.000 2.232 268 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.226 268 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.226 268 G C 0.717 175.356 174.900 -0.434 0.000 0.996 268 G CA 0.321 45.194 45.100 -0.377 0.000 0.626 268 G HN 0.653 nan 8.290 nan 0.000 0.509 269 K N -0.130 119.829 120.400 -0.735 0.000 2.414 269 K HA 0.424 4.744 4.320 -0.001 0.000 0.204 269 K C -0.152 176.163 176.600 -0.475 0.000 1.026 269 K CA -0.432 55.492 56.287 -0.605 0.000 1.108 269 K CB 0.388 32.452 32.500 -0.727 0.000 0.855 269 K HN 0.246 nan 8.250 nan 0.000 0.517 270 F N 0.563 120.430 119.950 -0.139 0.000 2.370 270 F HA 0.195 4.722 4.527 -0.001 0.000 0.319 270 F C 1.012 176.877 175.800 0.108 0.000 1.129 270 F CA -1.809 56.180 58.000 -0.020 0.000 1.109 270 F CB 0.324 39.308 39.000 -0.027 0.000 1.262 270 F HN -0.107 nan 8.300 nan 0.000 0.534 271 C N 1.488 121.053 119.300 0.441 0.000 2.652 271 C HA 0.335 4.795 4.460 -0.001 0.000 0.412 271 C C 0.414 175.569 174.990 0.275 0.000 1.294 271 C CA -0.610 58.627 59.018 0.365 0.000 2.127 271 C CB -0.639 27.370 27.740 0.448 0.000 2.691 271 C HN 0.711 nan 8.230 nan 0.000 0.615 272 E N 1.029 121.331 120.200 0.170 0.000 2.370 272 E HA 0.719 5.069 4.350 -0.001 0.000 0.259 272 E C -0.712 175.904 176.600 0.026 0.000 0.947 272 E CA -0.676 55.804 56.400 0.132 0.000 0.809 272 E CB 1.409 31.197 29.700 0.146 0.000 1.300 272 E HN 0.682 nan 8.360 nan 0.000 0.419 273 I N -2.125 118.458 120.570 0.021 0.000 2.982 273 I HA 0.384 4.553 4.170 -0.001 0.000 0.312 273 I C 1.011 177.101 176.117 -0.045 0.000 1.041 273 I CA -0.871 60.399 61.300 -0.050 0.000 1.053 273 I CB 1.358 39.346 38.000 -0.021 0.000 1.248 273 I HN 0.332 nan 8.210 nan 0.000 0.471 274 E N 1.810 121.968 120.200 -0.069 0.000 2.108 274 E HA -0.226 4.124 4.350 -0.001 0.000 0.203 274 E C 2.081 178.663 176.600 -0.028 0.000 1.022 274 E CA 2.358 58.723 56.400 -0.058 0.000 0.823 274 E CB -0.226 29.439 29.700 -0.059 0.000 0.744 274 E HN 0.853 nan 8.360 nan 0.000 0.456 275 S N -1.444 114.246 115.700 -0.017 0.000 2.547 275 S HA 0.065 4.534 4.470 -0.001 0.000 0.235 275 S C 1.578 176.184 174.600 0.010 0.000 0.980 275 S CA 1.032 59.229 58.200 -0.005 0.000 0.941 275 S CB 0.283 63.481 63.200 -0.004 0.000 0.763 275 S HN 0.407 nan 8.310 nan 0.000 0.532 276 G N 0.236 109.048 108.800 0.021 0.000 2.259 276 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 276 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 276 G C -0.132 174.797 174.900 0.047 0.000 1.001 276 G CA -0.105 45.019 45.100 0.039 0.000 0.627 276 G HN 0.566 nan 8.290 nan 0.000 0.501 277 E N 0.507 120.732 120.200 0.041 0.000 2.376 277 E HA 0.666 5.015 4.350 -0.001 0.000 0.254 277 E C 0.964 177.608 176.600 0.073 0.000 1.213 277 E CA -0.510 55.919 56.400 0.048 0.000 0.945 277 E CB 0.728 30.449 29.700 0.036 0.000 1.057 277 E HN 0.360 nan 8.360 nan 0.000 0.479 278 L N 1.254 122.523 121.223 0.076 0.000 2.452 278 L HA 0.154 4.493 4.340 -0.001 0.000 0.267 278 L C 0.075 177.011 176.870 0.110 0.000 1.188 278 L CA -0.443 54.459 54.840 0.103 0.000 0.821 278 L CB 0.175 42.282 42.059 0.080 0.000 1.102 278 L HN 0.464 nan 8.230 nan 0.000 0.470 279 F N 3.064 122.993 119.950 -0.034 0.000 2.413 279 F HA 0.370 4.897 4.527 -0.001 0.000 0.359 279 F C -0.399 175.333 175.800 -0.113 0.000 1.122 279 F CA -0.775 57.164 58.000 -0.102 0.000 1.160 279 F CB 0.490 39.388 39.000 -0.171 0.000 1.146 279 F HN -0.048 nan 8.300 nan 0.000 0.514 280 V N 7.312 126.955 119.914 -0.452 0.000 2.370 280 V HA 0.739 4.859 4.120 -0.001 0.000 0.283 280 V C 0.505 176.161 176.094 -0.730 0.000 1.023 280 V CA -0.030 61.928 62.300 -0.569 0.000 0.857 280 V CB 0.563 32.215 31.823 -0.284 0.000 0.985 280 V HN 0.997 nan 8.190 nan 0.000 0.443 281 G N 4.355 112.661 108.800 -0.824 0.000 3.262 281 G HA2 0.663 4.622 3.960 -0.001 0.000 0.229 281 G HA3 0.663 4.622 3.960 -0.001 0.000 0.229 281 G C -1.102 173.619 174.900 -0.300 0.000 1.280 281 G CA -0.614 44.166 45.100 -0.533 0.000 0.951 281 G HN 0.422 nan 8.290 nan 0.000 0.589 282 K N 0.024 120.340 120.400 -0.139 0.000 2.443 282 K HA 0.649 4.968 4.320 -0.001 0.000 0.252 282 K C -0.914 175.684 176.600 -0.005 0.000 0.933 282 K CA -0.588 55.658 56.287 -0.069 0.000 0.792 282 K CB 2.235 34.743 32.500 0.014 0.000 1.185 282 K HN 0.371 nan 8.250 nan 0.000 0.425 283 M N 0.326 119.900 119.600 -0.043 0.000 3.557 283 M HA 0.245 4.725 4.480 -0.001 0.000 0.301 283 M C 0.234 176.519 176.300 -0.024 0.000 1.451 283 M CA -0.606 54.642 55.300 -0.087 0.000 0.816 283 M CB 0.758 33.237 32.600 -0.201 0.000 1.848 283 M HN 0.676 nan 8.290 nan 0.000 0.456 284 W N 1.383 122.690 121.300 0.011 0.000 2.304 284 W HA -0.182 4.477 4.660 -0.000 0.000 0.315 284 W C -0.777 175.629 176.519 -0.188 0.000 1.233 284 W CA 1.040 58.249 57.345 -0.226 0.000 1.261 284 W CB -1.718 27.548 29.460 -0.324 0.000 1.150 284 W HN 0.495 nan 8.180 nan 0.000 0.494 285 P HA 0.066 nan 4.420 nan 0.000 0.234 285 P C 0.796 178.086 177.300 -0.017 0.000 1.167 285 P CA 2.082 65.216 63.100 0.057 0.000 0.763 285 P CB 0.060 31.701 31.700 -0.098 0.000 0.835 286 G N -1.595 107.190 108.800 -0.026 0.000 2.594 286 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.217 286 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.217 286 G C -0.502 174.317 174.900 -0.135 0.000 1.163 286 G CA -0.304 44.762 45.100 -0.056 0.000 1.074 286 G HN 0.055 nan 8.290 nan 0.000 0.589 287 T N 2.135 116.586 114.554 -0.171 0.000 2.829 287 T HA 0.512 4.861 4.350 -0.001 0.000 0.293 287 T C 0.669 175.162 174.700 -0.346 0.000 0.970 287 T CA 1.367 63.323 62.100 -0.239 0.000 1.168 287 T CB 0.359 69.092 68.868 -0.226 0.000 0.911 287 T HN 1.531 nan 8.240 nan 0.000 0.535 288 T N -0.344 113.944 114.554 -0.444 0.000 2.883 288 T HA 0.751 5.101 4.350 -0.001 0.000 0.301 288 T C -0.374 173.825 174.700 -0.834 0.000 1.158 288 T CA -0.927 60.803 62.100 -0.617 0.000 1.007 288 T CB 1.370 69.832 68.868 -0.676 0.000 1.186 288 T HN 0.509 nan 8.240 nan 0.000 0.499 289 V N -0.704 118.685 119.914 -0.875 0.000 3.046 289 V HA 0.870 4.990 4.120 -0.001 0.000 0.316 289 V C -1.657 173.894 176.094 -0.906 0.000 1.104 289 V CA -1.416 60.379 62.300 -0.842 0.000 1.006 289 V CB 1.219 32.596 31.823 -0.744 0.000 1.058 289 V HN 0.985 nan 8.190 nan 0.000 0.440 290 Y N 1.003 121.234 120.300 -0.116 0.000 2.425 290 Y HA 0.686 5.236 4.550 -0.001 0.000 0.344 290 Y C -2.538 173.576 175.900 0.357 0.000 0.969 290 Y CA -2.738 55.464 58.100 0.170 0.000 1.052 290 Y CB 2.374 41.049 38.460 0.358 0.000 1.215 290 Y HN 0.477 nan 8.280 nan 0.000 0.451 291 P HA -0.030 nan 4.420 nan 0.000 0.271 291 P C -0.508 176.744 177.300 -0.080 0.000 1.216 291 P CA -0.045 63.106 63.100 0.084 0.000 0.771 291 P CB 1.142 32.688 31.700 -0.257 0.000 0.864 292 D N 2.725 123.163 120.400 0.063 0.000 2.517 292 D HA 0.088 4.728 4.640 -0.001 0.000 0.220 292 D C 0.542 176.855 176.300 0.022 0.000 1.158 292 D CA -0.479 53.691 54.000 0.283 0.000 0.992 292 D CB -0.759 40.282 40.800 0.401 0.000 1.058 292 D HN 0.092 nan 8.370 nan 0.000 0.516 293 F N 1.410 121.316 119.950 -0.073 0.000 2.494 293 F HA -0.059 4.467 4.527 -0.001 0.000 0.298 293 F C 1.602 177.126 175.800 -0.461 0.000 1.106 293 F CA 0.395 58.184 58.000 -0.352 0.000 1.452 293 F CB -0.494 38.077 39.000 -0.715 0.000 1.085 293 F HN 0.351 nan 8.300 nan 0.000 0.569 294 F N -0.123 119.731 119.950 -0.160 0.000 2.502 294 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 294 F C 1.294 176.937 175.800 -0.262 0.000 1.111 294 F CA 0.487 58.202 58.000 -0.476 0.000 1.445 294 F CB -0.421 38.398 39.000 -0.301 0.000 1.081 294 F HN -0.297 nan 8.300 nan 0.000 0.558 295 R N 0.795 121.347 120.500 0.086 0.000 2.308 295 R HA 0.091 4.431 4.340 -0.001 0.000 0.305 295 R C 1.369 177.709 176.300 0.067 0.000 1.053 295 R CA -0.203 55.950 56.100 0.087 0.000 0.957 295 R CB 0.941 31.298 30.300 0.095 0.000 1.022 295 R HN 0.181 nan 8.270 nan 0.000 0.461 296 E N 2.263 122.503 120.200 0.068 0.000 2.038 296 E HA -0.262 4.087 4.350 -0.001 0.000 0.195 296 E C 1.023 177.681 176.600 0.098 0.000 1.000 296 E CA 1.995 58.446 56.400 0.085 0.000 0.803 296 E CB 0.163 29.908 29.700 0.074 0.000 0.750 296 E HN 0.704 nan 8.360 nan 0.000 0.448 297 D N -0.491 119.949 120.400 0.067 0.000 2.218 297 D HA -0.157 4.482 4.640 -0.001 0.000 0.204 297 D C 1.734 178.105 176.300 0.119 0.000 0.976 297 D CA 1.518 55.558 54.000 0.067 0.000 0.853 297 D CB -0.746 40.056 40.800 0.003 0.000 0.939 297 D HN 0.132 nan 8.370 nan 0.000 0.481 298 T N 0.167 114.785 114.554 0.107 0.000 2.812 298 T HA -0.040 4.310 4.350 -0.001 0.000 0.264 298 T C 2.053 176.989 174.700 0.392 0.000 1.042 298 T CA 1.021 63.227 62.100 0.176 0.000 1.140 298 T CB -0.072 68.814 68.868 0.031 0.000 0.870 298 T HN 0.109 nan 8.240 nan 0.000 0.445 299 R N 0.860 121.542 120.500 0.302 0.000 2.083 299 R HA -0.087 4.253 4.340 -0.001 0.000 0.237 299 R C 2.540 179.036 176.300 0.326 0.000 1.137 299 R CA 1.609 57.915 56.100 0.344 0.000 0.951 299 R CB -0.165 30.269 30.300 0.224 0.000 0.851 299 R HN 0.492 nan 8.270 nan 0.000 0.434 300 E N -0.700 119.647 120.200 0.245 0.000 2.038 300 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 300 E C 1.693 178.424 176.600 0.217 0.000 1.000 300 E CA 1.551 58.065 56.400 0.189 0.000 0.803 300 E CB -0.242 29.544 29.700 0.144 0.000 0.750 300 E HN 0.436 nan 8.360 nan 0.000 0.448 301 W N 1.108 122.463 121.300 0.092 0.000 2.318 301 W HA -0.237 4.423 4.660 -0.001 0.000 0.313 301 W C 2.059 178.662 176.519 0.141 0.000 1.221 301 W CA 1.890 59.277 57.345 0.070 0.000 1.266 301 W CB -0.747 28.732 29.460 0.032 0.000 1.150 301 W HN 0.332 nan 8.180 nan 0.000 0.496 302 W N 1.176 122.428 121.300 -0.079 0.000 2.388 302 W HA -0.158 4.501 4.660 -0.000 0.000 0.294 302 W C 2.060 178.452 176.519 -0.211 0.000 1.212 302 W CA 2.510 59.690 57.345 -0.275 0.000 1.271 302 W CB -0.836 28.776 29.460 0.254 0.000 1.126 302 W HN 0.037 nan 8.180 nan 0.000 0.535 303 A N 1.068 123.940 122.820 0.087 0.000 1.972 303 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 303 A C 2.264 179.726 177.584 -0.204 0.000 1.169 303 A CA 2.141 54.161 52.037 -0.027 0.000 0.635 303 A CB -1.507 17.529 19.000 0.060 0.000 0.810 303 A HN 0.354 nan 8.150 nan 0.000 0.446 304 G N -0.248 108.411 108.800 -0.234 0.000 2.402 304 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.216 304 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.216 304 G C 1.545 176.179 174.900 -0.444 0.000 1.162 304 G CA 0.953 45.888 45.100 -0.276 0.000 0.777 304 G HN 0.431 nan 8.290 nan 0.000 0.539 305 L N 0.376 121.166 121.223 -0.720 0.000 2.056 305 L HA -0.044 4.295 4.340 -0.001 0.000 0.207 305 L C 2.802 179.085 176.870 -0.977 0.000 1.078 305 L CA 0.390 54.606 54.840 -1.040 0.000 0.749 305 L CB -0.330 40.771 42.059 -1.596 0.000 0.901 305 L HN 0.109 nan 8.230 nan 0.000 0.433 306 I N -0.589 119.489 120.570 -0.820 0.000 2.179 306 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 306 I C 2.818 178.755 176.117 -0.299 0.000 1.088 306 I CA 1.482 62.495 61.300 -0.478 0.000 1.357 306 I CB -1.162 36.612 38.000 -0.378 0.000 1.051 306 I HN 0.240 nan 8.210 nan 0.000 0.409 307 S N 0.476 115.991 115.700 -0.308 0.000 2.365 307 S HA -0.245 4.224 4.470 -0.001 0.000 0.225 307 S C 1.919 176.403 174.600 -0.193 0.000 1.039 307 S CA 1.827 59.880 58.200 -0.245 0.000 1.033 307 S CB -0.147 62.930 63.200 -0.206 0.000 0.887 307 S HN 0.463 nan 8.310 nan 0.000 0.447 308 E N -0.151 119.926 120.200 -0.205 0.000 2.085 308 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 308 E C 1.831 178.399 176.600 -0.052 0.000 0.994 308 E CA 1.263 57.581 56.400 -0.137 0.000 0.801 308 E CB -0.327 29.271 29.700 -0.171 0.000 0.743 308 E HN 0.740 nan 8.360 nan 0.000 0.453 309 W N 1.154 122.296 121.300 -0.262 0.000 2.358 309 W HA -0.150 4.509 4.660 -0.000 0.000 0.303 309 W C 1.582 178.049 176.519 -0.086 0.000 1.208 309 W CA 0.985 58.258 57.345 -0.121 0.000 1.274 309 W CB -0.029 29.393 29.460 -0.064 0.000 1.138 309 W HN 0.095 nan 8.180 nan 0.000 0.515 310 L N 1.234 122.389 121.223 -0.113 0.000 2.141 310 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 310 L C 2.754 179.515 176.870 -0.181 0.000 1.094 310 L CA 1.567 56.281 54.840 -0.210 0.000 0.763 310 L CB -0.978 40.886 42.059 -0.324 0.000 0.908 310 L HN -0.042 nan 8.230 nan 0.000 0.437 311 S N -0.594 115.015 115.700 -0.150 0.000 2.500 311 S HA -0.211 4.259 4.470 -0.001 0.000 0.239 311 S C 1.655 176.188 174.600 -0.111 0.000 0.989 311 S CA 0.796 58.931 58.200 -0.108 0.000 0.951 311 S CB -0.309 62.840 63.200 -0.083 0.000 0.759 311 S HN 0.561 nan 8.310 nan 0.000 0.523 312 Q N 0.568 120.265 119.800 -0.172 0.000 2.378 312 Q HA 0.308 4.648 4.340 -0.001 0.000 0.205 312 Q C 1.467 177.380 176.000 -0.145 0.000 0.954 312 Q CA 0.466 56.165 55.803 -0.174 0.000 0.901 312 Q CB -0.155 28.427 28.738 -0.260 0.000 0.981 312 Q HN 0.772 nan 8.270 nan 0.000 0.483 313 G N 0.162 108.892 108.800 -0.117 0.000 2.164 313 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.154 313 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.154 313 G C -0.034 174.851 174.900 -0.024 0.000 1.014 313 G CA -0.406 44.690 45.100 -0.008 0.000 0.683 313 G HN 0.140 nan 8.290 nan 0.000 0.500 314 V N 1.718 121.553 119.914 -0.132 0.000 2.585 314 V HA 0.202 4.322 4.120 -0.001 0.000 0.296 314 V C 1.146 177.257 176.094 0.028 0.000 1.035 314 V CA 0.792 63.034 62.300 -0.096 0.000 1.084 314 V CB 1.294 32.993 31.823 -0.207 0.000 0.953 314 V HN 0.341 nan 8.190 nan 0.000 0.483 315 D N 3.154 123.606 120.400 0.086 0.000 2.301 315 D HA 0.166 4.806 4.640 -0.001 0.000 0.206 315 D C 0.718 177.292 176.300 0.457 0.000 0.979 315 D CA 0.920 55.037 54.000 0.195 0.000 0.874 315 D CB 0.990 41.771 40.800 -0.031 0.000 0.968 315 D HN 0.689 nan 8.370 nan 0.000 0.510 316 G N 0.197 109.241 108.800 0.406 0.000 2.690 316 G HA2 0.517 4.477 3.960 -0.001 0.000 0.291 316 G HA3 0.517 4.477 3.960 -0.001 0.000 0.291 316 G C -1.392 173.813 174.900 0.508 0.000 1.403 316 G CA -0.459 45.023 45.100 0.635 0.000 0.864 316 G HN -0.117 nan 8.290 nan 0.000 0.480 317 I N 0.539 121.441 120.570 0.553 0.000 2.406 317 I HA 0.357 4.527 4.170 -0.001 0.000 0.290 317 I C -1.321 175.047 176.117 0.417 0.000 0.999 317 I CA -0.994 60.574 61.300 0.447 0.000 1.124 317 I CB 1.772 40.046 38.000 0.456 0.000 1.289 317 I HN 0.615 nan 8.210 nan 0.000 0.441 318 W N 8.859 130.281 121.300 0.203 0.000 2.282 318 W HA 0.498 5.158 4.660 -0.001 0.000 0.322 318 W C -1.354 175.273 176.519 0.179 0.000 1.011 318 W CA -1.371 56.085 57.345 0.184 0.000 1.392 318 W CB 0.505 30.109 29.460 0.240 0.000 1.215 318 W HN 0.307 nan 8.180 nan 0.000 0.394 319 L N 6.843 128.298 121.223 0.387 0.000 2.315 319 L HA 0.184 4.524 4.340 -0.001 0.000 0.283 319 L C 0.223 177.212 176.870 0.198 0.000 1.089 319 L CA 0.179 55.152 54.840 0.222 0.000 0.833 319 L CB 0.338 42.511 42.059 0.190 0.000 1.170 319 L HN 0.313 nan 8.230 nan 0.000 0.442 320 D N 3.558 123.973 120.400 0.026 0.000 2.423 320 D HA 0.466 5.106 4.640 -0.001 0.000 0.235 320 D C 0.515 176.832 176.300 0.027 0.000 1.011 320 D CA -0.327 53.709 54.000 0.059 0.000 0.963 320 D CB 1.232 41.937 40.800 -0.160 0.000 1.349 320 D HN 0.355 nan 8.370 nan 0.000 0.508 321 M N 0.575 120.180 119.600 0.008 0.000 2.835 321 M HA -0.238 4.242 4.480 -0.001 0.000 0.177 321 M C 0.101 176.120 176.300 -0.469 0.000 0.640 321 M CA 0.572 55.803 55.300 -0.115 0.000 0.635 321 M CB -2.979 29.630 32.600 0.014 0.000 2.307 321 M HN 0.608 nan 8.290 nan 0.000 0.400 322 N N 0.327 118.830 118.700 -0.328 0.000 2.410 322 N HA 0.150 4.890 4.740 -0.001 0.000 0.231 322 N C 0.746 176.126 175.510 -0.217 0.000 1.172 322 N CA 0.229 53.067 53.050 -0.353 0.000 0.849 322 N CB 0.074 38.488 38.487 -0.122 0.000 1.116 322 N HN 0.293 nan 8.380 nan 0.000 0.485 323 E N 0.784 120.825 120.200 -0.265 0.000 2.118 323 E HA -0.014 4.336 4.350 -0.001 0.000 0.195 323 E C -1.638 174.781 176.600 -0.302 0.000 0.992 323 E CA 0.927 57.205 56.400 -0.204 0.000 0.804 323 E CB -1.101 28.498 29.700 -0.168 0.000 0.741 323 E HN 0.596 nan 8.360 nan 0.000 0.458 324 P HA 0.121 nan 4.420 nan 0.000 0.286 324 P C -0.717 176.218 177.300 -0.608 0.000 1.261 324 P CA 0.009 62.633 63.100 -0.792 0.000 0.821 324 P CB 1.681 32.505 31.700 -1.460 0.000 1.013 325 T N 1.961 116.296 114.554 -0.365 0.000 2.902 325 T HA 0.437 4.787 4.350 -0.001 0.000 0.283 325 T C -0.652 173.924 174.700 -0.206 0.000 1.009 325 T CA 0.125 62.061 62.100 -0.273 0.000 1.051 325 T CB 0.699 69.360 68.868 -0.344 0.000 0.999 325 T HN 0.461 nan 8.240 nan 0.000 0.474 326 D N 0.052 120.264 120.400 -0.314 0.000 2.947 326 D HA 0.410 5.050 4.640 -0.001 0.000 0.224 326 D C -0.708 175.363 176.300 -0.381 0.000 1.230 326 D CA -0.595 53.236 54.000 -0.283 0.000 0.871 326 D CB 0.861 41.669 40.800 0.013 0.000 1.671 326 D HN 0.317 nan 8.370 nan 0.000 0.507 327 F N 1.447 121.389 119.950 -0.014 0.000 2.653 327 F HA 0.134 4.660 4.527 -0.001 0.000 0.304 327 F C 2.367 178.149 175.800 -0.029 0.000 1.092 327 F CA 0.032 58.009 58.000 -0.038 0.000 1.279 327 F CB -0.146 38.798 39.000 -0.093 0.000 1.044 327 F HN 0.394 nan 8.300 nan 0.000 0.564 328 S N 0.207 115.971 115.700 0.106 0.000 2.370 328 S HA -0.241 4.229 4.470 -0.001 0.000 0.226 328 S C 2.196 176.826 174.600 0.051 0.000 1.033 328 S CA 1.086 59.320 58.200 0.055 0.000 1.011 328 S CB -0.318 62.892 63.200 0.016 0.000 0.852 328 S HN 0.278 nan 8.310 nan 0.000 0.457 329 R N 1.790 122.325 120.500 0.059 0.000 2.081 329 R HA 0.213 4.553 4.340 -0.001 0.000 0.235 329 R C 2.729 179.038 176.300 0.016 0.000 1.131 329 R CA 1.395 57.515 56.100 0.033 0.000 0.960 329 R CB -1.056 29.266 30.300 0.035 0.000 0.856 329 R HN 0.578 nan 8.270 nan 0.000 0.436 330 A N 0.322 123.174 122.820 0.053 0.000 1.972 330 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 330 A C 2.109 179.674 177.584 -0.032 0.000 1.169 330 A CA 1.295 53.343 52.037 0.019 0.000 0.635 330 A CB -0.503 18.558 19.000 0.101 0.000 0.810 330 A HN 0.254 nan 8.150 nan 0.000 0.446 331 I N -0.859 119.715 120.570 0.006 0.000 2.500 331 I HA -0.177 3.993 4.170 -0.001 0.000 0.252 331 I C 2.430 178.525 176.117 -0.038 0.000 1.142 331 I CA 0.996 62.287 61.300 -0.016 0.000 1.451 331 I CB -0.304 37.702 38.000 0.011 0.000 1.093 331 I HN 0.412 nan 8.210 nan 0.000 0.430 332 E N 1.050 121.230 120.200 -0.033 0.000 2.051 332 E HA -0.215 4.135 4.350 -0.001 0.000 0.192 332 E C 2.311 178.868 176.600 -0.072 0.000 0.991 332 E CA 1.348 57.725 56.400 -0.038 0.000 0.799 332 E CB -0.040 29.644 29.700 -0.027 0.000 0.748 332 E HN 0.464 nan 8.360 nan 0.000 0.449 333 I N 0.928 121.426 120.570 -0.120 0.000 2.127 333 I HA -0.296 3.874 4.170 -0.001 0.000 0.241 333 I C 2.430 178.366 176.117 -0.302 0.000 1.075 333 I CA 0.972 62.141 61.300 -0.218 0.000 1.334 333 I CB -0.238 37.581 38.000 -0.301 0.000 1.040 333 I HN 0.043 nan 8.210 nan 0.000 0.405 334 R N 0.783 121.103 120.500 -0.299 0.000 2.105 334 R HA -0.151 4.189 4.340 -0.001 0.000 0.239 334 R C 1.717 178.001 176.300 -0.026 0.000 1.135 334 R CA 1.333 57.315 56.100 -0.195 0.000 0.967 334 R CB -1.029 29.223 30.300 -0.081 0.000 0.861 334 R HN 0.429 nan 8.270 nan 0.000 0.442 335 D N 0.313 120.694 120.400 -0.032 0.000 2.075 335 D HA -0.091 4.549 4.640 -0.001 0.000 0.196 335 D C 2.098 178.408 176.300 0.017 0.000 0.985 335 D CA 1.059 55.061 54.000 0.003 0.000 0.834 335 D CB -0.406 40.390 40.800 -0.006 0.000 0.987 335 D HN -0.088 nan 8.370 nan 0.000 0.452 336 V N 0.654 120.568 119.914 -0.001 0.000 2.453 336 V HA -0.190 3.929 4.120 -0.001 0.000 0.252 336 V C 1.937 178.061 176.094 0.051 0.000 1.068 336 V CA 1.342 63.651 62.300 0.015 0.000 1.070 336 V CB -0.346 31.476 31.823 -0.001 0.000 0.664 336 V HN 0.223 nan 8.190 nan 0.000 0.461 337 L N -0.285 120.988 121.223 0.084 0.000 3.014 337 L HA 0.183 4.523 4.340 -0.001 0.000 0.263 337 L C 2.143 179.199 176.870 0.310 0.000 1.207 337 L CA 0.434 55.394 54.840 0.200 0.000 1.017 337 L CB 0.069 42.312 42.059 0.306 0.000 1.360 337 L HN 0.350 nan 8.230 nan 0.000 0.560 338 S N -0.398 115.435 115.700 0.222 0.000 2.365 338 S HA -0.214 4.256 4.470 -0.001 0.000 0.221 338 S C 1.567 176.247 174.600 0.133 0.000 1.037 338 S CA 1.687 60.015 58.200 0.213 0.000 1.060 338 S CB -0.661 62.612 63.200 0.123 0.000 0.974 338 S HN 0.360 nan 8.310 nan 0.000 0.427 339 S N 2.128 117.879 115.700 0.085 0.000 3.009 339 S HA 0.360 4.829 4.470 -0.001 0.000 0.243 339 S C -0.324 174.297 174.600 0.034 0.000 1.012 339 S CA -0.222 58.007 58.200 0.048 0.000 1.113 339 S CB -0.816 62.407 63.200 0.038 0.000 0.827 339 S HN 0.424 nan 8.310 nan 0.000 0.495 340 L N 3.234 124.478 121.223 0.035 0.000 2.319 340 L HA 0.441 4.781 4.340 -0.001 0.000 0.281 340 L C -2.277 174.554 176.870 -0.065 0.000 1.005 340 L CA -2.069 52.775 54.840 0.006 0.000 0.828 340 L CB 1.117 43.204 42.059 0.047 0.000 1.227 340 L HN -0.134 nan 8.230 nan 0.000 0.415 341 P HA 0.094 nan 4.420 nan 0.000 0.238 341 P C -1.011 176.223 177.300 -0.111 0.000 1.729 341 P CA 0.261 63.312 63.100 -0.082 0.000 1.055 341 P CB 0.038 31.711 31.700 -0.046 0.000 1.980 342 V N 1.474 121.269 119.914 -0.199 0.000 2.888 342 V HA 0.235 4.355 4.120 -0.001 0.000 0.309 342 V C -0.050 175.806 176.094 -0.398 0.000 1.114 342 V CA -0.833 61.340 62.300 -0.212 0.000 0.940 342 V CB 2.728 34.473 31.823 -0.129 0.000 1.021 342 V HN 0.235 nan 8.190 nan 0.000 0.426 343 Q N 2.838 122.484 119.800 -0.257 0.000 2.295 343 Q HA 0.432 4.771 4.340 -0.001 0.000 0.259 343 Q C -1.135 174.772 176.000 -0.155 0.000 0.976 343 Q CA -0.394 55.258 55.803 -0.252 0.000 0.923 343 Q CB 0.566 29.242 28.738 -0.104 0.000 1.185 343 Q HN 0.549 nan 8.270 nan 0.000 0.410 344 F N 2.155 122.116 119.950 0.017 0.000 2.450 344 F HA 0.209 4.736 4.527 -0.001 0.000 0.339 344 F C 1.014 176.826 175.800 0.019 0.000 1.146 344 F CA -0.312 57.700 58.000 0.019 0.000 1.267 344 F CB 0.292 39.306 39.000 0.023 0.000 1.178 344 F HN 0.449 nan 8.300 nan 0.000 0.585 345 R N 2.080 122.723 120.500 0.238 0.000 2.357 345 R HA 0.069 4.409 4.340 -0.001 0.000 0.296 345 R C -0.616 175.757 176.300 0.120 0.000 1.052 345 R CA -0.467 55.712 56.100 0.133 0.000 0.988 345 R CB 0.548 30.906 30.300 0.097 0.000 1.025 345 R HN 0.711 nan 8.270 nan 0.000 0.469 346 D N 3.522 123.977 120.400 0.093 0.000 2.453 346 D HA -0.006 4.634 4.640 -0.001 0.000 0.223 346 D C -1.171 175.171 176.300 0.070 0.000 1.183 346 D CA -0.142 53.907 54.000 0.082 0.000 0.933 346 D CB 0.539 41.378 40.800 0.066 0.000 1.038 346 D HN 0.394 nan 8.370 nan 0.000 0.513 347 D N 3.558 123.999 120.400 0.067 0.000 2.443 347 D HA 0.103 4.742 4.640 -0.001 0.000 0.221 347 D C 1.327 177.668 176.300 0.069 0.000 1.097 347 D CA -0.515 53.521 54.000 0.060 0.000 0.865 347 D CB 0.697 41.526 40.800 0.049 0.000 1.034 347 D HN 0.204 nan 8.370 nan 0.000 0.511 348 R N 2.864 123.406 120.500 0.071 0.000 2.117 348 R HA -0.099 4.240 4.340 -0.001 0.000 0.243 348 R C 1.764 178.112 176.300 0.081 0.000 1.143 348 R CA 0.641 56.787 56.100 0.077 0.000 0.968 348 R CB -0.437 29.898 30.300 0.058 0.000 0.863 348 R HN 0.562 nan 8.270 nan 0.000 0.444 349 L N 0.474 121.747 121.223 0.083 0.000 2.349 349 L HA -0.111 4.228 4.340 -0.001 0.000 0.220 349 L C 2.353 179.280 176.870 0.095 0.000 1.130 349 L CA 0.529 55.432 54.840 0.105 0.000 0.791 349 L CB -0.411 41.702 42.059 0.090 0.000 0.918 349 L HN 0.003 nan 8.230 nan 0.000 0.444 350 V N 0.091 120.051 119.914 0.077 0.000 2.913 350 V HA -0.187 3.933 4.120 -0.001 0.000 0.260 350 V C 2.330 178.473 176.094 0.081 0.000 1.098 350 V CA 2.074 64.416 62.300 0.070 0.000 1.121 350 V CB -0.324 31.533 31.823 0.057 0.000 0.714 350 V HN 0.700 nan 8.190 nan 0.000 0.487 351 T N -2.433 112.172 114.554 0.085 0.000 3.107 351 T HA 0.077 4.427 4.350 -0.001 0.000 0.249 351 T C 0.847 175.543 174.700 -0.007 0.000 1.096 351 T CA 0.513 62.643 62.100 0.050 0.000 1.012 351 T CB -0.565 68.352 68.868 0.081 0.000 0.977 351 T HN 0.635 nan 8.240 nan 0.000 0.527 352 T N -0.355 114.226 114.554 0.045 0.000 2.824 352 T HA 0.567 4.917 4.350 -0.001 0.000 0.277 352 T C -0.135 174.641 174.700 0.126 0.000 0.975 352 T CA -0.878 61.246 62.100 0.041 0.000 0.966 352 T CB 0.223 69.155 68.868 0.106 0.000 1.054 352 T HN 0.004 nan 8.240 nan 0.000 0.533 353 F N 2.733 122.534 119.950 -0.249 0.000 2.506 353 F HA 0.339 4.866 4.527 -0.001 0.000 0.351 353 F C -1.387 174.218 175.800 -0.326 0.000 1.136 353 F CA -2.402 55.316 58.000 -0.470 0.000 1.298 353 F CB -0.308 38.044 39.000 -1.079 0.000 1.145 353 F HN 0.430 nan 8.300 nan 0.000 0.593 354 P HA 0.011 nan 4.420 nan 0.000 0.272 354 P C 0.173 177.388 177.300 -0.142 0.000 1.240 354 P CA -0.148 62.857 63.100 -0.159 0.000 0.791 354 P CB 0.918 32.509 31.700 -0.182 0.000 0.978 355 D N 0.534 120.900 120.400 -0.057 0.000 2.263 355 D HA -0.122 4.517 4.640 -0.001 0.000 0.208 355 D C 1.215 177.474 176.300 -0.068 0.000 0.971 355 D CA 1.116 55.101 54.000 -0.024 0.000 0.867 355 D CB -0.256 40.536 40.800 -0.012 0.000 0.929 355 D HN 0.504 nan 8.370 nan 0.000 0.492 356 N N 0.504 119.129 118.700 -0.125 0.000 2.322 356 N HA -0.043 4.696 4.740 -0.001 0.000 0.194 356 N C 0.228 175.623 175.510 -0.192 0.000 1.126 356 N CA -0.025 52.948 53.050 -0.128 0.000 0.845 356 N CB 0.016 38.444 38.487 -0.099 0.000 0.976 356 N HN -0.101 nan 8.380 nan 0.000 0.475 357 V N 1.515 121.255 119.914 -0.291 0.000 2.686 357 V HA 0.273 4.393 4.120 -0.001 0.000 0.295 357 V C 0.584 176.518 176.094 -0.266 0.000 1.055 357 V CA -0.719 61.349 62.300 -0.388 0.000 1.050 357 V CB 1.229 32.658 31.823 -0.657 0.000 0.984 357 V HN 0.245 nan 8.190 nan 0.000 0.482 358 V N 2.193 121.910 119.914 -0.328 0.000 3.074 358 V HA 0.750 4.870 4.120 -0.001 0.000 0.314 358 V C -0.767 175.018 176.094 -0.514 0.000 1.117 358 V CA -0.673 61.419 62.300 -0.348 0.000 1.014 358 V CB 2.348 34.005 31.823 -0.276 0.000 1.057 358 V HN 0.866 nan 8.190 nan 0.000 0.438 359 H N 0.561 119.533 119.070 -0.163 0.000 2.949 359 H HA 0.549 5.105 4.556 -0.001 0.000 0.356 359 H C -1.860 173.274 175.328 -0.322 0.000 1.212 359 H CA -0.454 55.551 56.048 -0.071 0.000 1.136 359 H CB 2.226 31.960 29.762 -0.047 0.000 1.869 359 H HN 0.775 nan 8.280 nan 0.000 0.556 360 Y N 1.266 121.674 120.300 0.180 0.000 2.464 360 Y HA 0.210 4.760 4.550 -0.001 0.000 0.326 360 Y C -0.346 175.616 175.900 0.102 0.000 0.969 360 Y CA -0.648 57.508 58.100 0.094 0.000 1.270 360 Y CB 1.010 39.513 38.460 0.072 0.000 1.103 360 Y HN 0.214 nan 8.280 nan 0.000 0.491 361 L N 4.642 125.957 121.223 0.154 0.000 2.282 361 L HA 0.529 4.868 4.340 -0.001 0.000 0.288 361 L C 0.443 177.475 176.870 0.270 0.000 1.033 361 L CA -0.601 54.336 54.840 0.162 0.000 0.807 361 L CB 0.581 42.701 42.059 0.102 0.000 1.209 361 L HN 0.666 nan 8.230 nan 0.000 0.423 362 R N 4.479 125.087 120.500 0.181 0.000 3.225 362 R HA -0.233 4.107 4.340 -0.001 0.000 0.245 362 R C 1.036 177.472 176.300 0.227 0.000 0.928 362 R CA 0.670 56.879 56.100 0.181 0.000 0.632 362 R CB -2.109 28.278 30.300 0.144 0.000 1.038 362 R HN 1.243 nan 8.270 nan 0.000 0.461 363 G N -0.218 108.699 108.800 0.195 0.000 2.189 363 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.267 363 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.267 363 G C 0.091 175.105 174.900 0.190 0.000 0.975 363 G CA 0.964 46.171 45.100 0.179 0.000 0.644 363 G HN 0.486 nan 8.290 nan 0.000 0.537 364 K N 0.127 120.629 120.400 0.170 0.000 2.182 364 K HA 0.563 4.883 4.320 -0.001 0.000 0.262 364 K C 0.319 176.871 176.600 -0.079 0.000 0.957 364 K CA -1.063 55.220 56.287 -0.006 0.000 0.842 364 K CB 0.817 33.153 32.500 -0.274 0.000 1.099 364 K HN 0.171 nan 8.250 nan 0.000 0.438 365 R N 3.161 123.548 120.500 -0.189 0.000 2.267 365 R HA 0.208 4.547 4.340 -0.001 0.000 0.319 365 R C -0.657 175.449 176.300 -0.322 0.000 1.067 365 R CA -0.388 55.448 56.100 -0.440 0.000 0.936 365 R CB 0.469 30.537 30.300 -0.386 0.000 1.006 365 R HN 0.458 nan 8.270 nan 0.000 0.452 366 V N 0.383 120.114 119.914 -0.305 0.000 3.007 366 V HA 0.519 4.639 4.120 -0.001 0.000 0.311 366 V C -0.745 175.254 176.094 -0.158 0.000 1.120 366 V CA -1.339 60.837 62.300 -0.207 0.000 0.980 366 V CB 2.026 33.752 31.823 -0.162 0.000 1.033 366 V HN 0.668 nan 8.190 nan 0.000 0.429 367 K N 0.901 121.236 120.400 -0.109 0.000 2.326 367 K HA 0.200 4.520 4.320 -0.001 0.000 0.275 367 K C 0.931 177.544 176.600 0.022 0.000 1.018 367 K CA -0.037 56.218 56.287 -0.055 0.000 0.962 367 K CB 0.686 33.160 32.500 -0.043 0.000 0.953 367 K HN 0.972 nan 8.250 nan 0.000 0.475 368 H N 3.039 122.106 119.070 -0.004 0.000 2.352 368 H HA -0.177 4.378 4.556 -0.001 0.000 0.299 368 H C 1.515 176.899 175.328 0.092 0.000 1.097 368 H CA 2.496 58.621 56.048 0.128 0.000 1.311 368 H CB 0.296 30.124 29.762 0.110 0.000 1.377 368 H HN 0.770 nan 8.280 nan 0.000 0.504 369 E N -0.059 120.171 120.200 0.051 0.000 2.333 369 E HA -0.169 4.181 4.350 -0.001 0.000 0.198 369 E C 1.454 178.070 176.600 0.028 0.000 1.007 369 E CA 0.956 57.404 56.400 0.081 0.000 0.845 369 E CB 0.021 29.792 29.700 0.118 0.000 0.766 369 E HN 0.365 nan 8.360 nan 0.000 0.507 370 K N 0.914 121.294 120.400 -0.033 0.000 2.262 370 K HA 0.018 4.338 4.320 -0.001 0.000 0.200 370 K C 1.986 178.544 176.600 -0.070 0.000 1.049 370 K CA 1.191 57.460 56.287 -0.031 0.000 0.979 370 K CB 0.814 33.295 32.500 -0.031 0.000 0.773 370 K HN 0.323 nan 8.250 nan 0.000 0.474 371 V N -2.465 117.350 119.914 -0.166 0.000 3.330 371 V HA 0.267 4.387 4.120 -0.001 0.000 0.309 371 V C 1.915 177.918 176.094 -0.153 0.000 1.481 371 V CA -0.255 61.926 62.300 -0.198 0.000 1.068 371 V CB 0.219 31.772 31.823 -0.451 0.000 0.935 371 V HN 0.002 nan 8.190 nan 0.000 0.453 372 R N 1.989 122.277 120.500 -0.352 0.000 2.162 372 R HA -0.264 4.076 4.340 -0.001 0.000 0.245 372 R C 1.988 178.157 176.300 -0.218 0.000 1.129 372 R CA 2.852 58.634 56.100 -0.530 0.000 0.940 372 R CB -0.419 29.401 30.300 -0.800 0.000 0.875 372 R HN 0.630 nan 8.270 nan 0.000 0.437 373 N N 0.131 118.709 118.700 -0.203 0.000 2.348 373 N HA -0.156 4.584 4.740 -0.001 0.000 0.185 373 N C 1.268 176.729 175.510 -0.082 0.000 1.019 373 N CA 1.368 54.353 53.050 -0.110 0.000 0.880 373 N CB -0.245 38.248 38.487 0.009 0.000 0.965 373 N HN 0.420 nan 8.380 nan 0.000 0.437 374 A N -0.502 122.235 122.820 -0.138 0.000 2.218 374 A HA -0.018 4.301 4.320 -0.001 0.000 0.209 374 A C 1.849 179.459 177.584 0.043 0.000 1.168 374 A CA -0.115 51.891 52.037 -0.050 0.000 0.804 374 A CB -0.496 18.525 19.000 0.035 0.000 0.834 374 A HN 0.294 nan 8.150 nan 0.000 0.482 375 Y N 2.069 122.312 120.300 -0.095 0.000 2.081 375 Y HA -0.191 4.359 4.550 -0.001 0.000 0.280 375 Y C -0.417 175.341 175.900 -0.237 0.000 1.163 375 Y CA 2.892 60.821 58.100 -0.285 0.000 1.135 375 Y CB -0.673 37.694 38.460 -0.155 0.000 0.970 375 Y HN 0.319 nan 8.280 nan 0.000 0.498 376 P HA -0.190 nan 4.420 nan 0.000 0.218 376 P C 1.828 179.015 177.300 -0.188 0.000 1.149 376 P CA 1.358 64.387 63.100 -0.119 0.000 0.817 376 P CB -0.196 31.494 31.700 -0.017 0.000 0.785 377 L N -0.505 120.641 121.223 -0.128 0.000 2.017 377 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 377 L C 2.540 179.211 176.870 -0.332 0.000 1.073 377 L CA 1.950 56.703 54.840 -0.146 0.000 0.745 377 L CB -1.737 40.257 42.059 -0.108 0.000 0.894 377 L HN -0.182 nan 8.230 nan 0.000 0.432 378 Y N 0.079 120.162 120.300 -0.361 0.000 2.293 378 Y HA -0.164 4.386 4.550 -0.001 0.000 0.291 378 Y C 2.709 178.219 175.900 -0.649 0.000 1.137 378 Y CA 1.625 59.455 58.100 -0.450 0.000 1.202 378 Y CB -0.351 37.782 38.460 -0.544 0.000 0.990 378 Y HN 0.428 nan 8.280 nan 0.000 0.537 379 E N 0.149 119.848 120.200 -0.834 0.000 2.072 379 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 379 E C 2.335 178.523 176.600 -0.686 0.000 0.985 379 E CA 0.962 56.506 56.400 -1.426 0.000 0.801 379 E CB -0.139 28.633 29.700 -1.546 0.000 0.750 379 E HN 0.387 nan 8.360 nan 0.000 0.452 380 A N 1.486 124.054 122.820 -0.420 0.000 1.933 380 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 380 A C 2.229 179.561 177.584 -0.419 0.000 1.175 380 A CA 1.585 53.485 52.037 -0.229 0.000 0.628 380 A CB -0.614 18.344 19.000 -0.070 0.000 0.814 380 A HN 0.469 nan 8.150 nan 0.000 0.444 381 M N -0.308 118.858 119.600 -0.723 0.000 2.086 381 M HA -0.159 4.320 4.480 -0.001 0.000 0.261 381 M C 2.267 178.330 176.300 -0.395 0.000 1.067 381 M CA 1.863 56.507 55.300 -1.094 0.000 1.116 381 M CB -0.259 31.905 32.600 -0.727 0.000 1.348 381 M HN 0.413 nan 8.290 nan 0.000 0.407 382 A N -0.468 122.244 122.820 -0.180 0.000 1.930 382 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 382 A C 2.024 179.764 177.584 0.260 0.000 1.175 382 A CA 2.158 54.254 52.037 0.099 0.000 0.627 382 A CB -1.164 17.948 19.000 0.186 0.000 0.815 382 A HN 0.602 nan 8.150 nan 0.000 0.443 383 T N -1.026 113.678 114.554 0.249 0.000 2.777 383 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 383 T C 1.601 176.506 174.700 0.342 0.000 1.040 383 T CA 1.374 63.692 62.100 0.363 0.000 1.141 383 T CB -0.368 68.725 68.868 0.376 0.000 0.868 383 T HN 0.439 nan 8.240 nan 0.000 0.444 384 F N 2.105 122.075 119.950 0.033 0.000 2.102 384 F HA -0.042 4.485 4.527 -0.001 0.000 0.298 384 F C 2.355 178.227 175.800 0.121 0.000 1.105 384 F CA 1.399 59.412 58.000 0.022 0.000 1.239 384 F CB -0.136 38.778 39.000 -0.143 0.000 0.991 384 F HN -0.046 nan 8.300 nan 0.000 0.474 385 K N -0.055 120.485 120.400 0.233 0.000 2.211 385 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 385 K C 2.259 178.901 176.600 0.070 0.000 1.047 385 K CA 1.291 57.666 56.287 0.147 0.000 0.935 385 K CB -0.712 31.863 32.500 0.125 0.000 0.728 385 K HN 0.411 nan 8.250 nan 0.000 0.452 386 G N 0.246 109.097 108.800 0.086 0.000 2.422 386 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.218 386 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.218 386 G C 1.158 175.992 174.900 -0.111 0.000 1.146 386 G CA 0.538 45.613 45.100 -0.042 0.000 0.769 386 G HN 0.243 nan 8.290 nan 0.000 0.547 387 F N 0.937 120.797 119.950 -0.150 0.000 2.146 387 F HA 0.075 4.601 4.527 -0.001 0.000 0.298 387 F C 2.852 178.538 175.800 -0.190 0.000 1.096 387 F CA 0.957 58.851 58.000 -0.177 0.000 1.275 387 F CB -0.067 38.763 39.000 -0.283 0.000 1.008 387 F HN -0.087 nan 8.300 nan 0.000 0.480 388 R N -0.050 120.435 120.500 -0.026 0.000 2.091 388 R HA -0.112 4.227 4.340 -0.001 0.000 0.238 388 R C 2.115 178.296 176.300 -0.198 0.000 1.136 388 R CA 1.773 57.834 56.100 -0.065 0.000 0.959 388 R CB -1.784 28.514 30.300 -0.002 0.000 0.856 388 R HN 0.218 nan 8.270 nan 0.000 0.437 389 T N 0.908 115.355 114.554 -0.180 0.000 2.803 389 T HA -0.069 4.281 4.350 -0.001 0.000 0.269 389 T C 1.655 176.139 174.700 -0.359 0.000 1.052 389 T CA 1.549 63.494 62.100 -0.258 0.000 1.136 389 T CB -0.099 68.678 68.868 -0.151 0.000 0.864 389 T HN 0.203 nan 8.240 nan 0.000 0.467 390 S N 0.007 115.557 115.700 -0.250 0.000 2.593 390 S HA 0.027 4.497 4.470 -0.001 0.000 0.217 390 S C 0.064 174.631 174.600 -0.053 0.000 0.966 390 S CA -0.274 57.830 58.200 -0.161 0.000 0.914 390 S CB -0.215 62.891 63.200 -0.157 0.000 0.776 390 S HN 0.508 nan 8.310 nan 0.000 0.523 391 H N 0.386 119.465 119.070 0.015 0.000 2.713 391 H HA -0.134 4.422 4.556 -0.001 0.000 0.311 391 H C 0.303 175.665 175.328 0.056 0.000 1.175 391 H CA 0.643 56.712 56.048 0.036 0.000 1.143 391 H CB -1.199 28.578 29.762 0.026 0.000 1.434 391 H HN 0.250 nan 8.280 nan 0.000 0.418 392 R N 1.632 122.211 120.500 0.131 0.000 2.198 392 R HA 0.213 4.553 4.340 -0.001 0.000 0.339 392 R C 1.070 177.486 176.300 0.194 0.000 1.020 392 R CA -0.355 55.854 56.100 0.182 0.000 0.864 392 R CB 0.355 30.794 30.300 0.231 0.000 1.105 392 R HN 0.171 nan 8.270 nan 0.000 0.463 393 N N 2.434 121.242 118.700 0.180 0.000 2.290 393 N HA -0.068 4.671 4.740 -0.001 0.000 0.179 393 N C -0.565 175.052 175.510 0.178 0.000 1.016 393 N CA 0.799 53.946 53.050 0.161 0.000 0.871 393 N CB 0.312 38.890 38.487 0.152 0.000 0.987 393 N HN 0.606 nan 8.380 nan 0.000 0.431 394 E N 1.464 121.802 120.200 0.230 0.000 2.003 394 E HA 0.229 4.579 4.350 -0.001 0.000 0.279 394 E C -0.268 176.485 176.600 0.254 0.000 1.132 394 E CA 0.037 56.587 56.400 0.250 0.000 0.888 394 E CB 0.779 30.713 29.700 0.391 0.000 1.056 394 E HN 0.217 nan 8.360 nan 0.000 0.399 395 I N 3.336 123.961 120.570 0.092 0.000 2.359 395 I HA 0.339 4.509 4.170 -0.001 0.000 0.294 395 I C -0.566 175.514 176.117 -0.062 0.000 0.987 395 I CA -0.819 60.326 61.300 -0.258 0.000 1.225 395 I CB 0.782 38.448 38.000 -0.557 0.000 1.366 395 I HN 0.391 nan 8.210 nan 0.000 0.466 396 F N 8.138 127.875 119.950 -0.356 0.000 2.579 396 F HA 0.633 5.160 4.527 -0.001 0.000 0.325 396 F C -1.263 174.474 175.800 -0.105 0.000 1.162 396 F CA -0.476 57.431 58.000 -0.156 0.000 0.946 396 F CB 0.946 39.885 39.000 -0.101 0.000 1.211 396 F HN 0.180 nan 8.300 nan 0.000 0.447 397 I N 7.176 127.257 120.570 -0.817 0.000 2.499 397 I HA 0.376 4.546 4.170 -0.001 0.000 0.288 397 I C -1.438 174.345 176.117 -0.556 0.000 1.048 397 I CA -0.767 60.247 61.300 -0.477 0.000 1.062 397 I CB 2.138 40.014 38.000 -0.208 0.000 1.238 397 I HN 0.486 nan 8.210 nan 0.000 0.426 398 L N 5.009 126.036 121.223 -0.328 0.000 2.322 398 L HA 0.625 4.965 4.340 -0.001 0.000 0.281 398 L C -0.512 176.503 176.870 0.241 0.000 1.014 398 L CA -0.090 54.676 54.840 -0.124 0.000 0.815 398 L CB 1.943 43.918 42.059 -0.140 0.000 1.247 398 L HN 0.639 nan 8.230 nan 0.000 0.421 399 S N 3.500 119.376 115.700 0.293 0.000 2.548 399 S HA 0.446 4.915 4.470 -0.001 0.000 0.286 399 S C 0.428 175.225 174.600 0.328 0.000 1.098 399 S CA -0.652 57.735 58.200 0.312 0.000 0.930 399 S CB 2.268 65.553 63.200 0.141 0.000 1.070 399 S HN 0.846 nan 8.310 nan 0.000 0.480 400 R N 2.096 122.713 120.500 0.194 0.000 2.090 400 R HA 0.391 4.731 4.340 -0.001 0.000 0.219 400 R C 0.811 176.960 176.300 -0.253 0.000 1.100 400 R CA 1.044 56.937 56.100 -0.345 0.000 0.991 400 R CB -0.247 29.754 30.300 -0.498 0.000 0.893 400 R HN 0.698 nan 8.270 nan 0.000 0.443 401 A N -0.437 122.333 122.820 -0.083 0.000 2.261 401 A HA 0.727 5.047 4.320 -0.001 0.000 0.323 401 A C -0.252 177.342 177.584 0.016 0.000 1.107 401 A CA -0.087 51.942 52.037 -0.014 0.000 0.883 401 A CB 1.387 20.381 19.000 -0.009 0.000 1.251 401 A HN 0.451 nan 8.150 nan 0.000 0.502 402 G N -2.164 106.667 108.800 0.053 0.000 2.495 402 G HA2 0.530 4.489 3.960 -0.001 0.000 0.294 402 G HA3 0.530 4.489 3.960 -0.001 0.000 0.294 402 G C -1.918 173.093 174.900 0.185 0.000 1.397 402 G CA -0.161 44.990 45.100 0.084 0.000 0.790 402 G HN 1.485 nan 8.290 nan 0.000 0.486 403 Y N -0.276 120.047 120.300 0.037 0.000 2.670 403 Y HA 0.684 5.233 4.550 -0.001 0.000 0.334 403 Y C 0.191 176.150 175.900 0.099 0.000 1.185 403 Y CA -0.344 57.812 58.100 0.094 0.000 1.053 403 Y CB 1.351 39.880 38.460 0.115 0.000 1.298 403 Y HN 1.356 nan 8.280 nan 0.000 0.459 404 A N 1.538 123.918 122.820 -0.733 0.000 2.580 404 A HA 0.389 4.708 4.320 -0.001 0.000 0.244 404 A C 1.294 178.778 177.584 -0.167 0.000 1.045 404 A CA 1.530 53.302 52.037 -0.442 0.000 0.761 404 A CB -1.403 17.296 19.000 -0.501 0.000 0.962 404 A HN 2.066 nan 8.150 nan 0.000 0.512 405 G N 1.653 110.327 108.800 -0.210 0.000 2.213 405 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.226 405 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.226 405 G C 0.873 175.662 174.900 -0.185 0.000 0.992 405 G CA 0.602 45.593 45.100 -0.181 0.000 0.632 405 G HN 1.370 nan 8.290 nan 0.000 0.511 406 I N 1.991 122.504 120.570 -0.095 0.000 2.423 406 I HA -0.139 4.031 4.170 -0.001 0.000 0.254 406 I C 2.815 178.852 176.117 -0.132 0.000 1.151 406 I CA 2.518 63.788 61.300 -0.051 0.000 1.421 406 I CB -0.126 37.877 38.000 0.006 0.000 1.079 406 I HN 0.527 nan 8.210 nan 0.000 0.431 407 Q N 0.746 120.431 119.800 -0.190 0.000 2.297 407 Q HA -0.237 4.102 4.340 -0.001 0.000 0.208 407 Q C 2.003 177.872 176.000 -0.218 0.000 0.981 407 Q CA 1.437 57.122 55.803 -0.196 0.000 0.876 407 Q CB -0.837 27.740 28.738 -0.268 0.000 0.921 407 Q HN 0.515 nan 8.270 nan 0.000 0.446 408 R N -0.465 119.735 120.500 -0.500 0.000 2.152 408 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 408 R C 0.883 176.616 176.300 -0.945 0.000 1.117 408 R CA 1.771 57.377 56.100 -0.824 0.000 0.981 408 R CB -0.095 29.301 30.300 -1.507 0.000 0.870 408 R HN 0.413 nan 8.270 nan 0.000 0.451 409 Y N -2.179 117.912 120.300 -0.348 0.000 2.432 409 Y HA 0.524 5.073 4.550 -0.001 0.000 0.252 409 Y C 0.368 176.017 175.900 -0.419 0.000 1.097 409 Y CA -0.384 57.373 58.100 -0.570 0.000 1.250 409 Y CB 0.817 39.024 38.460 -0.422 0.000 1.245 409 Y HN -0.037 nan 8.280 nan 0.000 0.522 410 A N -0.692 122.175 122.820 0.078 0.000 2.609 410 A HA 0.647 4.966 4.320 -0.001 0.000 0.291 410 A C -1.612 176.197 177.584 0.375 0.000 1.096 410 A CA -0.638 51.523 52.037 0.206 0.000 0.684 410 A CB 0.612 19.666 19.000 0.089 0.000 1.282 410 A HN -0.045 nan 8.150 nan 0.000 0.412 411 F N -0.040 119.944 119.950 0.056 0.000 2.378 411 F HA 0.696 5.223 4.527 -0.001 0.000 0.319 411 F C 0.508 176.292 175.800 -0.027 0.000 1.155 411 F CA -0.294 57.711 58.000 0.009 0.000 1.157 411 F CB 1.066 39.899 39.000 -0.277 0.000 1.252 411 F HN 0.320 nan 8.300 nan 0.000 0.550 412 I N 1.038 121.713 120.570 0.175 0.000 2.569 412 I HA 0.227 4.397 4.170 -0.001 0.000 0.290 412 I C -1.445 174.810 176.117 0.229 0.000 1.088 412 I CA -0.685 60.708 61.300 0.156 0.000 1.047 412 I CB 1.943 39.972 38.000 0.050 0.000 1.237 412 I HN 0.719 nan 8.210 nan 0.000 0.421 413 W N 4.729 126.030 121.300 0.001 0.000 2.706 413 W HA 0.524 5.184 4.660 -0.000 0.000 0.346 413 W C 0.675 177.237 176.519 0.072 0.000 1.071 413 W CA -0.745 56.659 57.345 0.097 0.000 1.206 413 W CB 0.950 30.503 29.460 0.156 0.000 1.413 413 W HN 0.566 nan 8.180 nan 0.000 0.542 414 T N 1.140 115.650 114.554 -0.074 0.000 3.400 414 T HA 0.373 4.723 4.350 -0.001 0.000 0.254 414 T C 0.961 175.519 174.700 -0.237 0.000 1.153 414 T CA 0.480 62.496 62.100 -0.140 0.000 1.012 414 T CB -1.232 67.718 68.868 0.136 0.000 0.994 414 T HN 1.735 nan 8.240 nan 0.000 0.555 415 G N 1.913 110.078 108.800 -1.059 0.000 2.562 415 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.250 415 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.250 415 G C -0.738 174.267 174.900 0.174 0.000 1.269 415 G CA -0.226 44.469 45.100 -0.675 0.000 0.919 415 G HN 0.470 nan 8.290 nan 0.000 0.574 416 D N 2.614 123.181 120.400 0.279 0.000 2.688 416 D HA 0.224 4.864 4.640 -0.001 0.000 0.228 416 D C 1.130 177.568 176.300 0.230 0.000 1.116 416 D CA 0.110 54.251 54.000 0.235 0.000 1.023 416 D CB -0.688 40.213 40.800 0.168 0.000 1.100 416 D HN 0.628 nan 8.370 nan 0.000 0.487 417 N N -0.304 118.520 118.700 0.206 0.000 2.444 417 N HA 0.038 4.778 4.740 -0.001 0.000 0.255 417 N C -0.286 175.257 175.510 0.055 0.000 1.255 417 N CA -0.082 52.933 53.050 -0.058 0.000 0.933 417 N CB 0.571 39.160 38.487 0.170 0.000 1.143 417 N HN -0.194 nan 8.380 nan 0.000 0.453 418 T N 1.913 116.461 114.554 -0.009 0.000 2.758 418 T HA 0.350 4.700 4.350 -0.001 0.000 0.285 418 T C -2.469 172.274 174.700 0.072 0.000 0.981 418 T CA -1.131 61.012 62.100 0.071 0.000 0.965 418 T CB 1.420 70.379 68.868 0.151 0.000 0.927 418 T HN 0.491 nan 8.240 nan 0.000 0.448 419 P HA 0.230 nan 4.420 nan 0.000 0.271 419 P C -0.623 176.722 177.300 0.073 0.000 1.226 419 P CA -0.041 63.094 63.100 0.058 0.000 0.765 419 P CB 0.528 32.174 31.700 -0.089 0.000 0.835 420 S N 1.903 117.666 115.700 0.105 0.000 2.611 420 S HA 0.205 4.674 4.470 -0.001 0.000 0.270 420 S C 0.014 174.586 174.600 -0.046 0.000 1.131 420 S CA -0.828 57.396 58.200 0.040 0.000 0.826 420 S CB -0.114 63.150 63.200 0.106 0.000 1.095 420 S HN 0.308 nan 8.310 nan 0.000 0.461 421 W N 1.091 122.411 121.300 0.033 0.000 2.363 421 W HA 0.043 4.702 4.660 -0.001 0.000 0.296 421 W C 1.609 178.119 176.519 -0.015 0.000 1.212 421 W CA 1.524 58.862 57.345 -0.013 0.000 1.260 421 W CB -0.304 29.155 29.460 -0.002 0.000 1.131 421 W HN 0.747 nan 8.180 nan 0.000 0.530 422 D N -0.374 120.149 120.400 0.205 0.000 2.178 422 D HA -0.187 4.452 4.640 -0.001 0.000 0.202 422 D C 1.456 177.803 176.300 0.079 0.000 0.974 422 D CA 1.617 55.690 54.000 0.121 0.000 0.841 422 D CB -0.625 40.228 40.800 0.088 0.000 0.953 422 D HN 0.179 nan 8.370 nan 0.000 0.478 423 D N 0.081 120.528 120.400 0.078 0.000 2.218 423 D HA -0.091 4.548 4.640 -0.001 0.000 0.204 423 D C 2.183 178.523 176.300 0.067 0.000 0.976 423 D CA 0.446 54.509 54.000 0.104 0.000 0.853 423 D CB -0.050 40.862 40.800 0.187 0.000 0.939 423 D HN 0.135 nan 8.370 nan 0.000 0.481 424 L N 0.008 121.192 121.223 -0.065 0.000 2.012 424 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 424 L C 2.499 179.397 176.870 0.046 0.000 1.073 424 L CA 1.306 56.076 54.840 -0.116 0.000 0.748 424 L CB -0.414 41.539 42.059 -0.177 0.000 0.891 424 L HN 0.046 nan 8.230 nan 0.000 0.431 425 K N -0.171 120.269 120.400 0.066 0.000 2.057 425 K HA -0.130 4.189 4.320 -0.001 0.000 0.206 425 K C 2.139 178.795 176.600 0.092 0.000 1.050 425 K CA 0.914 57.253 56.287 0.087 0.000 0.935 425 K CB -0.151 32.394 32.500 0.074 0.000 0.715 425 K HN 0.244 nan 8.250 nan 0.000 0.439 426 L N 1.298 122.571 121.223 0.084 0.000 2.012 426 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 426 L C 2.353 179.308 176.870 0.140 0.000 1.073 426 L CA 1.513 56.409 54.840 0.094 0.000 0.748 426 L CB -0.242 41.882 42.059 0.109 0.000 0.891 426 L HN 0.306 nan 8.230 nan 0.000 0.431 427 Q N -0.554 119.357 119.800 0.185 0.000 2.135 427 Q HA -0.226 4.114 4.340 -0.001 0.000 0.204 427 Q C 2.122 178.209 176.000 0.146 0.000 0.981 427 Q CA 1.239 57.172 55.803 0.217 0.000 0.856 427 Q CB -0.563 28.367 28.738 0.320 0.000 0.902 427 Q HN 0.358 nan 8.270 nan 0.000 0.425 428 L N 1.162 122.483 121.223 0.165 0.000 2.017 428 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 428 L C 2.252 179.143 176.870 0.034 0.000 1.073 428 L CA 1.810 56.721 54.840 0.119 0.000 0.745 428 L CB -0.756 41.410 42.059 0.177 0.000 0.894 428 L HN 0.263 nan 8.230 nan 0.000 0.432 429 Q N -1.547 118.295 119.800 0.071 0.000 2.084 429 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 429 Q C 2.095 178.119 176.000 0.039 0.000 0.978 429 Q CA 1.089 56.935 55.803 0.072 0.000 0.844 429 Q CB -0.236 28.564 28.738 0.104 0.000 0.898 429 Q HN 0.305 nan 8.270 nan 0.000 0.426 430 L N 0.305 121.550 121.223 0.035 0.000 1.994 430 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 430 L C 2.526 179.362 176.870 -0.058 0.000 1.071 430 L CA 1.610 56.454 54.840 0.007 0.000 0.745 430 L CB -1.385 40.696 42.059 0.037 0.000 0.892 430 L HN 0.247 nan 8.230 nan 0.000 0.431 431 V N -3.350 116.486 119.914 -0.131 0.000 2.515 431 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 431 V C 2.290 178.240 176.094 -0.239 0.000 1.058 431 V CA 1.304 63.452 62.300 -0.252 0.000 1.064 431 V CB -0.766 30.708 31.823 -0.581 0.000 0.675 431 V HN 0.366 nan 8.190 nan 0.000 0.461 432 L N 1.007 122.114 121.223 -0.194 0.000 2.179 432 L HA 0.130 4.470 4.340 -0.001 0.000 0.208 432 L C 2.813 179.634 176.870 -0.082 0.000 1.096 432 L CA 1.321 56.069 54.840 -0.152 0.000 0.779 432 L CB -1.069 40.925 42.059 -0.109 0.000 0.922 432 L HN 0.494 nan 8.230 nan 0.000 0.443 433 G N 0.045 108.819 108.800 -0.043 0.000 2.418 433 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.217 433 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.217 433 G C 1.513 176.375 174.900 -0.063 0.000 1.158 433 G CA 0.278 45.367 45.100 -0.019 0.000 0.771 433 G HN 0.085 nan 8.290 nan 0.000 0.545 434 L N 0.971 122.143 121.223 -0.085 0.000 2.027 434 L HA 0.050 4.390 4.340 -0.001 0.000 0.206 434 L C 3.041 179.833 176.870 -0.131 0.000 1.074 434 L CA 1.796 56.574 54.840 -0.103 0.000 0.745 434 L CB -1.103 40.896 42.059 -0.099 0.000 0.898 434 L HN 0.273 nan 8.230 nan 0.000 0.433 435 S N -0.659 114.953 115.700 -0.147 0.000 2.359 435 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 435 S C 1.885 176.395 174.600 -0.150 0.000 1.035 435 S CA 1.294 59.390 58.200 -0.173 0.000 1.018 435 S CB -0.289 62.793 63.200 -0.198 0.000 0.876 435 S HN 0.305 nan 8.310 nan 0.000 0.448 436 I N 1.114 121.625 120.570 -0.099 0.000 3.176 436 I HA 0.127 4.297 4.170 -0.001 0.000 0.275 436 I C 1.018 177.092 176.117 -0.072 0.000 1.298 436 I CA 0.700 61.985 61.300 -0.026 0.000 1.445 436 I CB -0.076 37.980 38.000 0.093 0.000 1.075 436 I HN 0.101 nan 8.210 nan 0.000 0.482 437 S N 0.212 115.832 115.700 -0.134 0.000 2.574 437 S HA 0.463 4.932 4.470 -0.001 0.000 0.242 437 S C 1.289 175.737 174.600 -0.253 0.000 0.982 437 S CA 0.298 58.361 58.200 -0.229 0.000 0.977 437 S CB 0.239 63.322 63.200 -0.195 0.000 0.814 437 S HN 0.625 nan 8.310 nan 0.000 0.464 438 G N 0.815 109.513 108.800 -0.170 0.000 2.175 438 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 438 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 438 G C 0.038 174.841 174.900 -0.160 0.000 0.982 438 G CA -0.050 44.999 45.100 -0.085 0.000 0.641 438 G HN 0.467 nan 8.290 nan 0.000 0.527 439 V N 2.539 122.338 119.914 -0.190 0.000 2.257 439 V HA 0.333 4.452 4.120 -0.001 0.000 0.269 439 V C -0.211 175.704 176.094 -0.297 0.000 1.040 439 V CA -0.607 61.553 62.300 -0.234 0.000 0.813 439 V CB 1.396 33.126 31.823 -0.156 0.000 1.065 439 V HN 0.182 nan 8.190 nan 0.000 0.457 440 P HA -0.053 nan 4.420 nan 0.000 0.216 440 P C 0.351 177.423 177.300 -0.379 0.000 1.153 440 P CA 0.915 63.693 63.100 -0.536 0.000 0.844 440 P CB 0.198 31.387 31.700 -0.853 0.000 0.787 441 F N 2.328 122.081 119.950 -0.329 0.000 2.462 441 F HA 0.259 4.786 4.527 -0.001 0.000 0.354 441 F C 0.960 176.583 175.800 -0.295 0.000 1.192 441 F CA -1.409 56.265 58.000 -0.543 0.000 1.173 441 F CB -0.622 37.483 39.000 -1.492 0.000 1.402 441 F HN -0.179 nan 8.300 nan 0.000 0.595 442 V N -0.369 119.612 119.914 0.111 0.000 3.141 442 V HA 1.132 5.252 4.120 -0.001 0.000 0.312 442 V C -0.191 176.080 176.094 0.295 0.000 1.157 442 V CA -0.787 61.606 62.300 0.154 0.000 1.041 442 V CB 1.709 33.523 31.823 -0.015 0.000 1.071 442 V HN 0.753 nan 8.190 nan 0.000 0.441 443 G N -0.876 108.139 108.800 0.357 0.000 2.495 443 G HA2 0.681 4.640 3.960 -0.001 0.000 0.294 443 G HA3 0.681 4.640 3.960 -0.001 0.000 0.294 443 G C -0.926 174.253 174.900 0.464 0.000 1.397 443 G CA 0.011 45.389 45.100 0.464 0.000 0.790 443 G HN 2.051 nan 8.290 nan 0.000 0.486 444 C N -1.182 118.406 119.300 0.481 0.000 3.044 444 C HA 0.824 5.283 4.460 -0.001 0.000 0.315 444 C C -0.908 174.282 174.990 0.333 0.000 1.320 444 C CA -1.156 58.128 59.018 0.444 0.000 1.582 444 C CB 1.731 29.721 27.740 0.416 0.000 2.039 444 C HN 0.610 nan 8.230 nan 0.000 0.466 445 D N 1.752 122.347 120.400 0.325 0.000 2.338 445 D HA 0.301 4.941 4.640 -0.001 0.000 0.255 445 D C 0.228 176.465 176.300 -0.105 0.000 1.237 445 D CA 0.502 54.579 54.000 0.128 0.000 0.883 445 D CB 0.582 41.544 40.800 0.271 0.000 1.087 445 D HN 0.523 nan 8.370 nan 0.000 0.485 446 I N 1.818 122.230 120.570 -0.264 0.000 2.581 446 I HA 0.102 4.272 4.170 -0.001 0.000 0.285 446 I C 1.605 177.364 176.117 -0.597 0.000 1.129 446 I CA 0.518 61.531 61.300 -0.477 0.000 1.397 446 I CB 0.358 37.886 38.000 -0.785 0.000 1.399 446 I HN 0.669 nan 8.210 nan 0.000 0.537 447 G N 4.019 112.208 108.800 -1.019 0.000 2.179 447 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.220 447 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.220 447 G C 0.551 174.973 174.900 -0.796 0.000 0.990 447 G CA -0.202 44.394 45.100 -0.840 0.000 0.646 447 G HN 1.484 nan 8.290 nan 0.000 0.517 448 G N -1.445 106.891 108.800 -0.774 0.000 2.850 448 G HA2 0.136 4.096 3.960 -0.001 0.000 0.686 448 G HA3 0.136 4.096 3.960 -0.001 0.000 0.686 448 G C 0.243 175.086 174.900 -0.096 0.000 1.164 448 G CA 0.190 45.094 45.100 -0.327 0.000 0.826 448 G HN 1.544 nan 8.290 nan 0.000 0.586 449 F N 2.085 122.009 119.950 -0.043 0.000 2.098 449 F HA 0.133 4.660 4.527 -0.001 0.000 0.294 449 F C 1.794 177.590 175.800 -0.005 0.000 1.107 449 F CA 1.696 59.708 58.000 0.019 0.000 1.234 449 F CB -0.117 39.002 39.000 0.199 0.000 1.002 449 F HN 0.598 nan 8.300 nan 0.000 0.472 450 Q N 1.249 121.000 119.800 -0.082 0.000 2.304 450 Q HA 0.045 4.385 4.340 -0.001 0.000 0.315 450 Q C 0.967 176.761 176.000 -0.342 0.000 1.075 450 Q CA 0.815 56.497 55.803 -0.202 0.000 0.988 450 Q CB 0.230 28.971 28.738 0.004 0.000 1.146 450 Q HN 0.529 nan 8.270 nan 0.000 0.383 451 G N 2.416 110.999 108.800 -0.362 0.000 2.549 451 G HA2 0.042 4.001 3.960 -0.001 0.000 0.219 451 G HA3 0.042 4.001 3.960 -0.001 0.000 0.219 451 G C 0.139 174.870 174.900 -0.281 0.000 1.677 451 G CA -0.070 44.845 45.100 -0.309 0.000 0.929 451 G HN 0.531 nan 8.290 nan 0.000 0.549 452 R N 0.581 120.939 120.500 -0.237 0.000 2.569 452 R HA 0.168 4.507 4.340 -0.001 0.000 0.429 452 R C 0.549 176.760 176.300 -0.149 0.000 0.994 452 R CA -0.154 55.814 56.100 -0.220 0.000 1.089 452 R CB 0.250 30.459 30.300 -0.153 0.000 1.420 452 R HN 0.435 nan 8.270 nan 0.000 0.615 453 N N 0.875 119.505 118.700 -0.117 0.000 2.398 453 N HA -0.006 4.734 4.740 -0.001 0.000 0.188 453 N C -0.079 175.571 175.510 0.233 0.000 1.122 453 N CA 0.297 53.392 53.050 0.076 0.000 0.866 453 N CB 0.185 38.776 38.487 0.172 0.000 0.970 453 N HN 0.193 nan 8.380 nan 0.000 0.462 454 F N -4.181 115.774 119.950 0.008 0.000 2.668 454 F HA 0.756 5.283 4.527 -0.000 0.000 0.309 454 F C 0.830 176.636 175.800 0.011 0.000 1.117 454 F CA -1.344 56.665 58.000 0.016 0.000 0.951 454 F CB 0.659 39.675 39.000 0.028 0.000 1.323 454 F HN -0.160 nan 8.300 nan 0.000 0.451 455 A N -0.120 122.804 122.820 0.174 0.000 1.933 455 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 455 A C 1.043 178.656 177.584 0.049 0.000 1.175 455 A CA 1.511 53.590 52.037 0.070 0.000 0.628 455 A CB -0.892 18.162 19.000 0.091 0.000 0.814 455 A HN 0.746 nan 8.150 nan 0.000 0.444 456 E N 0.060 120.371 120.200 0.184 0.000 2.705 456 E HA 0.322 4.672 4.350 -0.001 0.000 0.272 456 E C -0.698 175.918 176.600 0.027 0.000 1.528 456 E CA 0.263 56.759 56.400 0.161 0.000 1.750 456 E CB -0.526 29.341 29.700 0.278 0.000 1.439 456 E HN 0.567 nan 8.360 nan 0.000 0.449 457 I N 0.602 121.084 120.570 -0.145 0.000 2.418 457 I HA 0.204 4.374 4.170 -0.001 0.000 0.287 457 I C -0.387 175.667 176.117 -0.105 0.000 1.008 457 I CA -0.963 60.209 61.300 -0.215 0.000 1.104 457 I CB 1.722 39.455 38.000 -0.445 0.000 1.264 457 I HN -0.086 nan 8.210 nan 0.000 0.438 458 D N 6.143 126.513 120.400 -0.051 0.000 2.412 458 D HA 0.193 4.832 4.640 -0.001 0.000 0.224 458 D C 0.033 176.302 176.300 -0.052 0.000 1.093 458 D CA -0.116 53.875 54.000 -0.016 0.000 0.850 458 D CB 0.787 41.612 40.800 0.042 0.000 1.046 458 D HN 0.377 nan 8.370 nan 0.000 0.507 459 N N 1.716 120.380 118.700 -0.060 0.000 2.279 459 N HA -0.010 4.730 4.740 -0.001 0.000 0.226 459 N C 0.015 175.487 175.510 -0.063 0.000 1.126 459 N CA -0.108 52.896 53.050 -0.077 0.000 0.846 459 N CB 0.449 38.880 38.487 -0.094 0.000 1.050 459 N HN 0.364 nan 8.380 nan 0.000 0.502 460 S N -0.250 115.429 115.700 -0.035 0.000 2.560 460 S HA 0.118 4.588 4.470 -0.001 0.000 0.284 460 S C 1.638 176.177 174.600 -0.103 0.000 1.327 460 S CA -0.326 57.854 58.200 -0.034 0.000 1.055 460 S CB 1.097 64.334 63.200 0.061 0.000 0.868 460 S HN 0.108 nan 8.310 nan 0.000 0.506 461 M N 1.532 120.996 119.600 -0.226 0.000 2.159 461 M HA -0.112 4.368 4.480 -0.001 0.000 0.263 461 M C 1.807 177.886 176.300 -0.369 0.000 1.063 461 M CA 1.644 56.689 55.300 -0.424 0.000 1.110 461 M CB -0.658 31.410 32.600 -0.888 0.000 1.374 461 M HN 0.876 nan 8.290 nan 0.000 0.411 462 D N 0.582 120.862 120.400 -0.200 0.000 2.219 462 D HA -0.162 4.478 4.640 -0.001 0.000 0.205 462 D C 1.904 178.262 176.300 0.097 0.000 0.970 462 D CA 0.942 55.041 54.000 0.165 0.000 0.851 462 D CB -0.692 40.350 40.800 0.402 0.000 0.943 462 D HN 0.374 nan 8.370 nan 0.000 0.488 463 L N -0.270 120.909 121.223 -0.073 0.000 2.072 463 L HA -0.068 4.271 4.340 -0.001 0.000 0.205 463 L C 2.380 179.167 176.870 -0.138 0.000 1.079 463 L CA 0.689 55.249 54.840 -0.465 0.000 0.752 463 L CB -0.220 41.488 42.059 -0.586 0.000 0.906 463 L HN 0.052 nan 8.230 nan 0.000 0.436 464 L N -0.307 120.920 121.223 0.005 0.000 2.042 464 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 464 L C 2.325 179.346 176.870 0.251 0.000 1.076 464 L CA 1.768 56.690 54.840 0.137 0.000 0.749 464 L CB -0.657 41.448 42.059 0.076 0.000 0.893 464 L HN 0.013 nan 8.230 nan 0.000 0.432 465 V N -0.212 119.818 119.914 0.193 0.000 2.343 465 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 465 V C 2.668 178.884 176.094 0.203 0.000 1.051 465 V CA 1.691 64.137 62.300 0.243 0.000 1.036 465 V CB -0.792 31.164 31.823 0.221 0.000 0.654 465 V HN 0.413 nan 8.190 nan 0.000 0.451 466 K N -0.958 119.489 120.400 0.079 0.000 2.209 466 K HA -0.143 4.177 4.320 -0.001 0.000 0.204 466 K C 1.991 178.555 176.600 -0.061 0.000 1.048 466 K CA 1.385 57.668 56.287 -0.006 0.000 0.940 466 K CB -0.441 31.969 32.500 -0.150 0.000 0.729 466 K HN 0.531 nan 8.250 nan 0.000 0.451 467 Y N -0.179 120.080 120.300 -0.068 0.000 2.163 467 Y HA -0.200 4.350 4.550 -0.001 0.000 0.288 467 Y C 2.210 178.028 175.900 -0.138 0.000 1.136 467 Y CA 1.342 59.363 58.100 -0.131 0.000 1.147 467 Y CB -0.539 37.789 38.460 -0.219 0.000 0.987 467 Y HN 0.020 nan 8.280 nan 0.000 0.509 468 Y N -0.945 119.413 120.300 0.096 0.000 2.165 468 Y HA -0.288 4.262 4.550 -0.001 0.000 0.286 468 Y C 2.506 178.476 175.900 0.118 0.000 1.155 468 Y CA 1.378 59.512 58.100 0.058 0.000 1.164 468 Y CB -0.807 37.691 38.460 0.064 0.000 0.978 468 Y HN 0.109 nan 8.280 nan 0.000 0.513 469 A N -0.555 122.413 122.820 0.248 0.000 1.898 469 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 469 A C 2.170 179.887 177.584 0.221 0.000 1.181 469 A CA 1.429 53.592 52.037 0.209 0.000 0.620 469 A CB -1.047 18.072 19.000 0.198 0.000 0.819 469 A HN 0.442 nan 8.150 nan 0.000 0.442 470 L N -0.167 121.117 121.223 0.103 0.000 2.012 470 L HA -0.059 4.281 4.340 -0.001 0.000 0.210 470 L C 2.335 179.067 176.870 -0.229 0.000 1.073 470 L CA 2.325 57.187 54.840 0.038 0.000 0.748 470 L CB -0.427 41.596 42.059 -0.060 0.000 0.891 470 L HN 0.283 nan 8.230 nan 0.000 0.431 471 A N -1.110 121.463 122.820 -0.411 0.000 2.259 471 A HA 0.054 4.374 4.320 -0.001 0.000 0.208 471 A C 1.915 179.434 177.584 -0.108 0.000 1.201 471 A CA 0.574 52.104 52.037 -0.845 0.000 0.824 471 A CB -0.866 17.929 19.000 -0.342 0.000 0.838 471 A HN 0.497 nan 8.150 nan 0.000 0.485 472 L N -1.116 120.070 121.223 -0.061 0.000 2.085 472 L HA -0.191 4.149 4.340 -0.001 0.000 0.218 472 L C 1.314 177.818 176.870 -0.610 0.000 1.080 472 L CA 2.289 56.884 54.840 -0.408 0.000 0.776 472 L CB -0.583 41.022 42.059 -0.758 0.000 0.891 472 L HN 0.419 nan 8.230 nan 0.000 0.437 473 F N -1.988 118.011 119.950 0.081 0.000 2.654 473 F HA 0.263 4.790 4.527 -0.001 0.000 0.303 473 F C 0.501 176.585 175.800 0.473 0.000 1.099 473 F CA -1.117 57.012 58.000 0.215 0.000 1.270 473 F CB -0.277 38.855 39.000 0.219 0.000 1.024 473 F HN -0.211 nan 8.300 nan 0.000 0.548 474 F N 2.131 122.321 119.950 0.401 0.000 2.518 474 F HA 0.190 4.717 4.527 -0.001 0.000 0.359 474 F C -1.069 174.968 175.800 0.395 0.000 1.118 474 F CA -3.082 55.117 58.000 0.331 0.000 1.287 474 F CB 0.048 39.231 39.000 0.306 0.000 1.132 474 F HN -0.132 nan 8.300 nan 0.000 0.587 475 P HA -0.177 nan 4.420 nan 0.000 0.215 475 P C 0.053 177.785 177.300 0.721 0.000 1.157 475 P CA 1.314 64.823 63.100 0.681 0.000 0.868 475 P CB 0.128 32.182 31.700 0.591 0.000 0.788 476 F N -0.165 120.089 119.950 0.507 0.000 2.405 476 F HA 0.362 4.888 4.527 -0.001 0.000 0.355 476 F C -0.611 175.461 175.800 0.452 0.000 1.121 476 F CA -1.429 56.854 58.000 0.472 0.000 1.112 476 F CB 0.164 39.466 39.000 0.503 0.000 1.126 476 F HN -0.151 nan 8.300 nan 0.000 0.481 477 Y N 7.354 127.519 120.300 -0.225 0.000 2.842 477 Y HA 0.449 4.998 4.550 -0.001 0.000 0.334 477 Y C -0.570 175.094 175.900 -0.393 0.000 1.019 477 Y CA -0.574 57.420 58.100 -0.176 0.000 1.258 477 Y CB 0.108 38.578 38.460 0.018 0.000 1.106 477 Y HN 0.644 nan 8.280 nan 0.000 0.545 478 R N 2.659 122.726 120.500 -0.721 0.000 2.686 478 R HA 0.571 4.911 4.340 -0.001 0.000 0.283 478 R C -1.242 174.779 176.300 -0.465 0.000 0.978 478 R CA -0.592 55.094 56.100 -0.690 0.000 0.897 478 R CB 1.784 31.391 30.300 -1.155 0.000 1.192 478 R HN 0.483 nan 8.270 nan 0.000 0.457 479 S N 1.935 117.452 115.700 -0.306 0.000 2.442 479 S HA 0.337 4.807 4.470 -0.001 0.000 0.297 479 S C -1.376 173.171 174.600 -0.089 0.000 1.131 479 S CA -0.418 57.665 58.200 -0.195 0.000 1.092 479 S CB 0.582 63.765 63.200 -0.029 0.000 0.998 479 S HN 0.662 nan 8.310 nan 0.000 0.478 480 H N 2.468 121.434 119.070 -0.173 0.000 2.894 480 H HA 0.740 5.296 4.556 -0.001 0.000 0.367 480 H C -1.161 174.179 175.328 0.020 0.000 1.144 480 H CA -0.553 55.448 56.048 -0.079 0.000 1.180 480 H CB 1.475 31.183 29.762 -0.090 0.000 1.758 480 H HN 0.564 nan 8.280 nan 0.000 0.541 481 K N 2.085 122.218 120.400 -0.445 0.000 2.527 481 K HA 0.783 5.102 4.320 -0.001 0.000 0.260 481 K C -1.210 175.063 176.600 -0.546 0.000 0.937 481 K CA -0.229 55.808 56.287 -0.417 0.000 0.826 481 K CB 2.040 34.382 32.500 -0.263 0.000 1.359 481 K HN 0.723 nan 8.250 nan 0.000 0.434 482 A N 1.136 123.495 122.820 -0.769 0.000 2.346 482 A HA 0.225 4.545 4.320 -0.001 0.000 0.252 482 A C 0.740 178.111 177.584 -0.355 0.000 1.089 482 A CA 0.531 52.171 52.037 -0.662 0.000 0.797 482 A CB -0.207 18.253 19.000 -0.900 0.000 1.047 482 A HN 0.870 nan 8.150 nan 0.000 0.494 483 T N 0.842 115.183 114.554 -0.355 0.000 2.699 483 T HA -0.187 4.163 4.350 -0.001 0.000 0.268 483 T C 1.116 175.674 174.700 -0.237 0.000 1.036 483 T CA 1.928 63.819 62.100 -0.348 0.000 1.147 483 T CB -0.355 68.243 68.868 -0.450 0.000 0.862 483 T HN 0.879 nan 8.240 nan 0.000 0.446 484 D N 1.513 121.787 120.400 -0.211 0.000 2.325 484 D HA 0.162 4.802 4.640 -0.001 0.000 0.225 484 D C 0.841 177.035 176.300 -0.177 0.000 1.096 484 D CA -0.250 53.652 54.000 -0.163 0.000 0.844 484 D CB -0.551 40.176 40.800 -0.121 0.000 0.925 484 D HN 0.395 nan 8.370 nan 0.000 0.513 485 G N 1.104 109.774 108.800 -0.216 0.000 2.507 485 G HA2 0.469 4.429 3.960 -0.001 0.000 0.271 485 G HA3 0.469 4.429 3.960 -0.001 0.000 0.271 485 G C 0.705 175.502 174.900 -0.171 0.000 1.189 485 G CA -0.849 44.125 45.100 -0.211 0.000 0.859 485 G HN 0.363 nan 8.290 nan 0.000 0.542 486 I N -1.374 119.107 120.570 -0.149 0.000 3.060 486 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 486 I C -0.554 175.493 176.117 -0.116 0.000 1.190 486 I CA -0.692 60.531 61.300 -0.129 0.000 1.363 486 I CB 0.558 38.495 38.000 -0.104 0.000 1.396 486 I HN 0.205 nan 8.210 nan 0.000 0.607 487 D N 3.455 123.777 120.400 -0.131 0.000 2.371 487 D HA 0.059 4.699 4.640 -0.001 0.000 0.256 487 D C 1.047 177.384 176.300 0.063 0.000 1.193 487 D CA 0.299 54.250 54.000 -0.081 0.000 0.881 487 D CB 1.334 41.912 40.800 -0.370 0.000 1.143 487 D HN 0.780 nan 8.370 nan 0.000 0.473 488 T N -1.132 113.488 114.554 0.110 0.000 3.069 488 T HA 0.070 4.419 4.350 -0.001 0.000 0.252 488 T C 0.491 175.308 174.700 0.195 0.000 1.053 488 T CA -0.497 61.674 62.100 0.119 0.000 0.964 488 T CB 0.251 69.139 68.868 0.032 0.000 1.005 488 T HN 0.057 nan 8.240 nan 0.000 0.532 489 E N 3.082 123.454 120.200 0.286 0.000 2.414 489 E HA 0.191 4.541 4.350 -0.001 0.000 0.263 489 E C -1.690 174.894 176.600 -0.027 0.000 1.000 489 E CA -2.094 54.389 56.400 0.138 0.000 0.914 489 E CB 0.586 30.340 29.700 0.090 0.000 0.948 489 E HN 0.130 nan 8.360 nan 0.000 0.444 490 P HA -0.221 nan 4.420 nan 0.000 0.217 490 P C 1.087 178.227 177.300 -0.267 0.000 1.148 490 P CA 1.170 64.060 63.100 -0.350 0.000 0.828 490 P CB 0.023 31.157 31.700 -0.942 0.000 0.783 491 V N -5.547 114.109 119.914 -0.428 0.000 3.078 491 V HA -0.109 4.011 4.120 -0.001 0.000 0.265 491 V C 1.339 177.203 176.094 -0.384 0.000 1.122 491 V CA 1.561 63.636 62.300 -0.375 0.000 1.141 491 V CB -1.737 29.771 31.823 -0.525 0.000 0.735 491 V HN -0.062 nan 8.190 nan 0.000 0.498 492 F N 0.185 120.139 119.950 0.007 0.000 2.695 492 F HA 0.519 5.045 4.527 -0.001 0.000 0.303 492 F C 0.888 176.711 175.800 0.039 0.000 1.091 492 F CA -0.995 57.017 58.000 0.020 0.000 1.300 492 F CB -0.202 38.802 39.000 0.006 0.000 1.071 492 F HN 0.076 nan 8.300 nan 0.000 0.578 493 L N 1.162 122.485 121.223 0.167 0.000 2.379 493 L HA 0.374 4.713 4.340 -0.001 0.000 0.269 493 L C -2.036 174.950 176.870 0.193 0.000 1.084 493 L CA -1.989 52.957 54.840 0.177 0.000 0.802 493 L CB 0.609 42.769 42.059 0.168 0.000 1.175 493 L HN -0.222 nan 8.230 nan 0.000 0.448 494 P HA 0.019 nan 4.420 nan 0.000 0.269 494 P C -0.083 177.340 177.300 0.206 0.000 1.215 494 P CA -0.274 62.960 63.100 0.223 0.000 0.780 494 P CB 0.512 32.382 31.700 0.284 0.000 0.898 495 D N 0.646 121.131 120.400 0.142 0.000 2.170 495 D HA -0.260 4.380 4.640 -0.001 0.000 0.193 495 D C 1.606 177.958 176.300 0.087 0.000 1.004 495 D CA 1.816 55.878 54.000 0.103 0.000 0.860 495 D CB -0.716 40.129 40.800 0.074 0.000 0.931 495 D HN 0.496 nan 8.370 nan 0.000 0.448 496 Y N 0.504 120.772 120.300 -0.054 0.000 2.081 496 Y HA -0.337 4.213 4.550 -0.001 0.000 0.280 496 Y C 2.168 177.933 175.900 -0.225 0.000 1.163 496 Y CA 1.733 59.717 58.100 -0.194 0.000 1.135 496 Y CB -0.617 37.630 38.460 -0.354 0.000 0.970 496 Y HN -0.004 nan 8.280 nan 0.000 0.498 497 Y N 0.053 120.388 120.300 0.059 0.000 2.337 497 Y HA -0.052 4.498 4.550 -0.001 0.000 0.293 497 Y C 2.537 178.416 175.900 -0.036 0.000 1.123 497 Y CA 1.432 59.515 58.100 -0.029 0.000 1.201 497 Y CB -0.567 37.955 38.460 0.104 0.000 1.011 497 Y HN 0.078 nan 8.280 nan 0.000 0.545 498 K N 0.441 120.936 120.400 0.158 0.000 2.063 498 K HA -0.214 4.105 4.320 -0.001 0.000 0.208 498 K C 2.029 178.695 176.600 0.110 0.000 1.048 498 K CA 1.606 57.984 56.287 0.153 0.000 0.928 498 K CB -0.020 32.579 32.500 0.166 0.000 0.713 498 K HN 0.068 nan 8.250 nan 0.000 0.442 499 E N 1.173 121.372 120.200 -0.001 0.000 2.085 499 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 499 E C 1.837 178.381 176.600 -0.093 0.000 0.994 499 E CA 1.366 57.724 56.400 -0.069 0.000 0.801 499 E CB 0.054 29.685 29.700 -0.115 0.000 0.743 499 E HN 0.337 nan 8.360 nan 0.000 0.453 500 K N 0.015 120.332 120.400 -0.139 0.000 2.057 500 K HA -0.097 4.223 4.320 -0.001 0.000 0.207 500 K C 2.228 178.790 176.600 -0.063 0.000 1.049 500 K CA 1.258 57.470 56.287 -0.125 0.000 0.931 500 K CB -0.093 32.312 32.500 -0.159 0.000 0.714 500 K HN -0.018 nan 8.250 nan 0.000 0.440 501 V N 1.731 121.609 119.914 -0.060 0.000 2.358 501 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 501 V C 2.335 178.410 176.094 -0.032 0.000 1.047 501 V CA 1.635 63.827 62.300 -0.180 0.000 1.035 501 V CB -0.394 31.189 31.823 -0.400 0.000 0.658 501 V HN 0.323 nan 8.190 nan 0.000 0.452 502 K N 0.221 120.676 120.400 0.092 0.000 2.044 502 K HA -0.252 4.068 4.320 -0.001 0.000 0.210 502 K C 2.128 178.679 176.600 -0.082 0.000 1.049 502 K CA 2.103 58.340 56.287 -0.084 0.000 0.927 502 K CB -0.151 32.145 32.500 -0.340 0.000 0.713 502 K HN 0.599 nan 8.250 nan 0.000 0.443 503 E N 0.305 120.472 120.200 -0.055 0.000 2.106 503 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 503 E C 2.116 178.734 176.600 0.029 0.000 0.984 503 E CA 1.277 57.671 56.400 -0.011 0.000 0.806 503 E CB -0.113 29.582 29.700 -0.009 0.000 0.750 503 E HN 0.384 nan 8.360 nan 0.000 0.458 504 I N 0.826 121.404 120.570 0.013 0.000 2.226 504 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 504 I C 2.373 178.481 176.117 -0.016 0.000 1.100 504 I CA 0.813 62.126 61.300 0.022 0.000 1.374 504 I CB -0.203 37.829 38.000 0.053 0.000 1.057 504 I HN -0.019 nan 8.210 nan 0.000 0.413 505 V N 0.749 120.655 119.914 -0.014 0.000 2.343 505 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 505 V C 2.315 178.466 176.094 0.096 0.000 1.051 505 V CA 1.840 64.126 62.300 -0.024 0.000 1.036 505 V CB -0.671 31.159 31.823 0.012 0.000 0.654 505 V HN 0.437 nan 8.190 nan 0.000 0.451 506 E N -0.167 120.097 120.200 0.107 0.000 2.110 506 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 506 E C 2.114 178.811 176.600 0.162 0.000 0.988 506 E CA 1.225 57.716 56.400 0.151 0.000 0.804 506 E CB -0.214 29.524 29.700 0.063 0.000 0.745 506 E HN 0.409 nan 8.360 nan 0.000 0.458 507 L N 1.350 122.648 121.223 0.125 0.000 2.093 507 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 507 L C 2.328 179.288 176.870 0.151 0.000 1.085 507 L CA 1.623 56.574 54.840 0.184 0.000 0.755 507 L CB -0.277 41.897 42.059 0.192 0.000 0.904 507 L HN -0.063 nan 8.230 nan 0.000 0.435 508 R N -1.906 118.553 120.500 -0.068 0.000 2.081 508 R HA -0.218 4.121 4.340 -0.001 0.000 0.235 508 R C 2.257 178.512 176.300 -0.075 0.000 1.131 508 R CA 1.821 57.782 56.100 -0.232 0.000 0.960 508 R CB -0.492 29.448 30.300 -0.601 0.000 0.856 508 R HN 0.374 nan 8.270 nan 0.000 0.436 509 Y N 0.846 121.162 120.300 0.027 0.000 2.352 509 Y HA -0.146 4.403 4.550 -0.001 0.000 0.292 509 Y C 2.373 178.324 175.900 0.085 0.000 1.136 509 Y CA 1.549 59.687 58.100 0.063 0.000 1.227 509 Y CB -0.130 38.359 38.460 0.050 0.000 0.991 509 Y HN 0.087 nan 8.280 nan 0.000 0.545 510 K N -0.597 119.939 120.400 0.226 0.000 2.148 510 K HA -0.140 4.180 4.320 -0.001 0.000 0.204 510 K C 1.061 177.666 176.600 0.008 0.000 1.050 510 K CA 1.333 57.678 56.287 0.096 0.000 0.942 510 K CB -0.284 32.245 32.500 0.048 0.000 0.724 510 K HN 0.243 nan 8.250 nan 0.000 0.446 511 F N 0.264 120.294 119.950 0.134 0.000 2.765 511 F HA 0.057 4.584 4.527 -0.001 0.000 0.302 511 F C 1.480 177.416 175.800 0.227 0.000 1.111 511 F CA -0.297 57.827 58.000 0.207 0.000 1.359 511 F CB 0.186 39.369 39.000 0.306 0.000 1.097 511 F HN 0.003 nan 8.300 nan 0.000 0.577 512 L N 1.685 123.079 121.223 0.285 0.000 2.043 512 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 512 L C -0.718 176.281 176.870 0.214 0.000 1.075 512 L CA 2.336 57.292 54.840 0.194 0.000 0.752 512 L CB -1.588 40.557 42.059 0.143 0.000 0.891 512 L HN -0.070 nan 8.230 nan 0.000 0.432 513 P HA -0.225 nan 4.420 nan 0.000 0.216 513 P C 1.216 178.808 177.300 0.488 0.000 1.150 513 P CA 1.396 64.736 63.100 0.400 0.000 0.837 513 P CB -0.214 31.743 31.700 0.428 0.000 0.786 514 Y N 0.235 120.725 120.300 0.316 0.000 2.184 514 Y HA -0.125 4.424 4.550 -0.001 0.000 0.290 514 Y C 2.059 178.122 175.900 0.273 0.000 1.129 514 Y CA 1.136 59.429 58.100 0.322 0.000 1.144 514 Y CB -1.099 37.529 38.460 0.281 0.000 0.995 514 Y HN -0.184 nan 8.280 nan 0.000 0.513 515 I N -0.943 119.702 120.570 0.124 0.000 2.163 515 I HA -0.372 3.798 4.170 -0.001 0.000 0.243 515 I C 2.131 178.149 176.117 -0.164 0.000 1.085 515 I CA 1.906 63.176 61.300 -0.050 0.000 1.347 515 I CB -0.645 37.416 38.000 0.101 0.000 1.044 515 I HN 0.219 nan 8.210 nan 0.000 0.408 516 Y N 1.438 121.563 120.300 -0.292 0.000 2.293 516 Y HA -0.210 4.340 4.550 -0.001 0.000 0.291 516 Y C 2.765 178.550 175.900 -0.191 0.000 1.137 516 Y CA 1.266 59.086 58.100 -0.466 0.000 1.202 516 Y CB -0.293 37.863 38.460 -0.506 0.000 0.990 516 Y HN 0.073 nan 8.280 nan 0.000 0.537 517 S N 0.121 115.845 115.700 0.040 0.000 2.368 517 S HA -0.164 4.306 4.470 -0.001 0.000 0.225 517 S C 2.069 176.615 174.600 -0.090 0.000 1.030 517 S CA 1.476 59.701 58.200 0.042 0.000 0.999 517 S CB -0.502 62.897 63.200 0.332 0.000 0.844 517 S HN 0.441 nan 8.310 nan 0.000 0.459 518 L N 1.052 122.213 121.223 -0.104 0.000 2.141 518 L HA -0.084 4.256 4.340 -0.001 0.000 0.209 518 L C 2.721 179.514 176.870 -0.129 0.000 1.094 518 L CA 0.977 55.737 54.840 -0.133 0.000 0.763 518 L CB -0.659 41.250 42.059 -0.250 0.000 0.908 518 L HN 0.315 nan 8.230 nan 0.000 0.437 519 A N 0.172 122.861 122.820 -0.219 0.000 1.898 519 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 519 A C 2.208 179.691 177.584 -0.168 0.000 1.181 519 A CA 1.513 53.467 52.037 -0.138 0.000 0.620 519 A CB -0.579 18.083 19.000 -0.562 0.000 0.819 519 A HN 0.322 nan 8.150 nan 0.000 0.442 520 L N 0.188 121.202 121.223 -0.349 0.000 2.046 520 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 520 L C 2.232 178.990 176.870 -0.187 0.000 1.077 520 L CA 2.705 57.378 54.840 -0.279 0.000 0.747 520 L CB -0.692 41.194 42.059 -0.289 0.000 0.896 520 L HN 0.596 nan 8.230 nan 0.000 0.432 521 E N -0.617 119.477 120.200 -0.177 0.000 2.085 521 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 521 E C 2.062 178.541 176.600 -0.202 0.000 0.994 521 E CA 1.203 57.498 56.400 -0.176 0.000 0.801 521 E CB -0.163 29.478 29.700 -0.099 0.000 0.743 521 E HN 0.644 nan 8.360 nan 0.000 0.453 522 A N 0.854 123.591 122.820 -0.137 0.000 1.902 522 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 522 A C 2.318 179.789 177.584 -0.187 0.000 1.181 522 A CA 2.075 54.013 52.037 -0.166 0.000 0.623 522 A CB -0.723 18.175 19.000 -0.169 0.000 0.818 522 A HN 0.441 nan 8.150 nan 0.000 0.443 523 S N -0.515 115.117 115.700 -0.114 0.000 2.481 523 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 523 S C 1.474 175.998 174.600 -0.127 0.000 0.996 523 S CA 1.238 59.378 58.200 -0.100 0.000 0.942 523 S CB -0.218 62.959 63.200 -0.037 0.000 0.768 523 S HN 0.696 nan 8.310 nan 0.000 0.520 524 E N 0.720 120.823 120.200 -0.161 0.000 2.132 524 E HA 0.144 4.494 4.350 -0.001 0.000 0.193 524 E C 1.461 177.932 176.600 -0.214 0.000 0.951 524 E CA 0.515 56.816 56.400 -0.165 0.000 0.843 524 E CB 0.086 29.691 29.700 -0.160 0.000 0.807 524 E HN 0.323 nan 8.360 nan 0.000 0.467 525 K N -0.721 119.484 120.400 -0.324 0.000 2.360 525 K HA 0.186 4.506 4.320 -0.001 0.000 0.196 525 K C 0.709 177.112 176.600 -0.328 0.000 1.049 525 K CA 0.614 56.643 56.287 -0.430 0.000 1.049 525 K CB 1.356 33.309 32.500 -0.912 0.000 0.881 525 K HN 0.211 nan 8.250 nan 0.000 0.542 526 G N 1.453 110.095 108.800 -0.262 0.000 2.137 526 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.237 526 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.237 526 G C -0.680 174.218 174.900 -0.004 0.000 1.002 526 G CA -0.120 44.889 45.100 -0.151 0.000 0.702 526 G HN 0.515 nan 8.290 nan 0.000 0.515 527 H N 1.367 120.373 119.070 -0.107 0.000 2.548 527 H HA 0.360 4.916 4.556 -0.001 0.000 0.331 527 H C -1.872 173.343 175.328 -0.189 0.000 1.093 527 H CA -1.631 54.366 56.048 -0.085 0.000 1.367 527 H CB 1.429 31.161 29.762 -0.050 0.000 1.455 527 H HN 0.198 nan 8.280 nan 0.000 0.519 528 P HA -0.058 nan 4.420 nan 0.000 0.274 528 P C 0.660 177.829 177.300 -0.219 0.000 1.231 528 P CA -0.160 62.795 63.100 -0.242 0.000 0.790 528 P CB 1.734 33.245 31.700 -0.314 0.000 0.951 529 V N 2.686 122.515 119.914 -0.141 0.000 2.273 529 V HA -0.111 4.008 4.120 -0.001 0.000 0.242 529 V C 1.478 177.533 176.094 -0.066 0.000 1.035 529 V CA 1.469 63.730 62.300 -0.066 0.000 1.013 529 V CB -0.806 31.062 31.823 0.074 0.000 0.652 529 V HN 0.500 nan 8.190 nan 0.000 0.452 530 I N -0.205 120.343 120.570 -0.037 0.000 2.440 530 I HA 0.625 4.795 4.170 -0.001 0.000 0.294 530 I C -0.317 175.721 176.117 -0.132 0.000 0.995 530 I CA -0.522 60.790 61.300 0.020 0.000 1.306 530 I CB 1.023 39.036 38.000 0.021 0.000 1.407 530 I HN 0.104 nan 8.210 nan 0.000 0.501 531 R N 4.730 125.172 120.500 -0.096 0.000 2.673 531 R HA 0.550 4.890 4.340 -0.001 0.000 0.281 531 R C -2.846 173.352 176.300 -0.171 0.000 0.991 531 R CA -1.863 54.082 56.100 -0.259 0.000 0.896 531 R CB 1.881 31.888 30.300 -0.487 0.000 1.201 531 R HN 0.466 nan 8.270 nan 0.000 0.457 532 P HA 0.066 nan 4.420 nan 0.000 0.274 532 P C 0.656 177.687 177.300 -0.449 0.000 1.231 532 P CA -0.320 62.490 63.100 -0.483 0.000 0.790 532 P CB 0.896 31.972 31.700 -1.041 0.000 0.951 533 L N 1.362 122.429 121.223 -0.260 0.000 2.081 533 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 533 L C 2.430 179.315 176.870 0.025 0.000 1.080 533 L CA 1.911 56.739 54.840 -0.020 0.000 0.754 533 L CB -1.151 40.914 42.059 0.010 0.000 0.893 533 L HN 0.387 nan 8.230 nan 0.000 0.433 534 F N -1.897 117.994 119.950 -0.099 0.000 2.494 534 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 534 F C 2.294 178.030 175.800 -0.108 0.000 1.106 534 F CA 0.377 58.191 58.000 -0.309 0.000 1.452 534 F CB -1.437 36.880 39.000 -1.139 0.000 1.085 534 F HN -0.037 nan 8.300 nan 0.000 0.569 535 Y N 1.580 121.754 120.300 -0.210 0.000 2.200 535 Y HA -0.065 4.484 4.550 -0.001 0.000 0.290 535 Y C 2.104 177.921 175.900 -0.138 0.000 1.137 535 Y CA 1.892 59.931 58.100 -0.101 0.000 1.163 535 Y CB -0.167 38.172 38.460 -0.203 0.000 0.988 535 Y HN 0.009 nan 8.280 nan 0.000 0.518 536 E N -0.723 119.469 120.200 -0.014 0.000 2.318 536 E HA 0.026 4.375 4.350 -0.001 0.000 0.193 536 E C -0.357 175.736 176.600 -0.845 0.000 0.998 536 E CA 0.514 56.644 56.400 -0.451 0.000 0.859 536 E CB 0.098 29.438 29.700 -0.601 0.000 0.812 536 E HN 0.461 nan 8.360 nan 0.000 0.492 537 F N 1.219 121.207 119.950 0.063 0.000 2.577 537 F HA 0.183 4.710 4.527 -0.001 0.000 0.342 537 F C 1.475 177.320 175.800 0.076 0.000 1.479 537 F CA -0.531 57.512 58.000 0.072 0.000 1.110 537 F CB 0.278 39.332 39.000 0.090 0.000 1.306 537 F HN -0.145 nan 8.300 nan 0.000 0.554 538 Q N 0.092 119.991 119.800 0.165 0.000 2.364 538 Q HA -0.176 4.164 4.340 -0.001 0.000 0.209 538 Q C 0.917 177.114 176.000 0.328 0.000 0.977 538 Q CA 1.934 57.884 55.803 0.245 0.000 0.885 538 Q CB -0.258 28.592 28.738 0.187 0.000 0.941 538 Q HN 0.550 nan 8.270 nan 0.000 0.464 539 D N 0.310 120.857 120.400 0.245 0.000 2.355 539 D HA -0.087 4.553 4.640 -0.001 0.000 0.218 539 D C -0.241 176.203 176.300 0.240 0.000 1.004 539 D CA 0.183 54.315 54.000 0.219 0.000 0.880 539 D CB -0.096 40.798 40.800 0.155 0.000 0.911 539 D HN 0.173 nan 8.370 nan 0.000 0.528 540 D N 0.946 121.511 120.400 0.276 0.000 2.412 540 D HA 0.070 4.710 4.640 -0.001 0.000 0.224 540 D C 0.489 176.970 176.300 0.302 0.000 1.093 540 D CA -0.502 53.639 54.000 0.235 0.000 0.850 540 D CB 1.122 42.031 40.800 0.182 0.000 1.046 540 D HN -0.259 nan 8.370 nan 0.000 0.507 541 D N 2.716 123.292 120.400 0.294 0.000 2.190 541 D HA -0.178 4.461 4.640 -0.001 0.000 0.200 541 D C 0.935 177.412 176.300 0.296 0.000 0.992 541 D CA 0.958 55.159 54.000 0.334 0.000 0.854 541 D CB 0.230 41.196 40.800 0.276 0.000 0.936 541 D HN 0.525 nan 8.370 nan 0.000 0.462 542 D N -0.102 120.414 120.400 0.193 0.000 2.149 542 D HA -0.131 4.508 4.640 -0.001 0.000 0.198 542 D C 2.002 178.377 176.300 0.124 0.000 0.990 542 D CA 0.639 54.719 54.000 0.133 0.000 0.839 542 D CB -0.131 40.713 40.800 0.075 0.000 0.948 542 D HN 0.142 nan 8.370 nan 0.000 0.460 543 M N -0.595 119.071 119.600 0.111 0.000 2.358 543 M HA -0.126 4.353 4.480 -0.001 0.000 0.264 543 M C 1.215 177.540 176.300 0.043 0.000 1.064 543 M CA 0.984 56.304 55.300 0.034 0.000 1.093 543 M CB -0.912 31.689 32.600 0.002 0.000 1.401 543 M HN 0.198 nan 8.290 nan 0.000 0.440 544 Y N -0.298 120.047 120.300 0.075 0.000 2.578 544 Y HA 0.022 4.572 4.550 -0.000 0.000 0.297 544 Y C 1.930 177.891 175.900 0.102 0.000 1.176 544 Y CA 0.460 58.578 58.100 0.030 0.000 1.315 544 Y CB -0.148 38.071 38.460 -0.402 0.000 1.031 544 Y HN 0.108 nan 8.280 nan 0.000 0.524 545 R N -0.505 120.121 120.500 0.210 0.000 2.437 545 R HA 0.208 4.548 4.340 -0.001 0.000 0.257 545 R C -0.472 175.906 176.300 0.130 0.000 0.927 545 R CA -0.048 56.152 56.100 0.166 0.000 1.078 545 R CB 0.193 30.575 30.300 0.136 0.000 1.161 545 R HN 0.152 nan 8.270 nan 0.000 0.529 546 I N 1.846 122.484 120.570 0.113 0.000 2.301 546 I HA 0.075 4.245 4.170 -0.001 0.000 0.292 546 I C 0.959 177.129 176.117 0.088 0.000 1.046 546 I CA 0.359 61.700 61.300 0.069 0.000 1.282 546 I CB 0.953 38.961 38.000 0.014 0.000 1.409 546 I HN 0.038 nan 8.210 nan 0.000 0.484 547 E N 2.791 123.047 120.200 0.093 0.000 2.572 547 E HA 0.024 4.374 4.350 -0.001 0.000 0.220 547 E C -0.067 176.598 176.600 0.108 0.000 0.945 547 E CA 0.195 56.660 56.400 0.109 0.000 1.070 547 E CB 0.517 30.296 29.700 0.131 0.000 1.090 547 E HN 0.666 nan 8.360 nan 0.000 0.506 548 D N 0.946 121.396 120.400 0.083 0.000 2.427 548 D HA 0.106 4.746 4.640 -0.001 0.000 0.224 548 D C -0.019 176.317 176.300 0.060 0.000 1.157 548 D CA 0.015 54.063 54.000 0.081 0.000 0.828 548 D CB 0.063 40.893 40.800 0.050 0.000 0.974 548 D HN 0.002 nan 8.370 nan 0.000 0.498 549 E N -0.309 119.939 120.200 0.080 0.000 2.383 549 E HA 0.494 4.844 4.350 -0.001 0.000 0.275 549 E C -1.346 175.355 176.600 0.168 0.000 0.918 549 E CA -1.232 55.187 56.400 0.030 0.000 0.764 549 E CB 2.176 31.837 29.700 -0.067 0.000 1.252 549 E HN 0.246 nan 8.360 nan 0.000 0.449 550 Y N -1.025 119.300 120.300 0.042 0.000 2.581 550 Y HA 0.552 5.102 4.550 -0.001 0.000 0.337 550 Y C -1.218 174.731 175.900 0.081 0.000 1.108 550 Y CA -1.473 56.660 58.100 0.055 0.000 1.033 550 Y CB 0.916 39.448 38.460 0.120 0.000 1.318 550 Y HN 0.248 nan 8.280 nan 0.000 0.459 551 M N 3.073 122.790 119.600 0.195 0.000 2.274 551 M HA 0.457 4.937 4.480 -0.001 0.000 0.344 551 M C -0.966 175.429 176.300 0.157 0.000 1.161 551 M CA -0.885 54.491 55.300 0.127 0.000 1.126 551 M CB 1.592 34.264 32.600 0.120 0.000 1.522 551 M HN 0.623 nan 8.290 nan 0.000 0.461 552 V N 2.371 122.321 119.914 0.059 0.000 2.304 552 V HA 0.643 4.763 4.120 -0.001 0.000 0.278 552 V C 0.637 176.752 176.094 0.035 0.000 1.018 552 V CA -0.083 62.237 62.300 0.034 0.000 0.814 552 V CB 0.354 32.058 31.823 -0.199 0.000 1.021 552 V HN 1.152 nan 8.190 nan 0.000 0.440 553 G N 4.332 113.094 108.800 -0.063 0.000 2.693 553 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.226 553 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.226 553 G C 0.553 175.405 174.900 -0.080 0.000 1.354 553 G CA 0.448 45.477 45.100 -0.118 0.000 0.873 553 G HN 0.746 nan 8.290 nan 0.000 0.562 554 K N -0.928 119.337 120.400 -0.225 0.000 2.365 554 K HA 0.152 4.471 4.320 -0.001 0.000 0.197 554 K C 1.924 178.533 176.600 0.016 0.000 1.042 554 K CA 1.659 57.839 56.287 -0.179 0.000 0.987 554 K CB -0.136 32.179 32.500 -0.310 0.000 0.779 554 K HN 0.530 nan 8.250 nan 0.000 0.484 555 Y N 0.055 120.426 120.300 0.118 0.000 2.396 555 Y HA 0.199 4.749 4.550 -0.001 0.000 0.292 555 Y C 0.824 176.803 175.900 0.133 0.000 1.128 555 Y CA -0.395 57.740 58.100 0.059 0.000 1.194 555 Y CB -0.038 38.359 38.460 -0.104 0.000 1.124 555 Y HN -0.100 nan 8.280 nan 0.000 0.543 556 L N 1.498 122.865 121.223 0.240 0.000 2.289 556 L HA 0.446 4.786 4.340 -0.001 0.000 0.285 556 L C -0.964 175.970 176.870 0.107 0.000 1.049 556 L CA -0.685 54.217 54.840 0.102 0.000 0.804 556 L CB 1.366 43.308 42.059 -0.194 0.000 1.195 556 L HN 0.103 nan 8.230 nan 0.000 0.428 557 L N 5.186 126.514 121.223 0.175 0.000 2.313 557 L HA 0.438 4.778 4.340 -0.001 0.000 0.283 557 L C -1.668 175.256 176.870 0.089 0.000 1.013 557 L CA -0.595 54.289 54.840 0.075 0.000 0.816 557 L CB 1.382 43.384 42.059 -0.096 0.000 1.236 557 L HN 0.592 nan 8.230 nan 0.000 0.419 558 Y N 4.653 124.811 120.300 -0.237 0.000 2.350 558 Y HA 0.660 5.210 4.550 -0.001 0.000 0.338 558 Y C -0.616 175.174 175.900 -0.183 0.000 0.961 558 Y CA -1.350 56.618 58.100 -0.220 0.000 1.100 558 Y CB 1.940 40.161 38.460 -0.397 0.000 1.179 558 Y HN 0.561 nan 8.280 nan 0.000 0.454 559 A N 9.356 132.015 122.820 -0.269 0.000 2.786 559 A HA 0.486 4.806 4.320 -0.001 0.000 0.346 559 A C -2.838 174.466 177.584 -0.465 0.000 1.265 559 A CA -1.714 50.149 52.037 -0.289 0.000 0.858 559 A CB -0.433 18.525 19.000 -0.070 0.000 1.118 559 A HN 0.511 nan 8.150 nan 0.000 0.482 560 P HA 0.083 nan 4.420 nan 0.000 0.268 560 P C -0.266 176.938 177.300 -0.160 0.000 1.205 560 P CA 0.330 63.080 63.100 -0.583 0.000 0.771 560 P CB 0.831 32.257 31.700 -0.455 0.000 0.858 561 I N 3.277 123.825 120.570 -0.036 0.000 2.363 561 I HA -0.007 4.163 4.170 -0.001 0.000 0.292 561 I C 1.329 177.507 176.117 0.101 0.000 1.075 561 I CA -0.193 61.132 61.300 0.042 0.000 1.333 561 I CB 0.745 38.788 38.000 0.072 0.000 1.415 561 I HN 0.178 nan 8.210 nan 0.000 0.502 562 V N 2.690 122.670 119.914 0.109 0.000 2.982 562 V HA 0.349 4.469 4.120 -0.001 0.000 0.368 562 V C 0.390 176.658 176.094 0.290 0.000 1.350 562 V CA -0.094 62.317 62.300 0.185 0.000 1.251 562 V CB -0.927 30.963 31.823 0.111 0.000 1.284 562 V HN 0.720 nan 8.190 nan 0.000 0.533 563 S N -0.350 115.482 115.700 0.219 0.000 2.880 563 S HA 0.650 5.120 4.470 -0.001 0.000 0.308 563 S C 0.235 174.657 174.600 -0.298 0.000 1.195 563 S CA -0.635 57.531 58.200 -0.057 0.000 0.866 563 S CB 1.835 64.989 63.200 -0.077 0.000 1.254 563 S HN 0.041 nan 8.310 nan 0.000 0.571 564 K N 0.895 120.994 120.400 -0.501 0.000 2.361 564 K HA 0.342 4.662 4.320 -0.001 0.000 0.196 564 K C 0.257 176.766 176.600 -0.151 0.000 1.039 564 K CA 0.384 56.418 56.287 -0.421 0.000 1.001 564 K CB -0.376 31.840 32.500 -0.474 0.000 0.795 564 K HN 0.611 nan 8.250 nan 0.000 0.495 565 E N 0.859 120.992 120.200 -0.112 0.000 2.461 565 E HA -0.096 4.253 4.350 -0.001 0.000 0.263 565 E C 0.722 177.311 176.600 -0.017 0.000 1.143 565 E CA 0.111 56.479 56.400 -0.053 0.000 0.994 565 E CB 0.377 30.053 29.700 -0.040 0.000 0.973 565 E HN 0.062 nan 8.360 nan 0.000 0.457 566 E N -0.031 120.162 120.200 -0.013 0.000 2.190 566 E HA -0.023 4.327 4.350 -0.001 0.000 0.191 566 E C 0.382 176.977 176.600 -0.007 0.000 0.978 566 E CA 0.563 56.958 56.400 -0.008 0.000 0.839 566 E CB 0.359 30.051 29.700 -0.014 0.000 0.787 566 E HN 0.464 nan 8.360 nan 0.000 0.473 567 S N -0.118 115.582 115.700 -0.001 0.000 2.627 567 S HA 0.741 5.211 4.470 -0.001 0.000 0.283 567 S C -0.331 174.278 174.600 0.014 0.000 1.127 567 S CA -1.069 57.139 58.200 0.012 0.000 0.863 567 S CB 2.675 65.884 63.200 0.016 0.000 1.121 567 S HN 0.138 nan 8.310 nan 0.000 0.479 568 R N 0.098 120.614 120.500 0.025 0.000 2.855 568 R HA 0.715 5.055 4.340 -0.001 0.000 0.266 568 R C -1.401 174.909 176.300 0.016 0.000 1.034 568 R CA -1.175 54.935 56.100 0.016 0.000 0.944 568 R CB 0.749 31.057 30.300 0.014 0.000 1.219 568 R HN 0.565 nan 8.270 nan 0.000 0.474 569 L N 1.701 122.925 121.223 0.001 0.000 2.305 569 L HA 0.401 4.741 4.340 -0.001 0.000 0.281 569 L C -0.629 176.222 176.870 -0.033 0.000 1.085 569 L CA -0.944 53.890 54.840 -0.011 0.000 0.813 569 L CB 1.629 43.679 42.059 -0.014 0.000 1.157 569 L HN 0.354 nan 8.230 nan 0.000 0.436 570 V N 2.298 122.176 119.914 -0.061 0.000 2.417 570 V HA 0.303 4.423 4.120 -0.001 0.000 0.291 570 V C 0.167 176.142 176.094 -0.199 0.000 1.024 570 V CA -0.548 61.672 62.300 -0.134 0.000 0.861 570 V CB 1.884 33.603 31.823 -0.173 0.000 0.985 570 V HN 0.717 nan 8.190 nan 0.000 0.436 571 T N 6.832 121.258 114.554 -0.213 0.000 2.743 571 T HA 0.591 4.941 4.350 -0.001 0.000 0.293 571 T C -0.262 174.213 174.700 -0.375 0.000 0.945 571 T CA -0.137 61.829 62.100 -0.224 0.000 1.030 571 T CB 0.414 69.191 68.868 -0.151 0.000 0.912 571 T HN 0.340 nan 8.240 nan 0.000 0.483 572 L N 6.128 127.106 121.223 -0.409 0.000 2.307 572 L HA 0.443 4.782 4.340 -0.001 0.000 0.284 572 L C -2.203 174.403 176.870 -0.440 0.000 1.023 572 L CA -2.414 52.041 54.840 -0.641 0.000 0.810 572 L CB 1.680 43.357 42.059 -0.636 0.000 1.231 572 L HN 0.343 nan 8.230 nan 0.000 0.423 573 P HA 0.107 nan 4.420 nan 0.000 0.277 573 P C -0.631 176.608 177.300 -0.102 0.000 1.276 573 P CA -0.715 62.085 63.100 -0.501 0.000 0.788 573 P CB 0.455 31.345 31.700 -1.350 0.000 1.114 574 R N 0.352 120.769 120.500 -0.138 0.000 2.697 574 R HA 0.354 4.694 4.340 -0.001 0.000 0.265 574 R C 0.346 176.744 176.300 0.163 0.000 1.009 574 R CA 1.446 57.585 56.100 0.064 0.000 1.099 574 R CB -0.892 29.468 30.300 0.100 0.000 0.965 574 R HN 0.806 nan 8.270 nan 0.000 0.428 575 G N 2.003 110.873 108.800 0.116 0.000 2.603 575 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.686 575 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.686 575 G C -1.411 173.438 174.900 -0.085 0.000 1.286 575 G CA -0.745 44.349 45.100 -0.012 0.000 0.871 575 G HN 0.572 nan 8.290 nan 0.000 0.568 576 K N -0.639 119.631 120.400 -0.216 0.000 2.143 576 K HA 0.548 4.868 4.320 -0.001 0.000 0.272 576 K C -0.973 175.437 176.600 -0.316 0.000 1.001 576 K CA -0.244 55.985 56.287 -0.097 0.000 0.915 576 K CB 1.262 33.786 32.500 0.039 0.000 1.047 576 K HN 0.444 nan 8.250 nan 0.000 0.458 577 W N 2.098 123.537 121.300 0.231 0.000 2.739 577 W HA 0.230 4.890 4.660 -0.001 0.000 0.331 577 W C -0.818 175.925 176.519 0.373 0.000 1.049 577 W CA -0.758 56.769 57.345 0.303 0.000 1.234 577 W CB 0.838 30.397 29.460 0.165 0.000 1.404 577 W HN 0.441 nan 8.180 nan 0.000 0.477 578 Y N 4.299 124.864 120.300 0.441 0.000 2.341 578 Y HA 0.317 4.867 4.550 -0.001 0.000 0.340 578 Y C 0.258 176.286 175.900 0.214 0.000 0.997 578 Y CA -0.889 57.306 58.100 0.160 0.000 1.149 578 Y CB 0.567 38.888 38.460 -0.232 0.000 1.171 578 Y HN 0.379 nan 8.280 nan 0.000 0.494 579 N N 5.695 124.217 118.700 -0.298 0.000 2.416 579 N HA -0.122 4.618 4.740 -0.001 0.000 0.265 579 N C 0.665 175.685 175.510 -0.816 0.000 1.195 579 N CA 0.417 53.219 53.050 -0.413 0.000 0.943 579 N CB 0.126 38.494 38.487 -0.199 0.000 1.115 579 N HN 0.959 nan 8.380 nan 0.000 0.481 580 Y N 4.592 124.448 120.300 -0.740 0.000 2.207 580 Y HA -0.173 4.377 4.550 -0.001 0.000 0.287 580 Y C 0.980 176.451 175.900 -0.716 0.000 1.156 580 Y CA 1.781 59.444 58.100 -0.728 0.000 1.182 580 Y CB -0.064 37.974 38.460 -0.704 0.000 0.979 580 Y HN 0.639 nan 8.280 nan 0.000 0.521 581 W N 0.118 121.202 121.300 -0.359 0.000 2.576 581 W HA 0.002 4.661 4.660 -0.001 0.000 0.275 581 W C 1.463 177.807 176.519 -0.292 0.000 1.241 581 W CA 0.806 57.928 57.345 -0.371 0.000 1.328 581 W CB -0.214 29.061 29.460 -0.309 0.000 1.092 581 W HN 0.250 nan 8.180 nan 0.000 0.586 582 N N -0.769 117.878 118.700 -0.087 0.000 2.241 582 N HA 0.210 4.950 4.740 -0.001 0.000 0.238 582 N C 1.246 176.664 175.510 -0.153 0.000 1.244 582 N CA 0.305 53.307 53.050 -0.080 0.000 0.880 582 N CB 0.176 38.660 38.487 -0.005 0.000 1.179 582 N HN 0.093 nan 8.380 nan 0.000 0.513 583 G N 0.511 109.113 108.800 -0.330 0.000 2.322 583 G HA2 -0.433 3.527 3.960 -0.001 0.000 0.264 583 G HA3 -0.433 3.527 3.960 -0.001 0.000 0.264 583 G C -0.030 174.786 174.900 -0.141 0.000 0.992 583 G CA 0.758 45.700 45.100 -0.263 0.000 0.624 583 G HN 0.769 nan 8.290 nan 0.000 0.543 584 E N 0.496 120.628 120.200 -0.113 0.000 2.442 584 E HA 0.339 4.689 4.350 -0.001 0.000 0.262 584 E C 0.255 176.899 176.600 0.073 0.000 1.004 584 E CA -0.151 56.254 56.400 0.007 0.000 0.928 584 E CB 0.111 29.831 29.700 0.034 0.000 0.937 584 E HN 0.405 nan 8.360 nan 0.000 0.446 585 I N 6.112 126.765 120.570 0.139 0.000 2.362 585 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 585 I C -0.228 176.005 176.117 0.193 0.000 0.994 585 I CA -0.635 60.788 61.300 0.205 0.000 1.158 585 I CB 1.060 39.174 38.000 0.190 0.000 1.315 585 I HN 0.482 nan 8.210 nan 0.000 0.451 586 I N 5.654 126.371 120.570 0.245 0.000 2.603 586 I HA 0.319 4.488 4.170 -0.001 0.000 0.300 586 I C -0.092 176.162 176.117 0.229 0.000 1.017 586 I CA -0.904 60.519 61.300 0.205 0.000 1.098 586 I CB 1.765 39.875 38.000 0.184 0.000 1.279 586 I HN 0.483 nan 8.210 nan 0.000 0.437 587 N N 3.458 122.256 118.700 0.163 0.000 2.470 587 N HA 0.166 4.906 4.740 -0.001 0.000 0.268 587 N C 0.137 175.751 175.510 0.174 0.000 1.136 587 N CA 0.006 53.147 53.050 0.151 0.000 0.961 587 N CB 1.636 40.182 38.487 0.098 0.000 1.067 587 N HN 0.834 nan 8.380 nan 0.000 0.468 588 G N 0.990 109.932 108.800 0.237 0.000 2.690 588 G HA2 0.052 4.012 3.960 -0.001 0.000 0.239 588 G HA3 0.052 4.012 3.960 -0.001 0.000 0.239 588 G C 0.353 175.311 174.900 0.096 0.000 1.233 588 G CA 0.223 45.472 45.100 0.250 0.000 0.847 588 G HN 0.632 nan 8.290 nan 0.000 0.588 589 K N -1.388 119.026 120.400 0.023 0.000 3.335 589 K HA -0.149 4.171 4.320 -0.001 0.000 0.271 589 K C 0.021 176.613 176.600 -0.012 0.000 1.105 589 K CA 1.005 57.284 56.287 -0.013 0.000 0.799 589 K CB -1.675 30.835 32.500 0.017 0.000 1.309 589 K HN 1.648 nan 8.250 nan 0.000 0.469 590 S N -2.009 113.664 115.700 -0.045 0.000 2.615 590 S HA 0.785 5.254 4.470 -0.001 0.000 0.269 590 S C -0.806 173.747 174.600 -0.078 0.000 1.161 590 S CA -0.545 57.632 58.200 -0.038 0.000 0.817 590 S CB 2.283 65.478 63.200 -0.009 0.000 1.131 590 S HN 0.269 nan 8.310 nan 0.000 0.467 591 V N 1.770 121.650 119.914 -0.056 0.000 2.444 591 V HA 0.774 4.894 4.120 -0.001 0.000 0.294 591 V C -0.030 176.036 176.094 -0.048 0.000 1.022 591 V CA -0.260 61.999 62.300 -0.068 0.000 0.850 591 V CB 1.026 32.822 31.823 -0.044 0.000 0.992 591 V HN 1.196 nan 8.190 nan 0.000 0.426 592 V N 2.100 121.976 119.914 -0.063 0.000 3.126 592 V HA 0.711 4.830 4.120 -0.001 0.000 0.314 592 V C -0.472 175.625 176.094 0.005 0.000 1.138 592 V CA -1.153 61.136 62.300 -0.018 0.000 1.034 592 V CB 2.034 33.855 31.823 -0.004 0.000 1.075 592 V HN 0.797 nan 8.190 nan 0.000 0.442 593 K N 1.771 122.193 120.400 0.038 0.000 2.172 593 K HA 0.542 4.862 4.320 -0.001 0.000 0.276 593 K C 0.370 177.028 176.600 0.098 0.000 1.013 593 K CA -0.019 56.297 56.287 0.050 0.000 0.913 593 K CB 1.394 33.917 32.500 0.038 0.000 1.055 593 K HN 1.170 nan 8.250 nan 0.000 0.461 594 S N 1.820 117.585 115.700 0.109 0.000 2.584 594 S HA 0.002 4.472 4.470 -0.001 0.000 0.270 594 S C 0.953 175.622 174.600 0.115 0.000 1.346 594 S CA 0.222 58.519 58.200 0.162 0.000 1.018 594 S CB 1.178 64.463 63.200 0.142 0.000 0.899 594 S HN 0.811 nan 8.310 nan 0.000 0.542 595 T N -2.322 112.308 114.554 0.127 0.000 2.955 595 T HA 0.226 4.576 4.350 -0.001 0.000 0.251 595 T C 0.336 175.073 174.700 0.061 0.000 1.002 595 T CA 0.178 62.330 62.100 0.086 0.000 0.970 595 T CB -0.466 68.461 68.868 0.097 0.000 1.091 595 T HN 0.847 nan 8.240 nan 0.000 0.495 596 H N 0.226 119.257 119.070 -0.065 0.000 2.754 596 H HA 0.554 5.110 4.556 -0.001 0.000 0.352 596 H C 0.878 176.104 175.328 -0.170 0.000 1.213 596 H CA -0.548 55.351 56.048 -0.248 0.000 1.244 596 H CB 1.848 31.224 29.762 -0.642 0.000 1.843 596 H HN -0.018 nan 8.280 nan 0.000 0.587 597 E N 0.714 120.512 120.200 -0.671 0.000 2.347 597 E HA 0.040 4.389 4.350 -0.001 0.000 0.196 597 E C -0.177 176.436 176.600 0.022 0.000 1.008 597 E CA 0.571 56.798 56.400 -0.287 0.000 0.852 597 E CB 0.295 29.773 29.700 -0.371 0.000 0.783 597 E HN 0.337 nan 8.360 nan 0.000 0.505 598 L N 1.576 122.957 121.223 0.264 0.000 2.445 598 L HA 0.317 4.656 4.340 -0.001 0.000 0.252 598 L C -2.505 174.743 176.870 0.630 0.000 1.105 598 L CA -2.062 53.087 54.840 0.516 0.000 0.943 598 L CB 1.121 43.504 42.059 0.540 0.000 1.277 598 L HN -0.318 nan 8.230 nan 0.000 0.465 599 P HA 0.055 nan 4.420 nan 0.000 0.257 599 P C -0.458 177.060 177.300 0.363 0.000 1.359 599 P CA 0.890 64.197 63.100 0.344 0.000 1.239 599 P CB -0.096 31.780 31.700 0.293 0.000 1.549 600 I N 3.892 124.553 120.570 0.152 0.000 2.441 600 I HA 0.389 4.558 4.170 -0.001 0.000 0.295 600 I C -0.240 175.662 176.117 -0.358 0.000 0.994 600 I CA -0.852 60.452 61.300 0.007 0.000 1.144 600 I CB 1.333 39.260 38.000 -0.122 0.000 1.314 600 I HN 0.173 nan 8.210 nan 0.000 0.445 601 Y N 5.397 125.763 120.300 0.108 0.000 2.492 601 Y HA 0.596 5.146 4.550 -0.001 0.000 0.346 601 Y C -0.581 175.529 175.900 0.350 0.000 0.997 601 Y CA -0.853 57.382 58.100 0.225 0.000 1.025 601 Y CB 1.767 40.369 38.460 0.237 0.000 1.263 601 Y HN 0.243 nan 8.280 nan 0.000 0.454 602 L N 4.019 125.592 121.223 0.583 0.000 2.322 602 L HA 0.643 4.982 4.340 -0.001 0.000 0.281 602 L C 0.009 177.182 176.870 0.506 0.000 1.014 602 L CA -1.096 54.039 54.840 0.493 0.000 0.815 602 L CB 1.733 44.041 42.059 0.415 0.000 1.247 602 L HN 0.687 nan 8.230 nan 0.000 0.421 603 R N 1.151 121.746 120.500 0.159 0.000 2.560 603 R HA 0.285 4.624 4.340 -0.001 0.000 0.270 603 R C -0.220 175.850 176.300 -0.383 0.000 1.074 603 R CA -0.738 55.058 56.100 -0.507 0.000 1.140 603 R CB 1.098 30.826 30.300 -0.953 0.000 1.073 603 R HN 0.578 nan 8.270 nan 0.000 0.527 604 E N 0.541 120.353 120.200 -0.646 0.000 2.351 604 E HA 0.153 4.503 4.350 -0.001 0.000 0.266 604 E C -0.285 175.883 176.600 -0.720 0.000 1.031 604 E CA 0.779 56.491 56.400 -1.147 0.000 0.911 604 E CB 0.179 29.418 29.700 -0.769 0.000 0.986 604 E HN 0.882 nan 8.360 nan 0.000 0.446 605 G N 3.202 111.554 108.800 -0.747 0.000 2.919 605 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.225 605 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.225 605 G C -0.622 173.913 174.900 -0.607 0.000 1.117 605 G CA -0.140 44.673 45.100 -0.479 0.000 1.033 605 G HN 0.463 nan 8.290 nan 0.000 0.532 606 S N -0.411 114.841 115.700 -0.748 0.000 2.546 606 S HA 0.822 5.291 4.470 -0.001 0.000 0.274 606 S C -0.294 173.786 174.600 -0.867 0.000 1.121 606 S CA -0.733 56.702 58.200 -1.275 0.000 0.887 606 S CB 2.206 65.021 63.200 -0.640 0.000 1.094 606 S HN 0.595 nan 8.310 nan 0.000 0.474 607 I N 2.727 122.700 120.570 -0.995 0.000 2.500 607 I HA 0.463 4.633 4.170 -0.001 0.000 0.286 607 I C -1.322 174.562 176.117 -0.388 0.000 1.063 607 I CA -0.376 60.677 61.300 -0.412 0.000 1.062 607 I CB 1.414 39.320 38.000 -0.156 0.000 1.223 607 I HN 0.474 nan 8.210 nan 0.000 0.435 608 I N 8.027 128.426 120.570 -0.285 0.000 2.439 608 I HA 0.362 4.532 4.170 -0.001 0.000 0.283 608 I C -2.534 173.534 176.117 -0.080 0.000 1.023 608 I CA -1.913 59.193 61.300 -0.324 0.000 1.100 608 I CB 2.160 39.906 38.000 -0.424 0.000 1.238 608 I HN 0.173 nan 8.210 nan 0.000 0.445 609 P HA 0.385 nan 4.420 nan 0.000 0.279 609 P C -0.881 176.490 177.300 0.119 0.000 1.239 609 P CA -0.096 63.117 63.100 0.189 0.000 0.789 609 P CB 0.864 32.783 31.700 0.365 0.000 0.933 610 L N 0.705 121.962 121.223 0.056 0.000 2.283 610 L HA 0.452 4.791 4.340 -0.001 0.000 0.259 610 L C 0.685 177.591 176.870 0.061 0.000 1.027 610 L CA -1.187 53.637 54.840 -0.028 0.000 0.828 610 L CB 1.677 43.636 42.059 -0.166 0.000 1.380 610 L HN 0.340 nan 8.230 nan 0.000 0.425 611 E N 0.392 120.622 120.200 0.050 0.000 2.437 611 E HA 0.136 4.485 4.350 -0.001 0.000 0.263 611 E C 0.742 177.391 176.600 0.082 0.000 1.030 611 E CA 0.928 57.385 56.400 0.095 0.000 0.934 611 E CB 0.452 30.209 29.700 0.094 0.000 0.943 611 E HN 0.773 nan 8.360 nan 0.000 0.444 612 G N 4.038 112.899 108.800 0.101 0.000 2.221 612 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.265 612 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.265 612 G C 0.198 175.180 174.900 0.136 0.000 1.041 612 G CA 0.300 45.459 45.100 0.099 0.000 0.807 612 G HN 0.879 nan 8.290 nan 0.000 0.502 613 D N -1.159 119.333 120.400 0.153 0.000 3.077 613 D HA -0.149 4.491 4.640 -0.001 0.000 0.217 613 D C 0.649 177.017 176.300 0.114 0.000 1.162 613 D CA 1.773 55.877 54.000 0.173 0.000 0.943 613 D CB -0.792 40.187 40.800 0.299 0.000 1.122 613 D HN 0.840 nan 8.370 nan 0.000 0.413 614 E N -0.288 119.959 120.200 0.078 0.000 2.404 614 E HA 0.366 4.715 4.350 -0.001 0.000 0.261 614 E C -0.068 176.553 176.600 0.035 0.000 1.074 614 E CA -0.099 56.322 56.400 0.035 0.000 0.917 614 E CB 1.005 30.704 29.700 -0.001 0.000 0.965 614 E HN 0.067 nan 8.360 nan 0.000 0.433 615 L N 3.153 124.388 121.223 0.020 0.000 2.493 615 L HA 0.445 4.785 4.340 -0.001 0.000 0.265 615 L C -1.591 175.273 176.870 -0.011 0.000 0.954 615 L CA -0.206 54.648 54.840 0.024 0.000 0.844 615 L CB 1.609 43.713 42.059 0.076 0.000 1.302 615 L HN 0.420 nan 8.230 nan 0.000 0.405 616 I N 5.076 125.621 120.570 -0.041 0.000 2.433 616 I HA 0.684 4.854 4.170 -0.001 0.000 0.292 616 I C -0.918 175.146 176.117 -0.089 0.000 1.001 616 I CA -0.994 60.272 61.300 -0.058 0.000 1.119 616 I CB 1.996 39.971 38.000 -0.042 0.000 1.289 616 I HN 0.239 nan 8.210 nan 0.000 0.438 617 V N 6.053 125.915 119.914 -0.086 0.000 2.709 617 V HA 0.433 4.552 4.120 -0.001 0.000 0.308 617 V C -1.492 174.569 176.094 -0.055 0.000 1.062 617 V CA -0.756 61.484 62.300 -0.101 0.000 0.901 617 V CB 2.241 34.014 31.823 -0.083 0.000 1.003 617 V HN 0.577 nan 8.190 nan 0.000 0.425 618 Y N 3.530 123.673 120.300 -0.263 0.000 2.287 618 Y HA 0.663 5.213 4.550 -0.001 0.000 0.325 618 Y C 0.083 175.839 175.900 -0.240 0.000 1.139 618 Y CA -0.027 57.914 58.100 -0.265 0.000 1.167 618 Y CB 1.267 39.535 38.460 -0.320 0.000 1.158 618 Y HN 1.228 nan 8.280 nan 0.000 0.434 619 G N 4.543 113.228 108.800 -0.192 0.000 2.681 619 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.220 619 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.220 619 G C -1.118 173.640 174.900 -0.236 0.000 1.353 619 G CA -0.375 44.531 45.100 -0.323 0.000 0.872 619 G HN 0.691 nan 8.290 nan 0.000 0.557 620 E N -0.062 120.007 120.200 -0.220 0.000 2.151 620 E HA 0.652 5.002 4.350 -0.001 0.000 0.275 620 E C 0.071 176.582 176.600 -0.149 0.000 0.936 620 E CA 0.039 56.345 56.400 -0.157 0.000 0.777 620 E CB 1.993 31.626 29.700 -0.111 0.000 1.108 620 E HN 0.718 nan 8.360 nan 0.000 0.401 621 T N 0.863 115.344 114.554 -0.121 0.000 2.658 621 T HA 0.356 4.706 4.350 -0.001 0.000 0.305 621 T C -1.759 172.939 174.700 -0.004 0.000 1.551 621 T CA -0.555 61.513 62.100 -0.053 0.000 0.985 621 T CB 1.674 70.487 68.868 -0.092 0.000 1.731 621 T HN 0.257 nan 8.240 nan 0.000 0.486 622 S N 0.743 116.503 115.700 0.099 0.000 2.571 622 S HA 0.804 5.274 4.470 -0.001 0.000 0.284 622 S C -1.999 172.770 174.600 0.282 0.000 1.128 622 S CA -0.546 57.720 58.200 0.111 0.000 0.970 622 S CB 0.880 64.112 63.200 0.054 0.000 1.039 622 S HN 0.600 nan 8.310 nan 0.000 0.485 623 F N 4.050 124.038 119.950 0.064 0.000 2.561 623 F HA 0.550 5.076 4.527 -0.001 0.000 0.313 623 F C -0.716 175.115 175.800 0.052 0.000 1.126 623 F CA -0.747 57.328 58.000 0.125 0.000 0.918 623 F CB 1.559 40.712 39.000 0.255 0.000 1.199 623 F HN 0.554 nan 8.300 nan 0.000 0.444 624 K N 6.190 126.171 120.400 -0.697 0.000 2.248 624 K HA 0.405 4.724 4.320 -0.001 0.000 0.281 624 K C -0.230 175.839 176.600 -0.885 0.000 1.054 624 K CA -0.634 55.305 56.287 -0.580 0.000 0.903 624 K CB 0.902 33.183 32.500 -0.365 0.000 1.077 624 K HN 0.871 nan 8.250 nan 0.000 0.474 625 R N 2.651 122.870 120.500 -0.468 0.000 2.560 625 R HA 0.034 4.374 4.340 -0.001 0.000 0.270 625 R C 0.986 177.149 176.300 -0.228 0.000 1.074 625 R CA -0.187 55.742 56.100 -0.286 0.000 1.140 625 R CB 0.341 30.560 30.300 -0.134 0.000 1.073 625 R HN 0.741 nan 8.270 nan 0.000 0.527 626 Y N 0.312 120.573 120.300 -0.064 0.000 2.384 626 Y HA -0.146 4.404 4.550 -0.001 0.000 0.289 626 Y C 0.798 176.694 175.900 -0.006 0.000 1.152 626 Y CA 1.230 59.285 58.100 -0.075 0.000 1.258 626 Y CB -0.289 38.191 38.460 0.035 0.000 0.979 626 Y HN 0.575 nan 8.280 nan 0.000 0.549 627 D N 0.526 120.658 120.400 -0.446 0.000 2.434 627 D HA -0.010 4.629 4.640 -0.001 0.000 0.232 627 D C 0.202 176.430 176.300 -0.120 0.000 1.166 627 D CA 0.322 54.189 54.000 -0.222 0.000 0.830 627 D CB -1.437 39.158 40.800 -0.342 0.000 0.960 627 D HN 0.701 nan 8.370 nan 0.000 0.497 628 N N -1.167 117.465 118.700 -0.113 0.000 2.713 628 N HA -0.270 4.470 4.740 -0.001 0.000 0.251 628 N C -0.482 174.977 175.510 -0.086 0.000 1.117 628 N CA 1.103 54.098 53.050 -0.092 0.000 0.770 628 N CB -2.111 36.347 38.487 -0.049 0.000 1.137 628 N HN 0.399 nan 8.380 nan 0.000 0.566 629 A N -0.125 122.635 122.820 -0.100 0.000 2.302 629 A HA 0.430 4.750 4.320 -0.001 0.000 0.295 629 A C 0.190 177.733 177.584 -0.068 0.000 1.235 629 A CA -0.387 51.622 52.037 -0.046 0.000 0.876 629 A CB 0.303 19.297 19.000 -0.010 0.000 1.133 629 A HN 0.379 nan 8.150 nan 0.000 0.533 630 E N 2.182 122.350 120.200 -0.054 0.000 2.227 630 E HA 0.417 4.767 4.350 -0.001 0.000 0.282 630 E C -0.867 175.666 176.600 -0.112 0.000 1.015 630 E CA -0.058 56.292 56.400 -0.084 0.000 0.823 630 E CB 1.355 31.015 29.700 -0.068 0.000 1.081 630 E HN 0.618 nan 8.360 nan 0.000 0.396 631 I N 2.159 122.640 120.570 -0.147 0.000 2.433 631 I HA 0.272 4.441 4.170 -0.001 0.000 0.292 631 I C -0.308 175.690 176.117 -0.199 0.000 1.001 631 I CA -0.481 60.621 61.300 -0.330 0.000 1.119 631 I CB 2.043 39.842 38.000 -0.336 0.000 1.289 631 I HN 0.330 nan 8.210 nan 0.000 0.438 632 T N 3.289 117.693 114.554 -0.249 0.000 2.881 632 T HA 0.407 4.756 4.350 -0.001 0.000 0.290 632 T C -0.432 174.183 174.700 -0.143 0.000 1.000 632 T CA -0.777 61.242 62.100 -0.135 0.000 0.978 632 T CB 1.627 70.445 68.868 -0.083 0.000 0.997 632 T HN 0.657 nan 8.240 nan 0.000 0.443 633 S N 1.763 117.395 115.700 -0.115 0.000 2.473 633 S HA 0.851 5.321 4.470 -0.001 0.000 0.307 633 S C 0.077 174.627 174.600 -0.084 0.000 1.094 633 S CA -0.635 57.502 58.200 -0.106 0.000 1.070 633 S CB 1.439 64.564 63.200 -0.125 0.000 1.019 633 S HN 0.816 nan 8.310 nan 0.000 0.480 634 S N 2.064 117.724 115.700 -0.067 0.000 2.921 634 S HA 0.612 5.082 4.470 -0.001 0.000 0.315 634 S C 1.371 175.938 174.600 -0.054 0.000 1.087 634 S CA -0.073 58.093 58.200 -0.057 0.000 0.877 634 S CB 0.236 63.411 63.200 -0.042 0.000 1.340 634 S HN 1.362 nan 8.310 nan 0.000 0.622 635 S N 2.122 117.794 115.700 -0.046 0.000 2.432 635 S HA -0.265 4.205 4.470 -0.001 0.000 0.266 635 S C 0.749 175.323 174.600 -0.044 0.000 1.076 635 S CA 1.850 60.024 58.200 -0.043 0.000 1.320 635 S CB -1.235 61.945 63.200 -0.034 0.000 1.222 635 S HN 0.795 nan 8.310 nan 0.000 0.439 636 N N 1.619 120.297 118.700 -0.038 0.000 2.451 636 N HA 0.350 5.090 4.740 -0.001 0.000 0.271 636 N C -0.826 174.668 175.510 -0.027 0.000 1.410 636 N CA -0.016 53.011 53.050 -0.038 0.000 0.884 636 N CB 1.181 39.645 38.487 -0.039 0.000 1.332 636 N HN 0.761 nan 8.380 nan 0.000 0.498 637 E N 0.891 121.076 120.200 -0.025 0.000 2.340 637 E HA 0.507 4.857 4.350 -0.001 0.000 0.273 637 E C -1.301 175.291 176.600 -0.014 0.000 0.891 637 E CA -0.530 55.865 56.400 -0.009 0.000 0.757 637 E CB 2.008 31.705 29.700 -0.006 0.000 1.231 637 E HN 0.020 nan 8.360 nan 0.000 0.439 638 I N 3.841 124.422 120.570 0.019 0.000 2.493 638 I HA 0.292 4.462 4.170 -0.001 0.000 0.279 638 I C -0.473 175.672 176.117 0.046 0.000 1.045 638 I CA -0.656 60.635 61.300 -0.015 0.000 1.106 638 I CB 1.494 39.504 38.000 0.017 0.000 1.216 638 I HN 0.288 nan 8.210 nan 0.000 0.459 639 K N 4.996 125.366 120.400 -0.049 0.000 2.098 639 K HA 0.675 4.995 4.320 -0.001 0.000 0.257 639 K C -1.248 175.277 176.600 -0.126 0.000 0.999 639 K CA -0.439 55.877 56.287 0.048 0.000 0.924 639 K CB 1.298 33.807 32.500 0.015 0.000 1.028 639 K HN 0.195 nan 8.250 nan 0.000 0.466 640 F N 0.070 120.015 119.950 -0.007 0.000 2.539 640 F HA 0.097 4.623 4.527 -0.001 0.000 0.318 640 F C 1.255 177.049 175.800 -0.009 0.000 1.135 640 F CA -0.909 57.087 58.000 -0.006 0.000 0.915 640 F CB 1.943 40.938 39.000 -0.008 0.000 1.176 640 F HN 0.624 nan 8.300 nan 0.000 0.440 641 S N 2.809 118.576 115.700 0.112 0.000 2.493 641 S HA -0.051 4.419 4.470 -0.001 0.000 0.243 641 S C 0.513 175.158 174.600 0.074 0.000 0.991 641 S CA 0.802 59.040 58.200 0.062 0.000 0.957 641 S CB -0.325 62.886 63.200 0.018 0.000 0.756 641 S HN 0.795 nan 8.310 nan 0.000 0.521 642 R N -0.788 119.782 120.500 0.117 0.000 2.752 642 R HA 0.360 4.700 4.340 -0.001 0.000 0.277 642 R C -1.570 174.773 176.300 0.072 0.000 1.024 642 R CA -0.966 55.179 56.100 0.075 0.000 0.866 642 R CB 0.298 30.626 30.300 0.045 0.000 1.278 642 R HN 0.143 nan 8.270 nan 0.000 0.473 643 E N 1.776 121.988 120.200 0.020 0.000 2.351 643 E HA 0.297 4.647 4.350 -0.001 0.000 0.266 643 E C -0.455 176.138 176.600 -0.012 0.000 1.031 643 E CA -0.334 56.051 56.400 -0.026 0.000 0.911 643 E CB 0.485 30.172 29.700 -0.022 0.000 0.986 643 E HN 0.408 nan 8.360 nan 0.000 0.446 644 I N 1.388 121.921 120.570 -0.061 0.000 2.894 644 I HA 0.392 4.562 4.170 -0.001 0.000 0.302 644 I C -1.257 174.847 176.117 -0.020 0.000 1.188 644 I CA -1.318 59.984 61.300 0.004 0.000 1.014 644 I CB 1.325 39.370 38.000 0.074 0.000 1.242 644 I HN 0.434 nan 8.210 nan 0.000 0.430 645 Y N 4.438 124.705 120.300 -0.054 0.000 2.336 645 Y HA 0.643 5.192 4.550 -0.001 0.000 0.331 645 Y C -0.823 175.055 175.900 -0.036 0.000 1.211 645 Y CA 0.068 58.137 58.100 -0.052 0.000 1.346 645 Y CB 1.295 39.742 38.460 -0.021 0.000 1.271 645 Y HN 0.441 nan 8.280 nan 0.000 0.538 646 V N 6.683 126.208 119.914 -0.648 0.000 2.524 646 V HA 0.167 4.287 4.120 -0.001 0.000 0.297 646 V C 0.145 175.907 176.094 -0.554 0.000 1.035 646 V CA 0.024 62.095 62.300 -0.382 0.000 0.867 646 V CB 1.121 32.800 31.823 -0.239 0.000 1.004 646 V HN 1.009 nan 8.190 nan 0.000 0.426 647 S N 4.339 119.907 115.700 -0.220 0.000 2.288 647 S HA 0.142 4.612 4.470 -0.001 0.000 0.191 647 S C 0.708 175.264 174.600 -0.074 0.000 1.028 647 S CA 0.347 58.496 58.200 -0.086 0.000 1.030 647 S CB 0.039 63.314 63.200 0.126 0.000 0.932 647 S HN 0.620 nan 8.310 nan 0.000 0.463 648 K N 0.657 121.046 120.400 -0.019 0.000 2.182 648 K HA 0.567 4.886 4.320 -0.001 0.000 0.262 648 K C -1.566 175.024 176.600 -0.016 0.000 0.957 648 K CA -0.908 55.367 56.287 -0.020 0.000 0.842 648 K CB 1.264 33.760 32.500 -0.007 0.000 1.099 648 K HN 0.361 nan 8.250 nan 0.000 0.438 649 L N 3.104 124.317 121.223 -0.017 0.000 2.341 649 L HA 0.505 4.844 4.340 -0.001 0.000 0.278 649 L C -1.309 175.556 176.870 -0.007 0.000 1.005 649 L CA 0.228 55.065 54.840 -0.004 0.000 0.818 649 L CB 2.070 44.132 42.059 0.006 0.000 1.259 649 L HN 0.662 nan 8.230 nan 0.000 0.418 650 T N 6.459 121.003 114.554 -0.016 0.000 2.792 650 T HA 0.626 4.975 4.350 -0.001 0.000 0.280 650 T C -0.291 174.386 174.700 -0.038 0.000 0.990 650 T CA -0.124 61.960 62.100 -0.026 0.000 0.960 650 T CB 0.865 69.706 68.868 -0.045 0.000 0.939 650 T HN 0.453 nan 8.240 nan 0.000 0.439 651 I N 3.050 123.612 120.570 -0.013 0.000 2.389 651 I HA 0.379 4.549 4.170 -0.001 0.000 0.288 651 I C 0.511 176.604 176.117 -0.040 0.000 0.999 651 I CA -0.797 60.490 61.300 -0.021 0.000 1.129 651 I CB 1.970 39.980 38.000 0.016 0.000 1.288 651 I HN 0.583 nan 8.210 nan 0.000 0.444 652 T N 3.130 117.552 114.554 -0.219 0.000 2.767 652 T HA 0.619 4.968 4.350 -0.001 0.000 0.284 652 T C -0.565 174.027 174.700 -0.180 0.000 0.973 652 T CA -0.388 61.450 62.100 -0.437 0.000 0.996 652 T CB 1.363 69.376 68.868 -1.425 0.000 0.927 652 T HN 0.581 nan 8.240 nan 0.000 0.456 653 S N 2.320 118.018 115.700 -0.003 0.000 2.535 653 S HA 0.310 4.780 4.470 -0.001 0.000 0.272 653 S C 0.440 175.122 174.600 0.137 0.000 1.149 653 S CA -0.674 57.573 58.200 0.078 0.000 0.888 653 S CB 1.752 64.965 63.200 0.022 0.000 1.110 653 S HN 0.843 nan 8.310 nan 0.000 0.463 654 E N 1.545 121.809 120.200 0.106 0.000 2.358 654 E HA 0.051 4.401 4.350 -0.001 0.000 0.195 654 E C -0.155 176.499 176.600 0.090 0.000 1.010 654 E CA 0.608 57.071 56.400 0.105 0.000 0.856 654 E CB 0.208 29.963 29.700 0.092 0.000 0.795 654 E HN 0.370 nan 8.360 nan 0.000 0.504 655 K N 2.327 122.755 120.400 0.047 0.000 2.183 655 K HA 0.220 4.540 4.320 -0.001 0.000 0.274 655 K C -2.437 174.109 176.600 -0.089 0.000 1.009 655 K CA -2.120 54.164 56.287 -0.005 0.000 0.888 655 K CB 1.187 33.670 32.500 -0.030 0.000 1.078 655 K HN -0.091 nan 8.250 nan 0.000 0.459 656 P HA -0.041 nan 4.420 nan 0.000 0.266 656 P C -0.606 176.413 177.300 -0.468 0.000 1.195 656 P CA -0.114 62.839 63.100 -0.244 0.000 0.768 656 P CB 0.670 32.353 31.700 -0.029 0.000 0.838 657 V N 2.602 121.968 119.914 -0.914 0.000 2.495 657 V HA 0.191 4.311 4.120 -0.001 0.000 0.298 657 V C 1.474 177.377 176.094 -0.319 0.000 1.031 657 V CA 0.058 62.005 62.300 -0.588 0.000 0.871 657 V CB 1.348 32.760 31.823 -0.685 0.000 0.988 657 V HN 0.743 nan 8.190 nan 0.000 0.432 658 S N 3.203 118.805 115.700 -0.163 0.000 2.502 658 S HA 0.279 4.748 4.470 -0.001 0.000 0.228 658 S C 0.390 174.962 174.600 -0.046 0.000 1.061 658 S CA 0.022 58.178 58.200 -0.073 0.000 0.935 658 S CB 0.200 63.368 63.200 -0.053 0.000 0.809 658 S HN 0.847 nan 8.310 nan 0.000 0.510 659 K N 0.441 120.807 120.400 -0.057 0.000 2.617 659 K HA 0.635 4.954 4.320 -0.001 0.000 0.293 659 K C -1.619 174.956 176.600 -0.043 0.000 1.034 659 K CA -1.201 55.063 56.287 -0.038 0.000 0.884 659 K CB 0.906 33.390 32.500 -0.027 0.000 1.541 659 K HN 0.338 nan 8.250 nan 0.000 0.409 660 I N -1.611 118.940 120.570 -0.032 0.000 2.892 660 I HA 0.635 4.805 4.170 -0.001 0.000 0.306 660 I C -1.060 175.041 176.117 -0.026 0.000 1.078 660 I CA -1.436 59.846 61.300 -0.029 0.000 1.032 660 I CB 1.955 39.941 38.000 -0.024 0.000 1.229 660 I HN 0.547 nan 8.210 nan 0.000 0.435 661 I N 4.341 124.897 120.570 -0.023 0.000 2.418 661 I HA 0.376 4.545 4.170 -0.001 0.000 0.287 661 I C -0.579 175.523 176.117 -0.025 0.000 1.008 661 I CA -1.033 60.253 61.300 -0.024 0.000 1.104 661 I CB 1.998 39.986 38.000 -0.020 0.000 1.264 661 I HN 0.310 nan 8.210 nan 0.000 0.438 662 V N 5.592 125.484 119.914 -0.036 0.000 2.432 662 V HA 0.115 4.234 4.120 -0.001 0.000 0.271 662 V C 0.271 176.338 176.094 -0.045 0.000 1.046 662 V CA -0.304 61.965 62.300 -0.052 0.000 0.945 662 V CB 0.725 32.504 31.823 -0.073 0.000 0.992 662 V HN 0.835 nan 8.190 nan 0.000 0.471 663 D N 4.109 124.484 120.400 -0.042 0.000 2.692 663 D HA -0.203 4.436 4.640 -0.001 0.000 0.233 663 D C 0.647 176.934 176.300 -0.022 0.000 1.172 663 D CA 1.124 55.105 54.000 -0.031 0.000 0.636 663 D CB -0.583 40.191 40.800 -0.044 0.000 1.028 663 D HN 0.941 nan 8.370 nan 0.000 0.419 664 D N -2.595 117.795 120.400 -0.017 0.000 3.070 664 D HA -0.258 4.381 4.640 -0.001 0.000 0.220 664 D C 1.162 177.452 176.300 -0.017 0.000 1.176 664 D CA 1.737 55.729 54.000 -0.014 0.000 0.924 664 D CB -1.197 39.596 40.800 -0.010 0.000 1.124 664 D HN 0.610 nan 8.370 nan 0.000 0.411 665 S N -0.802 114.885 115.700 -0.021 0.000 3.375 665 S HA 0.128 4.598 4.470 -0.001 0.000 0.178 665 S C 0.554 175.140 174.600 -0.023 0.000 0.868 665 S CA -0.388 57.800 58.200 -0.021 0.000 1.129 665 S CB 1.088 64.275 63.200 -0.022 0.000 1.035 665 S HN 0.124 nan 8.310 nan 0.000 0.840 666 K N 2.343 122.727 120.400 -0.027 0.000 2.511 666 K HA 0.031 4.350 4.320 -0.001 0.000 0.280 666 K C -0.786 175.797 176.600 -0.029 0.000 1.008 666 K CA 0.576 56.846 56.287 -0.027 0.000 1.050 666 K CB 0.087 32.567 32.500 -0.032 0.000 0.889 666 K HN 0.440 nan 8.250 nan 0.000 0.484 667 E N 4.285 124.470 120.200 -0.024 0.000 2.175 667 E HA 0.304 4.654 4.350 -0.001 0.000 0.278 667 E C -0.593 175.993 176.600 -0.024 0.000 0.969 667 E CA -0.588 55.797 56.400 -0.024 0.000 0.796 667 E CB 1.365 31.053 29.700 -0.020 0.000 1.104 667 E HN 0.466 nan 8.360 nan 0.000 0.395 668 I N 2.498 123.053 120.570 -0.025 0.000 2.530 668 I HA 0.184 4.354 4.170 -0.001 0.000 0.297 668 I C -0.004 176.102 176.117 -0.018 0.000 1.011 668 I CA -0.821 60.465 61.300 -0.023 0.000 1.107 668 I CB 1.838 39.820 38.000 -0.031 0.000 1.285 668 I HN 0.328 nan 8.210 nan 0.000 0.436 669 Q N 3.426 123.219 119.800 -0.011 0.000 2.259 669 Q HA 0.513 4.853 4.340 -0.001 0.000 0.246 669 Q C -0.861 175.142 176.000 0.006 0.000 0.920 669 Q CA -0.657 55.144 55.803 -0.004 0.000 0.895 669 Q CB 2.356 31.094 28.738 -0.000 0.000 1.220 669 Q HN 0.378 nan 8.270 nan 0.000 0.439 670 V N 1.153 121.078 119.914 0.018 0.000 2.834 670 V HA 0.319 4.439 4.120 -0.001 0.000 0.313 670 V C -0.314 175.825 176.094 0.075 0.000 1.060 670 V CA -0.570 61.760 62.300 0.049 0.000 0.989 670 V CB 1.694 33.550 31.823 0.056 0.000 1.041 670 V HN 0.764 nan 8.190 nan 0.000 0.459 671 E N 2.184 122.437 120.200 0.090 0.000 2.241 671 E HA 0.303 4.653 4.350 -0.001 0.000 0.263 671 E C -0.825 175.802 176.600 0.044 0.000 0.882 671 E CA -0.741 55.697 56.400 0.062 0.000 0.769 671 E CB 1.431 31.142 29.700 0.019 0.000 1.185 671 E HN 0.603 nan 8.360 nan 0.000 0.415 672 K N 3.772 124.182 120.400 0.017 0.000 2.228 672 K HA 0.063 4.383 4.320 -0.001 0.000 0.284 672 K C 0.882 177.380 176.600 -0.170 0.000 1.088 672 K CA 0.289 56.456 56.287 -0.201 0.000 0.941 672 K CB 0.237 32.635 32.500 -0.169 0.000 1.158 672 K HN 0.620 nan 8.250 nan 0.000 0.438 673 T N 1.556 116.003 114.554 -0.177 0.000 2.985 673 T HA -0.015 4.335 4.350 -0.001 0.000 0.266 673 T C 0.870 175.496 174.700 -0.124 0.000 1.076 673 T CA 0.511 62.539 62.100 -0.119 0.000 1.135 673 T CB -0.326 68.484 68.868 -0.097 0.000 0.890 673 T HN 0.692 nan 8.240 nan 0.000 0.480 674 M N -0.452 119.043 119.600 -0.175 0.000 2.956 674 M HA 0.322 4.801 4.480 -0.001 0.000 0.272 674 M C -1.650 174.544 176.300 -0.177 0.000 1.132 674 M CA -1.328 53.891 55.300 -0.136 0.000 0.805 674 M CB 1.546 34.088 32.600 -0.097 0.000 1.639 674 M HN 0.052 nan 8.290 nan 0.000 0.520 675 Q N 1.699 121.432 119.800 -0.111 0.000 2.368 675 Q HA 0.037 4.376 4.340 -0.001 0.000 0.331 675 Q C -0.390 175.561 176.000 -0.082 0.000 1.086 675 Q CA 1.150 56.900 55.803 -0.088 0.000 1.031 675 Q CB -0.239 28.482 28.738 -0.028 0.000 1.125 675 Q HN 0.855 nan 8.270 nan 0.000 0.389 676 N N 0.281 118.918 118.700 -0.105 0.000 2.857 676 N HA -0.153 4.586 4.740 -0.001 0.000 0.242 676 N C -0.977 174.441 175.510 -0.153 0.000 0.983 676 N CA 1.750 54.782 53.050 -0.030 0.000 0.934 676 N CB -1.448 37.077 38.487 0.064 0.000 1.115 676 N HN 0.760 nan 8.380 nan 0.000 0.593 677 T N 1.159 115.494 114.554 -0.364 0.000 2.770 677 T HA 0.562 4.911 4.350 -0.001 0.000 0.283 677 T C -0.536 173.829 174.700 -0.558 0.000 0.988 677 T CA -0.324 61.592 62.100 -0.307 0.000 0.957 677 T CB 0.797 69.590 68.868 -0.124 0.000 0.930 677 T HN 0.044 nan 8.240 nan 0.000 0.443 678 Y N 1.383 121.643 120.300 -0.066 0.000 2.350 678 Y HA 0.594 5.144 4.550 -0.001 0.000 0.338 678 Y C -0.008 175.860 175.900 -0.053 0.000 0.961 678 Y CA -1.140 56.929 58.100 -0.051 0.000 1.100 678 Y CB 1.273 39.704 38.460 -0.048 0.000 1.179 678 Y HN 0.343 nan 8.280 nan 0.000 0.454 679 V N 2.156 122.113 119.914 0.071 0.000 2.975 679 V HA 0.930 5.050 4.120 -0.001 0.000 0.318 679 V C -0.383 175.731 176.094 0.033 0.000 1.077 679 V CA -0.973 61.344 62.300 0.028 0.000 1.000 679 V CB 1.770 33.589 31.823 -0.007 0.000 1.066 679 V HN 0.850 nan 8.190 nan 0.000 0.452 680 A N 2.358 125.184 122.820 0.010 0.000 2.466 680 A HA 0.563 4.883 4.320 -0.001 0.000 0.284 680 A C -0.734 176.839 177.584 -0.017 0.000 1.049 680 A CA -0.767 51.270 52.037 -0.000 0.000 0.760 680 A CB 0.972 19.970 19.000 -0.002 0.000 1.274 680 A HN 0.739 nan 8.150 nan 0.000 0.412 681 K N 3.463 123.852 120.400 -0.019 0.000 2.250 681 K HA 0.390 4.710 4.320 -0.001 0.000 0.285 681 K C 0.217 176.789 176.600 -0.047 0.000 1.097 681 K CA -0.147 56.123 56.287 -0.027 0.000 0.913 681 K CB 0.778 33.270 32.500 -0.014 0.000 1.179 681 K HN 0.697 nan 8.250 nan 0.000 0.462 682 I N 1.185 121.706 120.570 -0.081 0.000 2.512 682 I HA -0.172 3.998 4.170 -0.001 0.000 0.247 682 I C 0.222 176.242 176.117 -0.162 0.000 1.094 682 I CA 0.000 61.226 61.300 -0.124 0.000 1.427 682 I CB -0.039 37.862 38.000 -0.165 0.000 1.149 682 I HN 0.670 nan 8.210 nan 0.000 0.438 683 N N 3.364 121.929 118.700 -0.225 0.000 2.699 683 N HA -0.219 4.520 4.740 -0.001 0.000 0.256 683 N C -0.341 175.032 175.510 -0.229 0.000 0.993 683 N CA 0.982 53.907 53.050 -0.209 0.000 0.759 683 N CB -1.055 37.451 38.487 0.032 0.000 0.906 683 N HN 0.711 nan 8.380 nan 0.000 0.541 684 Q N -2.211 117.261 119.800 -0.548 0.000 2.687 684 Q HA 0.421 4.761 4.340 -0.001 0.000 0.295 684 Q C -1.398 174.407 176.000 -0.326 0.000 0.920 684 Q CA -1.098 54.565 55.803 -0.235 0.000 0.766 684 Q CB 1.355 30.029 28.738 -0.108 0.000 1.467 684 Q HN -0.012 nan 8.270 nan 0.000 0.415 685 K N 1.003 121.367 120.400 -0.060 0.000 2.298 685 K HA 0.414 4.734 4.320 -0.001 0.000 0.280 685 K C -0.699 175.801 176.600 -0.166 0.000 1.032 685 K CA -0.083 56.162 56.287 -0.069 0.000 0.958 685 K CB 0.654 33.169 32.500 0.024 0.000 0.978 685 K HN 0.409 nan 8.250 nan 0.000 0.472 686 I N 4.181 124.591 120.570 -0.267 0.000 2.354 686 I HA 0.190 4.359 4.170 -0.001 0.000 0.286 686 I C 1.295 177.230 176.117 -0.303 0.000 1.007 686 I CA -0.477 60.614 61.300 -0.347 0.000 1.167 686 I CB 1.391 39.018 38.000 -0.621 0.000 1.320 686 I HN 0.574 nan 8.210 nan 0.000 0.458 687 R N 3.761 124.156 120.500 -0.175 0.000 2.096 687 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 687 R C 1.475 177.731 176.300 -0.074 0.000 1.127 687 R CA 1.566 57.605 56.100 -0.102 0.000 0.968 687 R CB 0.075 30.341 30.300 -0.058 0.000 0.861 687 R HN 0.901 nan 8.270 nan 0.000 0.440 688 G N -0.397 108.360 108.800 -0.072 0.000 3.163 688 G HA2 0.047 4.007 3.960 -0.001 0.000 0.152 688 G HA3 0.047 4.007 3.960 -0.001 0.000 0.152 688 G C -0.445 174.548 174.900 0.155 0.000 1.379 688 G CA -0.191 44.937 45.100 0.047 0.000 0.789 688 G HN 0.246 nan 8.290 nan 0.000 0.960 689 K N -0.617 119.827 120.400 0.074 0.000 2.658 689 K HA 0.729 5.049 4.320 -0.001 0.000 0.293 689 K C -2.030 174.619 176.600 0.082 0.000 1.026 689 K CA -0.960 55.429 56.287 0.169 0.000 0.871 689 K CB 1.122 33.691 32.500 0.116 0.000 1.524 689 K HN 0.017 nan 8.250 nan 0.000 0.400 690 I N 0.763 121.411 120.570 0.131 0.000 2.686 690 I HA 0.359 4.529 4.170 -0.001 0.000 0.295 690 I C -1.476 174.668 176.117 0.046 0.000 1.114 690 I CA -1.041 60.300 61.300 0.068 0.000 1.038 690 I CB 2.568 40.626 38.000 0.097 0.000 1.238 690 I HN 0.671 nan 8.210 nan 0.000 0.420 691 N N 4.458 123.165 118.700 0.013 0.000 2.240 691 N HA 0.698 5.438 4.740 -0.001 0.000 0.302 691 N C -1.591 173.908 175.510 -0.018 0.000 1.106 691 N CA -0.635 52.414 53.050 -0.002 0.000 0.778 691 N CB 2.044 40.526 38.487 -0.007 0.000 1.431 691 N HN 0.242 nan 8.380 nan 0.000 0.479 692 L N 1.449 122.654 121.223 -0.031 0.000 2.309 692 L HA 0.468 4.807 4.340 -0.001 0.000 0.282 692 L C 0.328 177.164 176.870 -0.056 0.000 1.036 692 L CA -0.321 54.488 54.840 -0.052 0.000 0.806 692 L CB 0.991 43.010 42.059 -0.068 0.000 1.220 692 L HN 0.470 nan 8.230 nan 0.000 0.429 693 E N 0.000 120.162 120.200 -0.064 0.000 2.725 693 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 693 E CA 0.000 56.365 56.400 -0.059 0.000 0.976 693 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440