REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2g3n_1_B 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 0.000 176.121 176.117 0.007 0.000 1.063 3 I CA 0.000 61.306 61.300 0.009 0.000 1.566 3 I CB 0.000 38.011 38.000 0.019 0.000 1.214 4 L N 6.505 127.722 121.223 -0.010 0.000 2.341 4 L HA 0.697 5.037 4.340 -0.000 0.000 0.278 4 L C -1.073 175.754 176.870 -0.072 0.000 1.005 4 L CA -0.049 54.776 54.840 -0.025 0.000 0.818 4 L CB 1.434 43.482 42.059 -0.018 0.000 1.259 4 L HN 0.352 nan 8.230 nan 0.000 0.418 5 K N 6.529 126.863 120.400 -0.111 0.000 2.482 5 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 5 K C -1.512 174.881 176.600 -0.346 0.000 0.936 5 K CA -0.519 55.618 56.287 -0.250 0.000 0.791 5 K CB 2.356 34.713 32.500 -0.237 0.000 1.213 5 K HN 0.552 nan 8.250 nan 0.000 0.428 6 I N 3.615 123.926 120.570 -0.432 0.000 2.418 6 I HA 0.360 4.529 4.170 -0.000 0.000 0.287 6 I C -0.817 175.049 176.117 -0.418 0.000 1.008 6 I CA -0.867 60.242 61.300 -0.318 0.000 1.104 6 I CB 0.803 38.716 38.000 -0.145 0.000 1.264 6 I HN 0.502 nan 8.210 nan 0.000 0.438 7 Y N 3.764 124.033 120.300 -0.052 0.000 2.654 7 Y HA 0.687 5.237 4.550 -0.000 0.000 0.328 7 Y C 0.172 176.035 175.900 -0.060 0.000 1.174 7 Y CA -0.751 57.320 58.100 -0.047 0.000 1.293 7 Y CB 1.185 39.609 38.460 -0.059 0.000 1.464 7 Y HN 0.510 nan 8.280 nan 0.000 0.559 8 E N 0.494 120.737 120.200 0.071 0.000 2.388 8 E HA 0.296 4.646 4.350 -0.000 0.000 0.282 8 E C -2.144 174.380 176.600 -0.126 0.000 1.026 8 E CA -0.775 55.533 56.400 -0.153 0.000 0.820 8 E CB 1.804 31.316 29.700 -0.314 0.000 1.226 8 E HN 0.769 nan 8.360 nan 0.000 0.432 9 N N 3.172 121.761 118.700 -0.185 0.000 3.063 9 N HA 0.065 4.804 4.740 -0.000 0.000 0.242 9 N C -1.644 173.784 175.510 -0.137 0.000 1.146 9 N CA -0.269 52.707 53.050 -0.122 0.000 0.974 9 N CB 0.676 39.125 38.487 -0.063 0.000 1.584 9 N HN 0.669 nan 8.380 nan 0.000 0.636 10 K N 2.383 122.706 120.400 -0.128 0.000 4.040 10 K HA -0.223 4.097 4.320 -0.000 0.000 0.279 10 K C 0.506 177.036 176.600 -0.117 0.000 0.890 10 K CA 1.201 57.425 56.287 -0.106 0.000 0.782 10 K CB -2.378 30.077 32.500 -0.074 0.000 1.613 10 K HN 0.910 nan 8.250 nan 0.000 0.440 11 G N -0.656 108.047 108.800 -0.161 0.000 2.198 11 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 11 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 11 G C 0.019 174.856 174.900 -0.105 0.000 1.025 11 G CA 0.061 45.090 45.100 -0.118 0.000 0.769 11 G HN 0.823 nan 8.290 nan 0.000 0.507 12 V N 0.489 120.289 119.914 -0.191 0.000 2.439 12 V HA 0.392 4.511 4.120 -0.000 0.000 0.277 12 V C -0.451 175.583 176.094 -0.099 0.000 1.008 12 V CA -1.319 60.944 62.300 -0.061 0.000 0.846 12 V CB 0.669 32.483 31.823 -0.015 0.000 1.031 12 V HN 0.273 nan 8.190 nan 0.000 0.441 13 Y N 2.612 122.915 120.300 0.004 0.000 2.335 13 Y HA 0.421 4.971 4.550 -0.000 0.000 0.331 13 Y C 0.610 176.455 175.900 -0.091 0.000 1.094 13 Y CA -0.272 57.805 58.100 -0.038 0.000 1.253 13 Y CB 0.997 39.406 38.460 -0.085 0.000 1.203 13 Y HN 0.458 nan 8.280 nan 0.000 0.508 14 K N 3.395 123.797 120.400 0.003 0.000 2.316 14 K HA 0.546 4.866 4.320 -0.000 0.000 0.267 14 K C -1.682 174.748 176.600 -0.283 0.000 1.025 14 K CA -0.480 55.635 56.287 -0.286 0.000 0.896 14 K CB 0.653 33.044 32.500 -0.181 0.000 1.124 14 K HN 0.524 nan 8.250 nan 0.000 0.451 15 V N 5.083 124.622 119.914 -0.625 0.000 2.383 15 V HA 0.259 4.379 4.120 -0.000 0.000 0.275 15 V C -0.353 175.457 176.094 -0.473 0.000 1.036 15 V CA -0.840 61.083 62.300 -0.628 0.000 0.889 15 V CB 1.421 32.541 31.823 -1.172 0.000 0.985 15 V HN 0.481 nan 8.190 nan 0.000 0.459 16 V N 6.361 126.164 119.914 -0.184 0.000 2.384 16 V HA 0.471 4.591 4.120 -0.000 0.000 0.287 16 V C -0.208 175.888 176.094 0.004 0.000 1.020 16 V CA -0.513 61.758 62.300 -0.048 0.000 0.850 16 V CB 1.666 33.535 31.823 0.077 0.000 0.987 16 V HN 0.580 nan 8.190 nan 0.000 0.436 17 I N 4.651 125.258 120.570 0.062 0.000 2.330 17 I HA 0.667 4.837 4.170 -0.000 0.000 0.289 17 I C 0.969 177.129 176.117 0.072 0.000 1.001 17 I CA 0.478 61.829 61.300 0.085 0.000 1.193 17 I CB 0.469 38.556 38.000 0.145 0.000 1.345 17 I HN 0.873 nan 8.210 nan 0.000 0.461 18 G N 7.401 116.232 108.800 0.053 0.000 2.547 18 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.271 18 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.271 18 G C -0.122 174.812 174.900 0.056 0.000 1.209 18 G CA -0.259 44.870 45.100 0.048 0.000 0.959 18 G HN 0.636 nan 8.290 nan 0.000 0.563 19 E N 1.652 121.888 120.200 0.061 0.000 2.916 19 E HA 0.423 4.773 4.350 -0.000 0.000 0.217 19 E C -2.523 174.137 176.600 0.100 0.000 1.100 19 E CA -1.502 54.942 56.400 0.074 0.000 0.891 19 E CB 1.526 31.263 29.700 0.062 0.000 1.311 19 E HN 0.310 nan 8.360 nan 0.000 0.421 20 P HA -0.005 nan 4.420 nan 0.000 0.269 20 P C -0.971 176.443 177.300 0.190 0.000 1.215 20 P CA -0.064 63.113 63.100 0.129 0.000 0.780 20 P CB 0.380 32.136 31.700 0.094 0.000 0.898 21 F N 3.223 123.188 119.950 0.024 0.000 2.686 21 F HA 0.386 4.913 4.527 -0.000 0.000 0.365 21 F C -2.426 173.387 175.800 0.022 0.000 1.196 21 F CA -2.743 55.266 58.000 0.014 0.000 1.198 21 F CB 0.429 39.427 39.000 -0.005 0.000 1.454 21 F HN 0.175 nan 8.300 nan 0.000 0.539 22 P HA 0.090 nan 4.420 nan 0.000 0.267 22 P C -1.963 175.252 177.300 -0.141 0.000 1.200 22 P CA -0.876 62.178 63.100 -0.075 0.000 0.772 22 P CB 0.344 32.011 31.700 -0.054 0.000 0.855 23 P HA -0.029 nan 4.420 nan 0.000 0.220 23 P C 0.339 177.710 177.300 0.118 0.000 1.148 23 P CA 1.424 64.546 63.100 0.036 0.000 0.803 23 P CB 0.602 32.304 31.700 0.003 0.000 0.782 24 I N -1.493 119.069 120.570 -0.012 0.000 2.775 24 I HA 0.270 4.440 4.170 -0.000 0.000 0.295 24 I C -1.427 174.445 176.117 -0.410 0.000 1.287 24 I CA -1.009 60.206 61.300 -0.142 0.000 1.029 24 I CB 3.014 40.865 38.000 -0.249 0.000 1.282 24 I HN -0.323 nan 8.210 nan 0.000 0.426 25 E N 6.084 126.073 120.200 -0.352 0.000 2.174 25 E HA 0.347 4.697 4.350 -0.000 0.000 0.282 25 E C -1.668 174.728 176.600 -0.340 0.000 0.992 25 E CA -0.472 55.758 56.400 -0.284 0.000 0.803 25 E CB 1.359 30.976 29.700 -0.139 0.000 1.090 25 E HN 0.256 nan 8.360 nan 0.000 0.396 26 F N 4.363 124.352 119.950 0.066 0.000 2.385 26 F HA 0.245 4.772 4.527 -0.000 0.000 0.360 26 F C -1.663 174.141 175.800 0.007 0.000 1.122 26 F CA -2.935 55.074 58.000 0.015 0.000 1.090 26 F CB 0.767 39.761 39.000 -0.010 0.000 1.150 26 F HN 0.235 nan 8.300 nan 0.000 0.472 27 P HA 0.046 nan 4.420 nan 0.000 0.265 27 P C -0.772 176.558 177.300 0.050 0.000 1.222 27 P CA -0.097 63.044 63.100 0.067 0.000 0.767 27 P CB 1.238 32.961 31.700 0.039 0.000 0.801 28 L N 4.429 125.674 121.223 0.037 0.000 2.257 28 L HA 0.132 4.472 4.340 -0.000 0.000 0.290 28 L C 1.573 178.436 176.870 -0.012 0.000 1.044 28 L CA -0.089 54.763 54.840 0.020 0.000 0.810 28 L CB 0.431 42.512 42.059 0.037 0.000 1.193 28 L HN 0.263 nan 8.230 nan 0.000 0.425 29 E N 2.469 122.656 120.200 -0.021 0.000 2.160 29 E HA -0.257 4.093 4.350 -0.000 0.000 0.237 29 E C 0.303 176.888 176.600 -0.024 0.000 1.069 29 E CA 1.775 58.160 56.400 -0.026 0.000 0.950 29 E CB -0.226 29.454 29.700 -0.034 0.000 0.832 29 E HN 0.663 nan 8.360 nan 0.000 0.496 30 Q N -0.363 119.422 119.800 -0.026 0.000 2.448 30 Q HA 0.364 4.704 4.340 -0.000 0.000 0.192 30 Q C 0.284 176.266 176.000 -0.031 0.000 1.001 30 Q CA -0.379 55.410 55.803 -0.023 0.000 1.018 30 Q CB 0.685 29.412 28.738 -0.019 0.000 1.290 30 Q HN -0.035 nan 8.270 nan 0.000 0.517 31 K N 0.292 120.682 120.400 -0.016 0.000 3.147 31 K HA 0.350 4.669 4.320 -0.000 0.000 0.190 31 K C -0.872 175.782 176.600 0.091 0.000 1.094 31 K CA -0.003 56.269 56.287 -0.024 0.000 1.024 31 K CB -0.290 32.167 32.500 -0.073 0.000 0.700 31 K HN 0.451 nan 8.250 nan 0.000 0.424 32 I N 1.105 121.718 120.570 0.071 0.000 2.648 32 I HA 0.022 4.192 4.170 -0.000 0.000 0.284 32 I C 0.769 176.958 176.117 0.119 0.000 1.153 32 I CA -0.081 61.261 61.300 0.071 0.000 1.426 32 I CB 1.166 39.174 38.000 0.014 0.000 1.381 32 I HN 0.198 nan 8.210 nan 0.000 0.571 33 S N 4.250 119.997 115.700 0.078 0.000 2.603 33 S HA 0.217 4.687 4.470 -0.000 0.000 0.268 33 S C -0.069 174.526 174.600 -0.008 0.000 1.317 33 S CA -0.505 57.699 58.200 0.007 0.000 1.012 33 S CB 1.117 64.296 63.200 -0.036 0.000 0.926 33 S HN 0.665 nan 8.310 nan 0.000 0.539 34 S N 1.543 117.227 115.700 -0.026 0.000 2.608 34 S HA 0.332 4.802 4.470 -0.000 0.000 0.291 34 S C 0.941 175.559 174.600 0.031 0.000 1.146 34 S CA -0.806 57.416 58.200 0.037 0.000 1.043 34 S CB 0.484 63.772 63.200 0.147 0.000 1.037 34 S HN 0.861 nan 8.310 nan 0.000 0.520 35 N N 3.046 121.782 118.700 0.060 0.000 2.336 35 N HA 0.064 4.804 4.740 -0.000 0.000 0.189 35 N C -0.303 175.231 175.510 0.040 0.000 1.113 35 N CA -0.055 53.017 53.050 0.037 0.000 0.858 35 N CB 0.041 38.549 38.487 0.035 0.000 0.970 35 N HN 0.432 nan 8.380 nan 0.000 0.471 36 K N 0.931 121.373 120.400 0.070 0.000 2.110 36 K HA 0.284 4.604 4.320 -0.000 0.000 0.263 36 K C -0.027 176.554 176.600 -0.031 0.000 0.975 36 K CA -0.546 55.747 56.287 0.010 0.000 0.895 36 K CB 1.506 33.980 32.500 -0.044 0.000 1.060 36 K HN 0.201 nan 8.250 nan 0.000 0.448 37 S N 1.631 117.302 115.700 -0.047 0.000 2.664 37 S HA 0.309 4.779 4.470 -0.000 0.000 0.304 37 S C 1.270 175.839 174.600 -0.051 0.000 1.099 37 S CA -0.902 57.272 58.200 -0.044 0.000 1.003 37 S CB 0.804 63.987 63.200 -0.028 0.000 1.092 37 S HN 0.581 nan 8.310 nan 0.000 0.525 38 L N 1.135 122.341 121.223 -0.029 0.000 2.043 38 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 38 L C 2.867 179.736 176.870 -0.000 0.000 1.075 38 L CA 1.615 56.455 54.840 -0.001 0.000 0.752 38 L CB -0.953 41.126 42.059 0.032 0.000 0.891 38 L HN 0.783 nan 8.230 nan 0.000 0.432 39 S N -0.276 115.420 115.700 -0.005 0.000 2.365 39 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 39 S C 1.816 176.409 174.600 -0.012 0.000 1.039 39 S CA 1.693 59.890 58.200 -0.004 0.000 1.033 39 S CB -0.292 62.905 63.200 -0.006 0.000 0.887 39 S HN 0.496 nan 8.310 nan 0.000 0.447 40 E N 0.241 120.424 120.200 -0.029 0.000 2.153 40 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 40 E C 1.473 178.036 176.600 -0.061 0.000 0.988 40 E CA 0.595 56.970 56.400 -0.041 0.000 0.811 40 E CB -0.108 29.561 29.700 -0.051 0.000 0.746 40 E HN 0.208 nan 8.360 nan 0.000 0.466 41 L N -0.342 120.835 121.223 -0.077 0.000 2.554 41 L HA 0.129 4.469 4.340 -0.000 0.000 0.226 41 L C 1.250 178.136 176.870 0.027 0.000 1.137 41 L CA 1.145 55.936 54.840 -0.081 0.000 0.863 41 L CB -0.336 41.652 42.059 -0.119 0.000 0.985 41 L HN 0.240 nan 8.230 nan 0.000 0.451 42 G N -0.211 108.605 108.800 0.026 0.000 2.176 42 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 42 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 42 G C 0.132 175.069 174.900 0.062 0.000 1.024 42 G CA 0.519 45.646 45.100 0.044 0.000 0.755 42 G HN 0.302 nan 8.290 nan 0.000 0.507 43 L N -0.512 120.756 121.223 0.074 0.000 2.333 43 L HA 0.800 5.140 4.340 -0.000 0.000 0.269 43 L C 0.181 177.092 176.870 0.067 0.000 1.010 43 L CA -0.937 53.959 54.840 0.094 0.000 0.818 43 L CB 2.428 44.599 42.059 0.187 0.000 1.306 43 L HN 0.094 nan 8.230 nan 0.000 0.430 44 T N 2.610 117.195 114.554 0.052 0.000 2.861 44 T HA 0.690 5.040 4.350 -0.000 0.000 0.287 44 T C -0.569 174.154 174.700 0.039 0.000 1.003 44 T CA -0.321 61.800 62.100 0.034 0.000 0.977 44 T CB 1.665 70.538 68.868 0.009 0.000 0.996 44 T HN 0.275 nan 8.240 nan 0.000 0.448 45 I N 2.387 122.984 120.570 0.045 0.000 2.582 45 I HA 0.640 4.810 4.170 -0.000 0.000 0.292 45 I C -0.991 175.141 176.117 0.025 0.000 1.066 45 I CA -1.112 60.217 61.300 0.048 0.000 1.053 45 I CB 2.321 40.384 38.000 0.106 0.000 1.241 45 I HN 0.254 nan 8.210 nan 0.000 0.421 46 V N 5.099 125.018 119.914 0.009 0.000 2.709 46 V HA 0.388 4.508 4.120 -0.000 0.000 0.308 46 V C -0.728 175.365 176.094 -0.002 0.000 1.062 46 V CA -0.610 61.689 62.300 -0.001 0.000 0.901 46 V CB 2.186 33.999 31.823 -0.017 0.000 1.003 46 V HN 0.680 nan 8.190 nan 0.000 0.425 47 Q N 3.339 123.139 119.800 0.001 0.000 2.333 47 Q HA 0.599 4.939 4.340 -0.000 0.000 0.268 47 Q C -0.726 175.269 176.000 -0.008 0.000 1.007 47 Q CA -0.381 55.422 55.803 0.001 0.000 0.810 47 Q CB 2.684 31.429 28.738 0.011 0.000 1.264 47 Q HN 0.737 nan 8.270 nan 0.000 0.452 48 Q N 0.255 120.046 119.800 -0.016 0.000 3.331 48 Q HA 0.431 4.771 4.340 -0.000 0.000 0.279 48 Q C 0.173 176.161 176.000 -0.020 0.000 1.025 48 Q CA -0.974 54.817 55.803 -0.020 0.000 0.743 48 Q CB 0.436 29.158 28.738 -0.027 0.000 2.725 48 Q HN 0.746 nan 8.270 nan 0.000 0.380 49 G N 2.129 110.914 108.800 -0.025 0.000 2.635 49 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.289 49 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.289 49 G C -0.042 174.842 174.900 -0.027 0.000 0.705 49 G CA 0.134 45.219 45.100 -0.026 0.000 2.034 49 G HN 0.560 nan 8.290 nan 0.000 0.519 50 N N -0.044 118.643 118.700 -0.022 0.000 2.725 50 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 50 N C 0.045 175.541 175.510 -0.024 0.000 1.103 50 N CA 1.505 54.543 53.050 -0.021 0.000 0.707 50 N CB -0.569 37.903 38.487 -0.025 0.000 1.043 50 N HN 0.637 nan 8.380 nan 0.000 0.553 51 K N -0.281 120.103 120.400 -0.026 0.000 2.477 51 K HA 0.631 4.950 4.320 -0.000 0.000 0.255 51 K C -0.668 175.914 176.600 -0.030 0.000 0.952 51 K CA -0.684 55.582 56.287 -0.036 0.000 0.826 51 K CB 2.752 35.220 32.500 -0.053 0.000 1.331 51 K HN -0.168 nan 8.250 nan 0.000 0.437 52 V N 3.454 123.346 119.914 -0.037 0.000 2.487 52 V HA 0.466 4.586 4.120 -0.000 0.000 0.298 52 V C -0.561 175.486 176.094 -0.077 0.000 1.028 52 V CA -0.760 61.524 62.300 -0.027 0.000 0.860 52 V CB 1.463 33.297 31.823 0.017 0.000 0.991 52 V HN 0.602 nan 8.190 nan 0.000 0.427 53 I N 5.105 125.631 120.570 -0.073 0.000 2.362 53 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 53 I C -0.680 175.376 176.117 -0.101 0.000 0.994 53 I CA -0.795 60.436 61.300 -0.114 0.000 1.158 53 I CB 1.986 39.930 38.000 -0.094 0.000 1.315 53 I HN 0.255 nan 8.210 nan 0.000 0.451 54 V N 6.176 125.993 119.914 -0.161 0.000 2.409 54 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 54 V C -0.120 175.907 176.094 -0.112 0.000 1.020 54 V CA -0.591 61.635 62.300 -0.123 0.000 0.848 54 V CB 1.608 33.319 31.823 -0.187 0.000 0.990 54 V HN 0.700 nan 8.190 nan 0.000 0.430 55 E N 3.553 123.719 120.200 -0.057 0.000 2.207 55 E HA 0.670 5.020 4.350 -0.000 0.000 0.270 55 E C -0.796 175.788 176.600 -0.028 0.000 0.927 55 E CA -0.854 55.513 56.400 -0.055 0.000 0.799 55 E CB 2.803 32.475 29.700 -0.048 0.000 1.172 55 E HN 0.523 nan 8.360 nan 0.000 0.404 56 K N 0.945 121.318 120.400 -0.044 0.000 2.527 56 K HA 0.299 4.619 4.320 -0.000 0.000 0.260 56 K C -0.813 175.759 176.600 -0.047 0.000 0.937 56 K CA -0.589 55.675 56.287 -0.038 0.000 0.826 56 K CB 1.798 34.254 32.500 -0.073 0.000 1.359 56 K HN 0.630 nan 8.250 nan 0.000 0.434 57 S N 2.189 117.870 115.700 -0.031 0.000 2.614 57 S HA 0.477 4.947 4.470 -0.000 0.000 0.265 57 S C -0.488 174.078 174.600 -0.057 0.000 1.303 57 S CA -0.740 57.436 58.200 -0.039 0.000 1.000 57 S CB 0.965 64.151 63.200 -0.023 0.000 0.935 57 S HN 0.457 nan 8.310 nan 0.000 0.551 58 L N 1.679 122.856 121.223 -0.077 0.000 2.441 58 L HA 0.537 4.877 4.340 -0.000 0.000 0.270 58 L C -1.465 175.337 176.870 -0.114 0.000 0.973 58 L CA -0.283 54.490 54.840 -0.112 0.000 0.842 58 L CB 1.670 43.631 42.059 -0.164 0.000 1.239 58 L HN 0.726 nan 8.230 nan 0.000 0.406 59 D N 4.092 124.427 120.400 -0.109 0.000 2.312 59 D HA 0.242 4.882 4.640 -0.000 0.000 0.248 59 D C 1.409 177.627 176.300 -0.137 0.000 1.086 59 D CA -0.336 53.605 54.000 -0.098 0.000 0.948 59 D CB 1.706 42.457 40.800 -0.083 0.000 1.162 59 D HN 0.530 nan 8.370 nan 0.000 0.446 60 L N 0.608 121.775 121.223 -0.092 0.000 2.043 60 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 60 L C 2.004 178.785 176.870 -0.148 0.000 1.075 60 L CA 1.270 56.058 54.840 -0.087 0.000 0.752 60 L CB -0.231 41.822 42.059 -0.011 0.000 0.891 60 L HN 0.177 nan 8.230 nan 0.000 0.432 61 K N 0.105 120.401 120.400 -0.173 0.000 2.444 61 K HA 0.056 4.375 4.320 -0.000 0.000 0.193 61 K C 0.373 176.653 176.600 -0.533 0.000 1.024 61 K CA 0.022 56.145 56.287 -0.273 0.000 1.077 61 K CB 0.022 32.419 32.500 -0.172 0.000 0.833 61 K HN 0.353 nan 8.250 nan 0.000 0.517 62 E N 1.466 121.419 120.200 -0.412 0.000 2.360 62 E HA -0.017 4.333 4.350 -0.000 0.000 0.269 62 E C -0.681 175.580 176.600 -0.564 0.000 1.022 62 E CA -0.091 56.049 56.400 -0.432 0.000 0.887 62 E CB 0.499 30.069 29.700 -0.218 0.000 0.990 62 E HN 0.119 nan 8.360 nan 0.000 0.426 63 H N 4.223 123.130 119.070 -0.273 0.000 2.472 63 H HA 0.358 4.914 4.556 -0.000 0.000 0.338 63 H C -0.256 174.963 175.328 -0.181 0.000 1.133 63 H CA -0.651 55.190 56.048 -0.346 0.000 1.216 63 H CB 1.013 30.310 29.762 -0.776 0.000 1.497 63 H HN 0.368 nan 8.280 nan 0.000 0.500 64 I N 4.965 125.518 120.570 -0.028 0.000 2.418 64 I HA 0.297 4.466 4.170 -0.000 0.000 0.287 64 I C 0.528 176.632 176.117 -0.022 0.000 1.008 64 I CA -0.488 60.802 61.300 -0.016 0.000 1.104 64 I CB 1.303 39.216 38.000 -0.145 0.000 1.264 64 I HN 0.529 nan 8.210 nan 0.000 0.438 65 I N 2.019 122.611 120.570 0.037 0.000 3.145 65 I HA 1.032 5.201 4.170 -0.000 0.000 0.313 65 I C 0.356 176.497 176.117 0.041 0.000 1.122 65 I CA -0.543 60.770 61.300 0.021 0.000 0.987 65 I CB 2.444 40.452 38.000 0.013 0.000 1.236 65 I HN 0.688 nan 8.210 nan 0.000 0.453 66 G N 2.341 111.145 108.800 0.007 0.000 2.443 66 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.209 66 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.209 66 G C 0.093 174.889 174.900 -0.174 0.000 1.176 66 G CA -0.311 44.753 45.100 -0.059 0.000 1.074 66 G HN 1.431 nan 8.290 nan 0.000 0.577 67 L N 0.075 121.157 121.223 -0.235 0.000 4.759 67 L HA -0.154 4.186 4.340 -0.000 0.000 0.419 67 L C 2.119 178.864 176.870 -0.209 0.000 1.093 67 L CA 1.656 56.291 54.840 -0.341 0.000 1.037 67 L CB -1.760 39.950 42.059 -0.582 0.000 2.095 67 L HN 2.980 nan 8.230 nan 0.000 0.739 68 G N 0.388 109.097 108.800 -0.152 0.000 2.556 68 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.283 68 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.283 68 G C -0.024 174.835 174.900 -0.067 0.000 1.177 68 G CA 0.628 45.666 45.100 -0.103 0.000 0.978 68 G HN 0.491 nan 8.290 nan 0.000 0.554 69 E N 1.577 121.751 120.200 -0.043 0.000 1.858 69 E HA 0.347 4.697 4.350 -0.000 0.000 0.267 69 E C -0.352 176.254 176.600 0.010 0.000 1.215 69 E CA -0.077 56.309 56.400 -0.024 0.000 0.952 69 E CB -0.092 29.592 29.700 -0.027 0.000 1.058 69 E HN 0.229 nan 8.360 nan 0.000 0.407 70 K N 1.708 122.144 120.400 0.060 0.000 2.345 70 K HA 0.329 4.649 4.320 -0.000 0.000 0.255 70 K C -0.550 176.213 176.600 0.271 0.000 0.934 70 K CA -0.751 55.662 56.287 0.210 0.000 0.801 70 K CB 1.985 34.618 32.500 0.222 0.000 1.137 70 K HN 0.334 nan 8.250 nan 0.000 0.424 71 A N 3.849 126.845 122.820 0.294 0.000 3.033 71 A HA 0.380 4.700 4.320 -0.000 0.000 0.250 71 A C -0.692 176.818 177.584 -0.125 0.000 1.633 71 A CA 0.151 52.218 52.037 0.050 0.000 1.290 71 A CB -0.893 18.064 19.000 -0.072 0.000 1.048 71 A HN 0.490 nan 8.150 nan 0.000 0.648 72 F N -1.595 118.485 119.950 0.216 0.000 2.692 72 F HA 0.478 5.005 4.527 -0.000 0.000 0.320 72 F C 0.170 176.109 175.800 0.232 0.000 1.123 72 F CA -1.198 56.991 58.000 0.315 0.000 0.961 72 F CB 0.940 40.165 39.000 0.374 0.000 1.383 72 F HN 0.060 nan 8.300 nan 0.000 0.483 73 E N 0.670 121.150 120.200 0.466 0.000 2.437 73 E HA 0.063 4.413 4.350 -0.000 0.000 0.263 73 E C 0.726 177.490 176.600 0.272 0.000 1.030 73 E CA 0.020 56.607 56.400 0.312 0.000 0.934 73 E CB 0.195 30.065 29.700 0.283 0.000 0.943 73 E HN 0.375 nan 8.360 nan 0.000 0.444 74 L N 1.241 122.608 121.223 0.241 0.000 2.079 74 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 74 L C 0.725 177.697 176.870 0.170 0.000 1.081 74 L CA 1.589 56.576 54.840 0.246 0.000 0.752 74 L CB -0.625 41.670 42.059 0.394 0.000 0.896 74 L HN 0.563 nan 8.230 nan 0.000 0.433 75 D N -0.101 120.394 120.400 0.157 0.000 2.339 75 D HA 0.011 4.651 4.640 -0.000 0.000 0.241 75 D C 0.811 177.165 176.300 0.090 0.000 1.183 75 D CA -0.217 53.837 54.000 0.090 0.000 0.859 75 D CB 0.832 41.702 40.800 0.117 0.000 1.067 75 D HN -0.016 nan 8.370 nan 0.000 0.484 76 R N 2.963 123.478 120.500 0.024 0.000 2.323 76 R HA 0.034 4.374 4.340 -0.000 0.000 0.198 76 R C 0.459 176.806 176.300 0.078 0.000 0.988 76 R CA 0.068 56.193 56.100 0.041 0.000 1.041 76 R CB -0.341 29.832 30.300 -0.213 0.000 0.926 76 R HN 0.367 nan 8.270 nan 0.000 0.476 77 K N 1.560 121.959 120.400 -0.001 0.000 2.440 77 K HA 0.019 4.338 4.320 -0.000 0.000 0.270 77 K C 0.355 176.923 176.600 -0.052 0.000 0.980 77 K CA -0.097 56.154 56.287 -0.060 0.000 0.953 77 K CB 0.401 32.832 32.500 -0.114 0.000 0.925 77 K HN -0.115 nan 8.250 nan 0.000 0.497 78 R N -0.156 120.280 120.500 -0.107 0.000 3.418 78 R HA -0.149 4.191 4.340 -0.000 0.000 0.274 78 R C -0.902 175.302 176.300 -0.159 0.000 1.108 78 R CA 0.542 56.579 56.100 -0.106 0.000 0.741 78 R CB -2.099 28.168 30.300 -0.056 0.000 1.223 78 R HN 0.660 nan 8.270 nan 0.000 0.434 79 K N 0.183 120.439 120.400 -0.241 0.000 2.562 79 K HA 0.401 4.721 4.320 -0.000 0.000 0.267 79 K C -1.176 175.092 176.600 -0.553 0.000 0.938 79 K CA -0.804 55.176 56.287 -0.511 0.000 0.840 79 K CB 1.477 33.413 32.500 -0.940 0.000 1.390 79 K HN 0.204 nan 8.250 nan 0.000 0.428 80 R N 3.932 124.105 120.500 -0.544 0.000 2.239 80 R HA 0.328 4.668 4.340 -0.000 0.000 0.332 80 R C -1.083 174.963 176.300 -0.424 0.000 0.988 80 R CA -0.351 55.547 56.100 -0.337 0.000 0.859 80 R CB 0.201 30.377 30.300 -0.207 0.000 1.148 80 R HN 0.563 nan 8.270 nan 0.000 0.482 81 Y N 2.364 122.595 120.300 -0.114 0.000 2.310 81 Y HA 0.348 4.897 4.550 -0.000 0.000 0.326 81 Y C 0.239 176.155 175.900 0.027 0.000 1.151 81 Y CA -0.681 57.372 58.100 -0.079 0.000 1.195 81 Y CB 1.755 40.157 38.460 -0.097 0.000 1.210 81 Y HN 0.145 nan 8.280 nan 0.000 0.483 82 V N 4.794 124.817 119.914 0.181 0.000 2.459 82 V HA 0.324 4.444 4.120 -0.000 0.000 0.295 82 V C -0.303 175.918 176.094 0.213 0.000 1.029 82 V CA -0.976 61.415 62.300 0.151 0.000 0.874 82 V CB 1.529 33.397 31.823 0.074 0.000 0.985 82 V HN 0.646 nan 8.190 nan 0.000 0.438 83 M N 5.819 125.570 119.600 0.251 0.000 2.152 83 M HA 0.437 4.917 4.480 -0.000 0.000 0.354 83 M C -1.239 175.263 176.300 0.337 0.000 1.173 83 M CA -0.281 55.187 55.300 0.281 0.000 1.110 83 M CB -0.129 32.683 32.600 0.353 0.000 1.366 83 M HN 0.694 nan 8.290 nan 0.000 0.415 84 Y N 2.578 122.927 120.300 0.081 0.000 2.287 84 Y HA 0.316 4.866 4.550 -0.000 0.000 0.325 84 Y C -0.565 175.349 175.900 0.024 0.000 1.139 84 Y CA -1.319 56.808 58.100 0.045 0.000 1.167 84 Y CB 0.910 39.386 38.460 0.026 0.000 1.158 84 Y HN 0.563 nan 8.280 nan 0.000 0.434 85 N N 3.126 121.739 118.700 -0.145 0.000 2.294 85 N HA 0.218 4.958 4.740 -0.000 0.000 0.263 85 N C -0.797 174.612 175.510 -0.169 0.000 1.281 85 N CA 0.465 53.438 53.050 -0.128 0.000 0.846 85 N CB 1.115 39.517 38.487 -0.142 0.000 1.061 85 N HN 0.393 nan 8.380 nan 0.000 0.478 86 V N 1.688 121.539 119.914 -0.104 0.000 3.012 86 V HA 0.154 4.274 4.120 -0.000 0.000 0.307 86 V C -1.170 174.851 176.094 -0.123 0.000 1.166 86 V CA -1.031 61.211 62.300 -0.097 0.000 0.974 86 V CB 2.376 34.179 31.823 -0.035 0.000 1.040 86 V HN 0.641 nan 8.190 nan 0.000 0.428 87 D N 4.698 125.072 120.400 -0.043 0.000 2.348 87 D HA 0.241 4.881 4.640 -0.000 0.000 0.259 87 D C 0.879 177.166 176.300 -0.021 0.000 1.296 87 D CA 0.554 54.595 54.000 0.068 0.000 0.931 87 D CB 1.728 42.593 40.800 0.109 0.000 1.067 87 D HN 0.757 nan 8.370 nan 0.000 0.503 88 A N 3.516 126.163 122.820 -0.289 0.000 2.168 88 A HA 0.297 4.617 4.320 -0.000 0.000 0.215 88 A C 1.486 179.136 177.584 0.111 0.000 1.152 88 A CA 1.001 52.933 52.037 -0.176 0.000 0.716 88 A CB -0.561 18.171 19.000 -0.447 0.000 0.794 88 A HN 0.890 nan 8.150 nan 0.000 0.465 89 G N -0.812 108.130 108.800 0.236 0.000 2.566 89 G HA2 0.058 4.018 3.960 -0.000 0.000 0.280 89 G HA3 0.058 4.018 3.960 -0.000 0.000 0.280 89 G C 0.590 175.673 174.900 0.305 0.000 1.225 89 G CA 0.222 45.493 45.100 0.285 0.000 0.966 89 G HN 1.710 nan 8.290 nan 0.000 0.560 90 A N 0.714 123.657 122.820 0.206 0.000 3.037 90 A HA 0.613 4.933 4.320 -0.000 0.000 0.272 90 A C 0.377 177.984 177.584 0.039 0.000 1.723 90 A CA 0.587 52.700 52.037 0.128 0.000 1.413 90 A CB -1.299 17.750 19.000 0.082 0.000 1.112 90 A HN 1.838 nan 8.150 nan 0.000 0.606 91 Y N -0.354 120.013 120.300 0.111 0.000 2.550 91 Y HA 0.462 5.012 4.550 -0.000 0.000 0.343 91 Y C 0.208 176.141 175.900 0.054 0.000 1.245 91 Y CA -0.337 57.794 58.100 0.052 0.000 1.462 91 Y CB 0.478 38.948 38.460 0.018 0.000 1.340 91 Y HN 0.411 nan 8.280 nan 0.000 0.604 92 K N 1.917 122.435 120.400 0.195 0.000 2.346 92 K HA 0.362 4.681 4.320 -0.000 0.000 0.238 92 K C -1.005 175.637 176.600 0.069 0.000 1.039 92 K CA -1.469 54.870 56.287 0.087 0.000 0.861 92 K CB 1.695 34.212 32.500 0.029 0.000 1.278 92 K HN 0.743 nan 8.250 nan 0.000 0.460 93 K N 0.302 120.648 120.400 -0.090 0.000 2.319 93 K HA 0.029 4.349 4.320 -0.000 0.000 0.265 93 K C -0.765 175.593 176.600 -0.403 0.000 1.000 93 K CA -0.093 55.990 56.287 -0.340 0.000 0.943 93 K CB 0.169 32.310 32.500 -0.598 0.000 0.950 93 K HN 0.583 nan 8.250 nan 0.000 0.485 94 Y N -2.539 117.451 120.300 -0.517 0.000 4.841 94 Y HA -0.277 4.273 4.550 -0.000 0.000 0.242 94 Y C -0.029 175.730 175.900 -0.235 0.000 1.002 94 Y CA 1.098 58.706 58.100 -0.820 0.000 2.011 94 Y CB -2.466 35.753 38.460 -0.402 0.000 1.554 94 Y HN 0.832 nan 8.280 nan 0.000 0.618 95 Q N 1.190 121.005 119.800 0.026 0.000 2.261 95 Q HA 0.484 4.824 4.340 -0.000 0.000 0.252 95 Q C -0.666 175.463 176.000 0.216 0.000 0.915 95 Q CA -0.293 55.590 55.803 0.133 0.000 0.915 95 Q CB 1.315 30.118 28.738 0.109 0.000 1.204 95 Q HN 0.291 nan 8.270 nan 0.000 0.421 96 D N 3.263 123.794 120.400 0.218 0.000 2.837 96 D HA 0.441 5.081 4.640 -0.000 0.000 0.220 96 D C -2.572 173.799 176.300 0.118 0.000 1.236 96 D CA -1.145 52.983 54.000 0.213 0.000 0.838 96 D CB 1.695 42.676 40.800 0.302 0.000 1.647 96 D HN 0.365 nan 8.370 nan 0.000 0.486 97 P HA 0.478 nan 4.420 nan 0.000 0.284 97 P C -0.621 176.661 177.300 -0.030 0.000 1.292 97 P CA -0.603 62.545 63.100 0.081 0.000 0.800 97 P CB 1.484 33.251 31.700 0.112 0.000 1.188 98 L N -1.743 119.426 121.223 -0.091 0.000 2.670 98 L HA 0.322 4.662 4.340 -0.000 0.000 0.251 98 L C 2.034 178.734 176.870 -0.283 0.000 1.548 98 L CA -0.741 53.908 54.840 -0.319 0.000 1.643 98 L CB -0.299 41.559 42.059 -0.336 0.000 2.174 98 L HN 0.252 nan 8.230 nan 0.000 0.585 99 Y N -0.529 119.695 120.300 -0.127 0.000 2.314 99 Y HA 0.057 4.606 4.550 -0.000 0.000 0.293 99 Y C 0.700 176.545 175.900 -0.091 0.000 1.129 99 Y CA 0.159 58.183 58.100 -0.126 0.000 1.201 99 Y CB -0.266 38.078 38.460 -0.193 0.000 0.999 99 Y HN -0.033 nan 8.280 nan 0.000 0.541 100 V N -0.289 119.677 119.914 0.086 0.000 2.581 100 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 100 V C -0.284 175.853 176.094 0.072 0.000 1.041 100 V CA -0.976 61.362 62.300 0.063 0.000 0.907 100 V CB 1.860 33.700 31.823 0.029 0.000 0.994 100 V HN -0.047 nan 8.190 nan 0.000 0.442 101 S N 5.240 121.015 115.700 0.125 0.000 2.718 101 S HA 0.556 5.026 4.470 -0.000 0.000 0.294 101 S C -0.595 174.119 174.600 0.190 0.000 1.157 101 S CA -0.363 57.943 58.200 0.178 0.000 1.121 101 S CB 0.445 63.800 63.200 0.258 0.000 1.015 101 S HN 0.460 nan 8.310 nan 0.000 0.479 102 I N 4.471 125.084 120.570 0.072 0.000 2.388 102 I HA 0.321 4.491 4.170 -0.000 0.000 0.281 102 I C -2.505 173.647 176.117 0.057 0.000 1.046 102 I CA -2.754 58.546 61.300 -0.000 0.000 1.187 102 I CB 0.777 38.715 38.000 -0.103 0.000 1.351 102 I HN 0.199 nan 8.210 nan 0.000 0.472 103 P HA 0.136 nan 4.420 nan 0.000 0.238 103 P C -0.401 177.224 177.300 0.542 0.000 1.714 103 P CA 0.054 63.434 63.100 0.466 0.000 0.908 103 P CB -0.108 32.017 31.700 0.709 0.000 1.893 104 L N 1.649 122.974 121.223 0.170 0.000 2.385 104 L HA 0.767 5.107 4.340 -0.000 0.000 0.273 104 L C -1.184 175.706 176.870 0.032 0.000 0.990 104 L CA -1.185 53.720 54.840 0.109 0.000 0.821 104 L CB 1.085 42.969 42.059 -0.291 0.000 1.279 104 L HN -0.031 nan 8.230 nan 0.000 0.412 105 F N 3.926 123.905 119.950 0.049 0.000 2.588 105 F HA 0.821 5.347 4.527 -0.000 0.000 0.310 105 F C -1.547 174.332 175.800 0.131 0.000 1.082 105 F CA -1.277 56.719 58.000 -0.007 0.000 0.929 105 F CB 1.104 40.060 39.000 -0.073 0.000 1.254 105 F HN 0.310 nan 8.300 nan 0.000 0.455 106 I N 2.648 123.400 120.570 0.303 0.000 2.433 106 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 106 I C -0.381 175.940 176.117 0.339 0.000 1.001 106 I CA -0.866 60.566 61.300 0.219 0.000 1.119 106 I CB 2.055 40.119 38.000 0.106 0.000 1.289 106 I HN 0.793 nan 8.210 nan 0.000 0.438 107 S N 5.518 121.429 115.700 0.352 0.000 2.489 107 S HA 0.640 5.110 4.470 -0.000 0.000 0.291 107 S C -0.763 173.939 174.600 0.170 0.000 1.151 107 S CA -0.473 57.904 58.200 0.295 0.000 1.082 107 S CB 1.133 64.566 63.200 0.387 0.000 1.019 107 S HN 0.339 nan 8.310 nan 0.000 0.492 108 V N 5.854 125.829 119.914 0.102 0.000 2.349 108 V HA 0.508 4.628 4.120 -0.000 0.000 0.284 108 V C -0.174 175.926 176.094 0.009 0.000 1.014 108 V CA -0.694 61.658 62.300 0.086 0.000 0.826 108 V CB 1.079 32.988 31.823 0.144 0.000 1.009 108 V HN 0.872 nan 8.190 nan 0.000 0.431 109 K N 3.231 123.642 120.400 0.018 0.000 2.345 109 K HA 0.423 4.742 4.320 -0.000 0.000 0.255 109 K C -0.324 176.277 176.600 0.003 0.000 0.934 109 K CA -0.496 55.776 56.287 -0.025 0.000 0.801 109 K CB 1.168 33.663 32.500 -0.009 0.000 1.137 109 K HN 0.666 nan 8.250 nan 0.000 0.424 110 D N 3.293 123.687 120.400 -0.010 0.000 2.751 110 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 110 D C 0.634 176.960 176.300 0.042 0.000 1.149 110 D CA 1.686 55.695 54.000 0.015 0.000 0.682 110 D CB -1.117 39.691 40.800 0.013 0.000 1.068 110 D HN 1.098 nan 8.370 nan 0.000 0.429 111 G N -2.025 106.815 108.800 0.066 0.000 2.184 111 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.264 111 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.264 111 G C 0.393 175.339 174.900 0.077 0.000 0.975 111 G CA 0.419 45.575 45.100 0.095 0.000 0.642 111 G HN 0.592 nan 8.290 nan 0.000 0.536 112 V N 1.072 121.021 119.914 0.058 0.000 2.427 112 V HA 0.776 4.896 4.120 -0.000 0.000 0.286 112 V C 0.672 176.800 176.094 0.056 0.000 1.034 112 V CA -0.226 62.102 62.300 0.047 0.000 0.893 112 V CB 1.510 33.354 31.823 0.036 0.000 0.982 112 V HN 1.036 nan 8.190 nan 0.000 0.452 113 A N 3.833 126.680 122.820 0.045 0.000 2.306 113 A HA 0.861 5.181 4.320 -0.000 0.000 0.314 113 A C 0.026 177.625 177.584 0.025 0.000 1.164 113 A CA -0.370 51.698 52.037 0.051 0.000 0.822 113 A CB 0.932 19.954 19.000 0.037 0.000 1.130 113 A HN 0.777 nan 8.150 nan 0.000 0.496 114 T N 0.981 115.556 114.554 0.034 0.000 2.971 114 T HA 0.620 4.970 4.350 -0.000 0.000 0.304 114 T C 0.093 174.699 174.700 -0.156 0.000 1.038 114 T CA -0.056 62.004 62.100 -0.067 0.000 1.007 114 T CB 1.798 70.646 68.868 -0.034 0.000 1.055 114 T HN 1.093 nan 8.240 nan 0.000 0.451 115 G N 1.084 109.695 108.800 -0.314 0.000 2.410 115 G HA2 0.645 4.605 3.960 -0.000 0.000 0.330 115 G HA3 0.645 4.605 3.960 -0.000 0.000 0.330 115 G C -1.729 172.770 174.900 -0.667 0.000 1.142 115 G CA -0.522 44.383 45.100 -0.326 0.000 0.902 115 G HN 0.627 nan 8.290 nan 0.000 0.491 116 Y N 0.507 120.618 120.300 -0.316 0.000 2.322 116 Y HA 0.401 4.951 4.550 -0.000 0.000 0.324 116 Y C -0.959 174.898 175.900 -0.071 0.000 1.027 116 Y CA -0.979 56.934 58.100 -0.312 0.000 1.179 116 Y CB 2.056 40.109 38.460 -0.678 0.000 1.136 116 Y HN 0.509 nan 8.280 nan 0.000 0.449 117 F N 5.094 125.029 119.950 -0.025 0.000 2.427 117 F HA 0.646 5.173 4.527 -0.000 0.000 0.348 117 F C -1.807 174.101 175.800 0.180 0.000 1.125 117 F CA -2.369 55.721 58.000 0.149 0.000 0.989 117 F CB 0.404 39.495 39.000 0.151 0.000 1.165 117 F HN 0.227 nan 8.300 nan 0.000 0.442 118 F N 4.901 124.936 119.950 0.142 0.000 2.334 118 F HA 0.261 4.788 4.527 -0.000 0.000 0.367 118 F C 0.747 176.427 175.800 -0.200 0.000 1.115 118 F CA -0.799 57.223 58.000 0.037 0.000 1.116 118 F CB 0.513 39.597 39.000 0.140 0.000 1.230 118 F HN 0.447 nan 8.300 nan 0.000 0.484 119 N N 2.556 121.113 118.700 -0.237 0.000 3.103 119 N HA 0.025 4.765 4.740 -0.000 0.000 0.305 119 N C -0.856 174.815 175.510 0.269 0.000 1.232 119 N CA 0.185 53.218 53.050 -0.028 0.000 1.190 119 N CB 0.053 38.610 38.487 0.115 0.000 1.461 119 N HN 0.411 nan 8.380 nan 0.000 0.538 120 S N 0.306 116.225 115.700 0.365 0.000 2.571 120 S HA 0.678 5.148 4.470 -0.000 0.000 0.284 120 S C 0.093 174.871 174.600 0.297 0.000 1.128 120 S CA -0.628 57.736 58.200 0.273 0.000 0.970 120 S CB 1.112 64.436 63.200 0.206 0.000 1.039 120 S HN 0.365 nan 8.310 nan 0.000 0.485 121 A N 3.178 126.038 122.820 0.066 0.000 2.460 121 A HA 0.466 4.786 4.320 -0.000 0.000 0.258 121 A C 0.922 178.520 177.584 0.022 0.000 1.300 121 A CA 0.037 52.006 52.037 -0.114 0.000 0.913 121 A CB -0.601 18.119 19.000 -0.467 0.000 1.031 121 A HN 0.985 nan 8.150 nan 0.000 0.512 122 S N -0.529 115.228 115.700 0.095 0.000 2.671 122 S HA 0.328 4.798 4.470 -0.000 0.000 0.272 122 S C 0.323 175.040 174.600 0.194 0.000 1.174 122 S CA -0.596 57.677 58.200 0.121 0.000 1.004 122 S CB 0.438 63.677 63.200 0.064 0.000 1.077 122 S HN 0.282 nan 8.310 nan 0.000 0.553 123 K N 1.413 121.895 120.400 0.136 0.000 2.081 123 K HA 0.244 4.563 4.320 -0.000 0.000 0.230 123 K C -0.935 175.667 176.600 0.004 0.000 1.199 123 K CA -0.311 56.002 56.287 0.042 0.000 1.130 123 K CB -0.902 31.373 32.500 -0.374 0.000 1.386 123 K HN 0.451 nan 8.250 nan 0.000 0.280 124 V N 5.165 125.124 119.914 0.076 0.000 2.614 124 V HA 0.086 4.206 4.120 -0.000 0.000 0.291 124 V C 0.485 176.551 176.094 -0.047 0.000 1.049 124 V CA -0.391 61.889 62.300 -0.033 0.000 1.038 124 V CB 0.889 32.717 31.823 0.009 0.000 0.980 124 V HN 0.490 nan 8.190 nan 0.000 0.481 125 I N 5.177 125.619 120.570 -0.213 0.000 2.354 125 I HA 0.409 4.578 4.170 -0.000 0.000 0.292 125 I C -0.484 175.443 176.117 -0.316 0.000 0.989 125 I CA -0.454 60.756 61.300 -0.149 0.000 1.188 125 I CB 1.059 38.971 38.000 -0.147 0.000 1.342 125 I HN 0.413 nan 8.210 nan 0.000 0.457 126 F N 4.105 124.009 119.950 -0.077 0.000 2.311 126 F HA 0.240 4.767 4.527 -0.000 0.000 0.371 126 F C 0.745 176.495 175.800 -0.084 0.000 1.083 126 F CA -0.646 57.284 58.000 -0.117 0.000 1.113 126 F CB 0.764 39.703 39.000 -0.100 0.000 1.349 126 F HN 0.373 nan 8.300 nan 0.000 0.470 127 D N 4.150 124.523 120.400 -0.046 0.000 2.441 127 D HA 0.151 4.790 4.640 -0.000 0.000 0.221 127 D C -0.551 175.691 176.300 -0.097 0.000 1.156 127 D CA 0.009 53.962 54.000 -0.078 0.000 0.896 127 D CB 1.125 41.857 40.800 -0.114 0.000 1.028 127 D HN 0.168 nan 8.370 nan 0.000 0.509 128 V N 3.533 123.405 119.914 -0.070 0.000 2.267 128 V HA 0.303 4.423 4.120 -0.000 0.000 0.254 128 V C 1.442 177.445 176.094 -0.151 0.000 1.144 128 V CA -0.089 62.134 62.300 -0.129 0.000 0.992 128 V CB 0.362 32.133 31.823 -0.086 0.000 1.199 128 V HN 0.799 nan 8.190 nan 0.000 0.493 129 G N 3.616 112.316 108.800 -0.167 0.000 2.221 129 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.265 129 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.265 129 G C 0.470 175.289 174.900 -0.135 0.000 1.041 129 G CA 0.586 45.570 45.100 -0.193 0.000 0.807 129 G HN 0.545 nan 8.290 nan 0.000 0.502 130 L N -0.836 120.328 121.223 -0.098 0.000 2.541 130 L HA 0.356 4.696 4.340 -0.000 0.000 0.187 130 L C 2.314 179.159 176.870 -0.042 0.000 1.098 130 L CA 1.662 56.460 54.840 -0.070 0.000 0.846 130 L CB -0.418 41.573 42.059 -0.113 0.000 1.151 130 L HN 0.439 nan 8.230 nan 0.000 0.492 131 E N 0.102 120.266 120.200 -0.059 0.000 2.051 131 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 131 E C -0.229 176.357 176.600 -0.023 0.000 0.991 131 E CA 0.910 57.281 56.400 -0.047 0.000 0.799 131 E CB 0.424 30.085 29.700 -0.064 0.000 0.748 131 E HN 0.257 nan 8.360 nan 0.000 0.449 132 E N -0.314 119.871 120.200 -0.024 0.000 2.220 132 E HA 0.025 4.375 4.350 -0.000 0.000 0.256 132 E C -0.513 176.102 176.600 0.026 0.000 0.881 132 E CA -0.478 55.926 56.400 0.006 0.000 0.766 132 E CB 1.093 30.783 29.700 -0.016 0.000 1.187 132 E HN 0.230 nan 8.360 nan 0.000 0.419 133 Y N 3.164 123.430 120.300 -0.056 0.000 2.228 133 Y HA -0.254 4.296 4.550 -0.000 0.000 0.285 133 Y C 1.223 177.089 175.900 -0.058 0.000 1.178 133 Y CA 2.451 60.518 58.100 -0.056 0.000 1.202 133 Y CB 0.474 38.906 38.460 -0.047 0.000 0.974 133 Y HN 0.406 nan 8.280 nan 0.000 0.527 134 D N -1.062 119.357 120.400 0.031 0.000 2.525 134 D HA 0.167 4.807 4.640 -0.000 0.000 0.229 134 D C -0.381 175.879 176.300 -0.066 0.000 1.202 134 D CA -0.052 53.928 54.000 -0.033 0.000 0.828 134 D CB -0.068 40.758 40.800 0.042 0.000 1.008 134 D HN 0.233 nan 8.370 nan 0.000 0.493 135 K N -0.530 119.815 120.400 -0.091 0.000 2.508 135 K HA 0.525 4.845 4.320 -0.000 0.000 0.260 135 K C -1.481 175.043 176.600 -0.127 0.000 0.949 135 K CA -0.965 55.267 56.287 -0.093 0.000 0.834 135 K CB 3.219 35.679 32.500 -0.067 0.000 1.365 135 K HN -0.207 nan 8.250 nan 0.000 0.437 136 V N 3.506 123.340 119.914 -0.134 0.000 2.350 136 V HA 0.434 4.554 4.120 -0.000 0.000 0.285 136 V C -0.555 175.448 176.094 -0.151 0.000 1.014 136 V CA -0.654 61.540 62.300 -0.177 0.000 0.831 136 V CB 0.937 32.620 31.823 -0.233 0.000 1.000 136 V HN 0.565 nan 8.190 nan 0.000 0.433 137 I N 5.362 125.834 120.570 -0.163 0.000 2.362 137 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 137 I C -0.559 175.395 176.117 -0.272 0.000 0.994 137 I CA -0.788 60.405 61.300 -0.179 0.000 1.158 137 I CB 2.021 39.934 38.000 -0.145 0.000 1.315 137 I HN 0.250 nan 8.210 nan 0.000 0.451 138 V N 5.053 124.743 119.914 -0.373 0.000 2.417 138 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 138 V C -0.010 175.770 176.094 -0.524 0.000 1.024 138 V CA -0.372 61.529 62.300 -0.664 0.000 0.861 138 V CB 1.796 32.951 31.823 -1.113 0.000 0.985 138 V HN 0.723 nan 8.190 nan 0.000 0.436 139 T N 6.334 120.604 114.554 -0.473 0.000 2.770 139 T HA 0.658 5.008 4.350 -0.000 0.000 0.283 139 T C -0.456 174.067 174.700 -0.295 0.000 0.988 139 T CA -0.165 61.749 62.100 -0.309 0.000 0.957 139 T CB 0.943 69.682 68.868 -0.216 0.000 0.930 139 T HN 0.313 nan 8.240 nan 0.000 0.443 140 I N 6.073 126.515 120.570 -0.215 0.000 2.330 140 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 140 I C -1.856 174.215 176.117 -0.077 0.000 1.001 140 I CA -2.559 58.661 61.300 -0.132 0.000 1.193 140 I CB 1.577 39.539 38.000 -0.062 0.000 1.345 140 I HN 0.330 nan 8.210 nan 0.000 0.461 141 P HA 0.097 nan 4.420 nan 0.000 0.232 141 P C -0.719 176.565 177.300 -0.026 0.000 1.738 141 P CA 0.255 63.323 63.100 -0.053 0.000 0.948 141 P CB -0.124 31.537 31.700 -0.065 0.000 1.943 142 E N 0.159 120.352 120.200 -0.013 0.000 2.413 142 E HA 0.089 4.439 4.350 -0.000 0.000 0.277 142 E C -0.182 176.424 176.600 0.010 0.000 0.958 142 E CA -0.591 55.813 56.400 0.006 0.000 0.779 142 E CB 1.193 30.912 29.700 0.033 0.000 1.278 142 E HN -0.041 nan 8.360 nan 0.000 0.456 143 D N -0.436 119.972 120.400 0.013 0.000 2.317 143 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 143 D C 0.216 176.537 176.300 0.035 0.000 0.966 143 D CA 0.490 54.499 54.000 0.015 0.000 0.876 143 D CB 0.332 41.136 40.800 0.007 0.000 0.927 143 D HN 0.065 nan 8.370 nan 0.000 0.519 144 S N -1.188 114.543 115.700 0.053 0.000 2.599 144 S HA 0.718 5.188 4.470 -0.000 0.000 0.287 144 S C -1.266 173.395 174.600 0.101 0.000 1.105 144 S CA -0.800 57.446 58.200 0.076 0.000 0.899 144 S CB 2.646 65.892 63.200 0.077 0.000 1.100 144 S HN 0.083 nan 8.310 nan 0.000 0.482 145 V N 1.746 121.736 119.914 0.127 0.000 3.174 145 V HA 0.500 4.620 4.120 -0.000 0.000 0.280 145 V C -2.143 174.055 176.094 0.173 0.000 1.554 145 V CA -0.791 61.608 62.300 0.164 0.000 1.016 145 V CB 2.194 34.139 31.823 0.205 0.000 1.197 145 V HN 1.051 nan 8.190 nan 0.000 0.453 146 E N 4.735 125.019 120.200 0.140 0.000 2.199 146 E HA 0.748 5.098 4.350 -0.000 0.000 0.265 146 E C -1.327 175.275 176.600 0.003 0.000 0.882 146 E CA -0.604 55.794 56.400 -0.005 0.000 0.759 146 E CB 2.065 31.715 29.700 -0.083 0.000 1.148 146 E HN 0.712 nan 8.360 nan 0.000 0.412 147 F N 0.407 120.160 119.950 -0.329 0.000 2.640 147 F HA 0.709 5.236 4.527 -0.000 0.000 0.324 147 F C -1.587 173.920 175.800 -0.490 0.000 1.077 147 F CA -1.466 56.282 58.000 -0.420 0.000 0.965 147 F CB 1.045 39.615 39.000 -0.716 0.000 1.351 147 F HN 0.300 nan 8.300 nan 0.000 0.487 148 Y N 0.345 120.576 120.300 -0.116 0.000 2.462 148 Y HA 0.661 5.211 4.550 -0.000 0.000 0.346 148 Y C -0.757 175.108 175.900 -0.059 0.000 0.976 148 Y CA -1.655 56.398 58.100 -0.078 0.000 1.044 148 Y CB 2.089 40.589 38.460 0.067 0.000 1.230 148 Y HN 0.545 nan 8.280 nan 0.000 0.455 149 V N 4.993 124.944 119.914 0.062 0.000 2.347 149 V HA 0.404 4.524 4.120 -0.000 0.000 0.280 149 V C -0.247 175.839 176.094 -0.014 0.000 1.021 149 V CA -0.705 61.521 62.300 -0.124 0.000 0.847 149 V CB 0.877 32.634 31.823 -0.110 0.000 0.990 149 V HN 0.579 nan 8.190 nan 0.000 0.444 150 I N 4.468 124.951 120.570 -0.147 0.000 2.359 150 I HA 0.381 4.551 4.170 -0.000 0.000 0.284 150 I C 0.281 176.349 176.117 -0.081 0.000 1.018 150 I CA -0.623 60.641 61.300 -0.059 0.000 1.173 150 I CB 1.177 39.146 38.000 -0.051 0.000 1.326 150 I HN 0.493 nan 8.210 nan 0.000 0.462 151 E N 4.026 124.223 120.200 -0.005 0.000 2.404 151 E HA 0.163 4.513 4.350 -0.000 0.000 0.261 151 E C 0.590 177.177 176.600 -0.021 0.000 1.074 151 E CA 0.072 56.473 56.400 0.001 0.000 0.917 151 E CB 1.326 31.060 29.700 0.057 0.000 0.965 151 E HN 0.768 nan 8.360 nan 0.000 0.433 152 G N 2.167 110.956 108.800 -0.019 0.000 2.992 152 G HA2 0.035 3.995 3.960 -0.000 0.000 0.195 152 G HA3 0.035 3.995 3.960 -0.000 0.000 0.195 152 G C -1.407 173.480 174.900 -0.023 0.000 2.032 152 G CA -0.053 45.031 45.100 -0.026 0.000 0.831 152 G HN 0.437 nan 8.290 nan 0.000 0.647 153 P HA 0.116 nan 4.420 nan 0.000 0.235 153 P C 0.375 177.659 177.300 -0.027 0.000 1.177 153 P CA 0.214 63.307 63.100 -0.012 0.000 0.785 153 P CB 0.429 32.127 31.700 -0.003 0.000 0.885 154 R N -0.187 120.278 120.500 -0.058 0.000 2.490 154 R HA 0.325 4.665 4.340 -0.000 0.000 0.278 154 R C 1.750 177.970 176.300 -0.134 0.000 1.069 154 R CA -0.549 55.486 56.100 -0.107 0.000 1.080 154 R CB 0.844 31.052 30.300 -0.152 0.000 1.030 154 R HN -0.010 nan 8.270 nan 0.000 0.491 155 I N 1.290 121.747 120.570 -0.187 0.000 2.264 155 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 155 I C 2.380 178.356 176.117 -0.236 0.000 1.111 155 I CA 1.444 62.640 61.300 -0.174 0.000 1.382 155 I CB -0.206 37.693 38.000 -0.168 0.000 1.060 155 I HN 0.741 nan 8.210 nan 0.000 0.418 156 E N 1.015 120.950 120.200 -0.442 0.000 2.153 156 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 156 E C 1.602 178.142 176.600 -0.100 0.000 0.988 156 E CA 1.373 57.592 56.400 -0.301 0.000 0.811 156 E CB 0.108 29.549 29.700 -0.432 0.000 0.746 156 E HN 0.429 nan 8.360 nan 0.000 0.466 157 D N -0.041 120.297 120.400 -0.104 0.000 2.097 157 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 157 D C 2.084 178.366 176.300 -0.030 0.000 0.989 157 D CA 1.128 55.099 54.000 -0.048 0.000 0.827 157 D CB -0.214 40.556 40.800 -0.051 0.000 0.966 157 D HN 0.124 nan 8.370 nan 0.000 0.456 158 V N 1.503 121.392 119.914 -0.042 0.000 2.287 158 V HA -0.233 3.886 4.120 -0.000 0.000 0.248 158 V C 2.697 178.789 176.094 -0.004 0.000 1.053 158 V CA 1.248 63.528 62.300 -0.034 0.000 1.027 158 V CB -0.527 31.266 31.823 -0.049 0.000 0.646 158 V HN 0.205 nan 8.190 nan 0.000 0.447 159 L N -0.501 120.731 121.223 0.015 0.000 2.141 159 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 159 L C 2.581 179.491 176.870 0.066 0.000 1.094 159 L CA 1.474 56.351 54.840 0.062 0.000 0.763 159 L CB -0.612 41.507 42.059 0.100 0.000 0.908 159 L HN 0.432 nan 8.230 nan 0.000 0.437 160 E N 0.321 120.553 120.200 0.054 0.000 2.047 160 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 160 E C 2.183 178.750 176.600 -0.054 0.000 0.987 160 E CA 1.097 57.506 56.400 0.016 0.000 0.799 160 E CB 0.016 29.742 29.700 0.043 0.000 0.752 160 E HN 0.438 nan 8.360 nan 0.000 0.449 161 K N 0.217 120.589 120.400 -0.046 0.000 2.057 161 K HA -0.190 4.129 4.320 -0.000 0.000 0.207 161 K C 2.201 178.713 176.600 -0.146 0.000 1.049 161 K CA 1.308 57.543 56.287 -0.087 0.000 0.931 161 K CB -0.324 32.139 32.500 -0.061 0.000 0.714 161 K HN 0.155 nan 8.250 nan 0.000 0.440 162 Y N 2.294 122.455 120.300 -0.233 0.000 2.128 162 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 162 Y C 2.227 177.883 175.900 -0.406 0.000 1.154 162 Y CA 1.849 59.735 58.100 -0.357 0.000 1.149 162 Y CB -0.569 37.682 38.460 -0.350 0.000 0.976 162 Y HN -0.053 nan 8.280 nan 0.000 0.505 163 T N -0.035 114.300 114.554 -0.365 0.000 2.821 163 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 163 T C 1.601 176.054 174.700 -0.413 0.000 1.046 163 T CA 1.532 63.376 62.100 -0.427 0.000 1.139 163 T CB -0.264 68.472 68.868 -0.219 0.000 0.871 163 T HN 0.403 nan 8.240 nan 0.000 0.454 164 E N 1.010 121.023 120.200 -0.312 0.000 2.077 164 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 164 E C 2.016 178.428 176.600 -0.313 0.000 0.989 164 E CA 0.852 57.100 56.400 -0.252 0.000 0.800 164 E CB -0.481 29.111 29.700 -0.180 0.000 0.746 164 E HN 0.385 nan 8.360 nan 0.000 0.452 165 L N 0.168 121.128 121.223 -0.438 0.000 2.005 165 L HA -0.117 4.222 4.340 -0.000 0.000 0.207 165 L C 2.292 178.739 176.870 -0.705 0.000 1.072 165 L CA 2.143 56.671 54.840 -0.520 0.000 0.744 165 L CB -0.670 40.999 42.059 -0.649 0.000 0.895 165 L HN 0.450 nan 8.230 nan 0.000 0.433 166 T N -3.252 110.658 114.554 -1.074 0.000 3.067 166 T HA 0.327 4.677 4.350 -0.000 0.000 0.257 166 T C 0.750 175.120 174.700 -0.551 0.000 1.105 166 T CA 0.367 61.755 62.100 -1.186 0.000 1.104 166 T CB 0.354 68.274 68.868 -1.580 0.000 0.925 166 T HN 0.536 nan 8.240 nan 0.000 0.498 167 G N 1.230 109.742 108.800 -0.481 0.000 2.653 167 G HA2 0.181 4.141 3.960 -0.000 0.000 0.656 167 G HA3 0.181 4.141 3.960 -0.000 0.000 0.656 167 G C -1.245 173.452 174.900 -0.338 0.000 1.419 167 G CA -1.210 43.685 45.100 -0.341 0.000 0.862 167 G HN 0.245 nan 8.290 nan 0.000 0.639 168 K N 1.435 121.680 120.400 -0.258 0.000 2.237 168 K HA 0.421 4.741 4.320 -0.000 0.000 0.270 168 K C -2.255 174.220 176.600 -0.207 0.000 1.015 168 K CA -1.540 54.614 56.287 -0.223 0.000 0.949 168 K CB 1.059 33.462 32.500 -0.163 0.000 0.976 168 K HN 0.257 nan 8.250 nan 0.000 0.472 169 P HA 0.006 nan 4.420 nan 0.000 0.268 169 P C -0.322 176.998 177.300 0.033 0.000 1.205 169 P CA -0.220 62.787 63.100 -0.155 0.000 0.771 169 P CB 0.173 31.633 31.700 -0.400 0.000 0.858 170 F N 2.643 122.585 119.950 -0.012 0.000 2.444 170 F HA 0.368 4.895 4.527 -0.000 0.000 0.331 170 F C -0.292 175.662 175.800 0.256 0.000 1.167 170 F CA -1.264 56.804 58.000 0.114 0.000 1.262 170 F CB -0.250 38.872 39.000 0.203 0.000 1.196 170 F HN 0.071 nan 8.300 nan 0.000 0.583 171 L N 5.561 126.833 121.223 0.082 0.000 2.255 171 L HA 0.533 4.872 4.340 -0.000 0.000 0.289 171 L C -2.388 174.450 176.870 -0.054 0.000 1.046 171 L CA -2.321 52.485 54.840 -0.056 0.000 0.816 171 L CB 0.179 42.253 42.059 0.026 0.000 1.197 171 L HN 0.570 nan 8.230 nan 0.000 0.427 172 P HA 0.452 nan 4.420 nan 0.000 0.280 172 P C -2.933 174.448 177.300 0.134 0.000 1.272 172 P CA -1.826 61.258 63.100 -0.026 0.000 0.819 172 P CB 0.363 31.991 31.700 -0.120 0.000 1.122 173 P HA 0.131 nan 4.420 nan 0.000 0.274 173 P C 1.049 178.170 177.300 -0.297 0.000 1.237 173 P CA -0.264 62.707 63.100 -0.216 0.000 0.793 173 P CB 0.821 32.169 31.700 -0.586 0.000 0.977 174 M N 2.472 121.773 119.600 -0.499 0.000 2.202 174 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 174 M C 1.667 177.893 176.300 -0.122 0.000 1.063 174 M CA 1.806 56.648 55.300 -0.763 0.000 1.097 174 M CB -0.466 31.527 32.600 -1.011 0.000 1.382 174 M HN 0.472 nan 8.290 nan 0.000 0.413 175 W N -0.239 121.046 121.300 -0.025 0.000 2.525 175 W HA 0.055 4.715 4.660 -0.000 0.000 0.259 175 W C 1.489 178.015 176.519 0.012 0.000 1.253 175 W CA 0.652 58.014 57.345 0.028 0.000 1.262 175 W CB -1.164 28.299 29.460 0.004 0.000 1.122 175 W HN 0.332 nan 8.180 nan 0.000 0.607 176 A N 0.605 123.211 122.820 -0.355 0.000 2.121 176 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 176 A C 1.252 178.678 177.584 -0.264 0.000 1.154 176 A CA 0.758 52.478 52.037 -0.529 0.000 0.679 176 A CB -1.120 17.451 19.000 -0.715 0.000 0.795 176 A HN 0.273 nan 8.150 nan 0.000 0.458 177 F N -0.353 119.634 119.950 0.061 0.000 2.664 177 F HA 0.316 4.843 4.527 -0.000 0.000 0.303 177 F C 1.607 177.456 175.800 0.082 0.000 1.092 177 F CA -0.337 57.755 58.000 0.153 0.000 1.305 177 F CB -0.218 38.849 39.000 0.113 0.000 1.054 177 F HN 0.182 nan 8.300 nan 0.000 0.565 178 G N -1.066 107.886 108.800 0.253 0.000 2.563 178 G HA2 0.067 4.027 3.960 -0.000 0.000 0.283 178 G HA3 0.067 4.027 3.960 -0.000 0.000 0.283 178 G C -1.380 173.679 174.900 0.265 0.000 1.309 178 G CA -0.350 44.881 45.100 0.219 0.000 1.022 178 G HN 0.094 nan 8.290 nan 0.000 0.501 179 Y N 1.264 121.691 120.300 0.211 0.000 2.480 179 Y HA 0.418 4.968 4.550 -0.000 0.000 0.341 179 Y C 0.031 176.068 175.900 0.228 0.000 1.031 179 Y CA -1.149 57.131 58.100 0.300 0.000 1.295 179 Y CB 0.301 39.014 38.460 0.421 0.000 1.162 179 Y HN 0.074 nan 8.280 nan 0.000 0.523 180 M N 8.973 128.535 119.600 -0.063 0.000 2.336 180 M HA 0.401 4.881 4.480 -0.000 0.000 0.342 180 M C -0.494 175.579 176.300 -0.378 0.000 1.128 180 M CA -0.752 54.449 55.300 -0.165 0.000 1.016 180 M CB 1.291 33.858 32.600 -0.056 0.000 1.665 180 M HN 0.662 nan 8.290 nan 0.000 0.445 181 I N -0.412 120.024 120.570 -0.224 0.000 2.460 181 I HA 0.877 5.047 4.170 -0.000 0.000 0.298 181 I C -0.254 175.978 176.117 0.191 0.000 0.989 181 I CA -0.380 60.858 61.300 -0.103 0.000 1.173 181 I CB 2.072 40.022 38.000 -0.084 0.000 1.338 181 I HN 0.688 nan 8.210 nan 0.000 0.456 182 S N 4.411 120.255 115.700 0.239 0.000 2.615 182 S HA 0.742 5.212 4.470 -0.000 0.000 0.269 182 S C -1.108 173.566 174.600 0.125 0.000 1.161 182 S CA -0.756 57.615 58.200 0.285 0.000 0.817 182 S CB 2.149 65.297 63.200 -0.086 0.000 1.131 182 S HN 0.986 nan 8.310 nan 0.000 0.467 183 R N 0.582 121.093 120.500 0.017 0.000 2.741 183 R HA 0.346 4.686 4.340 -0.000 0.000 0.276 183 R C -2.407 174.014 176.300 0.201 0.000 1.028 183 R CA -0.580 55.399 56.100 -0.202 0.000 0.865 183 R CB 0.889 30.608 30.300 -0.968 0.000 1.268 183 R HN 0.690 nan 8.270 nan 0.000 0.475 184 Y N 1.779 122.081 120.300 0.004 0.000 2.919 184 Y HA 0.578 5.127 4.550 -0.000 0.000 0.341 184 Y C -1.629 174.313 175.900 0.070 0.000 1.045 184 Y CA -0.514 57.711 58.100 0.208 0.000 1.218 184 Y CB 0.430 39.075 38.460 0.308 0.000 1.137 184 Y HN 0.529 nan 8.280 nan 0.000 0.577 185 S N 2.507 118.221 115.700 0.023 0.000 2.720 185 S HA 0.540 5.010 4.470 -0.000 0.000 0.287 185 S C -1.907 172.863 174.600 0.283 0.000 1.168 185 S CA -0.631 57.731 58.200 0.269 0.000 0.832 185 S CB 1.286 64.770 63.200 0.474 0.000 1.166 185 S HN 0.233 nan 8.310 nan 0.000 0.493 186 Y N 1.872 122.470 120.300 0.498 0.000 2.326 186 Y HA 0.647 5.197 4.550 -0.000 0.000 0.337 186 Y C -0.199 176.075 175.900 0.623 0.000 1.023 186 Y CA -0.595 57.744 58.100 0.397 0.000 1.143 186 Y CB 0.555 39.210 38.460 0.325 0.000 1.183 186 Y HN 0.701 nan 8.280 nan 0.000 0.485 187 Y N 2.194 122.682 120.300 0.313 0.000 2.841 187 Y HA 0.551 5.101 4.550 -0.000 0.000 0.373 187 Y C -3.336 172.563 175.900 -0.002 0.000 1.170 187 Y CA -2.713 55.480 58.100 0.155 0.000 1.196 187 Y CB 0.024 38.650 38.460 0.278 0.000 1.433 187 Y HN 0.327 nan 8.280 nan 0.000 0.479 188 P HA 0.096 nan 4.420 nan 0.000 0.286 188 P C 0.304 177.374 177.300 -0.383 0.000 1.293 188 P CA 0.198 63.168 63.100 -0.217 0.000 0.770 188 P CB 0.941 32.551 31.700 -0.151 0.000 1.206 189 Q N -0.390 118.968 119.800 -0.736 0.000 2.197 189 Q HA -0.224 4.116 4.340 -0.000 0.000 0.207 189 Q C 0.965 176.874 176.000 -0.153 0.000 0.984 189 Q CA 1.879 57.438 55.803 -0.408 0.000 0.869 189 Q CB -0.701 27.841 28.738 -0.326 0.000 0.906 189 Q HN 0.302 nan 8.270 nan 0.000 0.426 190 D N 0.918 121.232 120.400 -0.144 0.000 2.144 190 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 190 D C 1.766 178.024 176.300 -0.071 0.000 0.978 190 D CA 0.925 54.872 54.000 -0.088 0.000 0.833 190 D CB -0.020 40.735 40.800 -0.075 0.000 0.961 190 D HN 0.219 nan 8.370 nan 0.000 0.470 191 K N 0.674 121.028 120.400 -0.076 0.000 2.148 191 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 191 K C 2.207 178.772 176.600 -0.058 0.000 1.050 191 K CA 0.198 56.449 56.287 -0.060 0.000 0.942 191 K CB -0.393 32.066 32.500 -0.069 0.000 0.724 191 K HN 0.097 nan 8.250 nan 0.000 0.446 192 V N 1.076 120.974 119.914 -0.026 0.000 2.295 192 V HA -0.205 3.914 4.120 -0.000 0.000 0.246 192 V C 2.459 178.510 176.094 -0.072 0.000 1.049 192 V CA 1.454 63.737 62.300 -0.028 0.000 1.024 192 V CB -0.412 31.483 31.823 0.120 0.000 0.648 192 V HN -0.030 nan 8.190 nan 0.000 0.447 193 V N -0.273 119.611 119.914 -0.050 0.000 2.453 193 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 193 V C 2.360 178.417 176.094 -0.062 0.000 1.048 193 V CA 1.808 64.075 62.300 -0.056 0.000 1.049 193 V CB -0.691 31.102 31.823 -0.051 0.000 0.672 193 V HN 0.597 nan 8.190 nan 0.000 0.457 194 E N 0.045 120.209 120.200 -0.059 0.000 2.085 194 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 194 E C 2.140 178.702 176.600 -0.063 0.000 0.994 194 E CA 1.475 57.845 56.400 -0.050 0.000 0.801 194 E CB -0.249 29.429 29.700 -0.036 0.000 0.743 194 E HN 0.413 nan 8.360 nan 0.000 0.453 195 L N 0.636 121.803 121.223 -0.092 0.000 2.046 195 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 195 L C 2.216 179.006 176.870 -0.135 0.000 1.077 195 L CA 1.362 56.124 54.840 -0.130 0.000 0.747 195 L CB -0.344 41.574 42.059 -0.234 0.000 0.896 195 L HN -0.047 nan 8.230 nan 0.000 0.432 196 V N -0.077 119.763 119.914 -0.124 0.000 2.343 196 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 196 V C 2.320 178.384 176.094 -0.051 0.000 1.051 196 V CA 1.961 64.210 62.300 -0.086 0.000 1.036 196 V CB -0.783 30.996 31.823 -0.072 0.000 0.654 196 V HN 0.470 nan 8.190 nan 0.000 0.451 197 D N 0.030 120.399 120.400 -0.051 0.000 2.097 197 D HA -0.123 4.516 4.640 -0.000 0.000 0.195 197 D C 2.088 178.371 176.300 -0.028 0.000 0.989 197 D CA 1.447 55.427 54.000 -0.034 0.000 0.827 197 D CB -0.168 40.612 40.800 -0.034 0.000 0.966 197 D HN 0.404 nan 8.370 nan 0.000 0.456 198 I N 0.514 121.054 120.570 -0.049 0.000 2.226 198 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 198 I C 2.483 178.585 176.117 -0.026 0.000 1.100 198 I CA 0.678 61.945 61.300 -0.056 0.000 1.374 198 I CB -0.211 37.720 38.000 -0.114 0.000 1.057 198 I HN 0.002 nan 8.210 nan 0.000 0.413 199 M N 0.196 119.777 119.600 -0.031 0.000 2.080 199 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 199 M C 2.361 178.771 176.300 0.183 0.000 1.068 199 M CA 1.979 57.321 55.300 0.069 0.000 1.109 199 M CB -1.123 31.491 32.600 0.023 0.000 1.342 199 M HN 0.337 nan 8.290 nan 0.000 0.405 200 Q N -0.405 119.448 119.800 0.089 0.000 2.079 200 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 200 Q C 2.106 178.131 176.000 0.041 0.000 0.974 200 Q CA 1.316 57.159 55.803 0.068 0.000 0.840 200 Q CB -0.274 28.479 28.738 0.024 0.000 0.898 200 Q HN 0.481 nan 8.270 nan 0.000 0.430 201 K N 1.300 121.716 120.400 0.027 0.000 2.103 201 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 201 K C 1.157 177.765 176.600 0.015 0.000 1.048 201 K CA 1.216 57.508 56.287 0.009 0.000 0.930 201 K CB 0.142 32.642 32.500 0.000 0.000 0.716 201 K HN 0.167 nan 8.250 nan 0.000 0.444 202 E N -0.974 119.261 120.200 0.059 0.000 2.445 202 E HA 0.040 4.390 4.350 -0.000 0.000 0.189 202 E C 0.391 176.961 176.600 -0.051 0.000 1.069 202 E CA 0.341 56.778 56.400 0.062 0.000 0.871 202 E CB 0.462 30.263 29.700 0.168 0.000 0.991 202 E HN 0.626 nan 8.360 nan 0.000 0.481 203 G N 1.102 109.859 108.800 -0.072 0.000 2.157 203 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.239 203 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.239 203 G C -0.115 174.592 174.900 -0.320 0.000 0.982 203 G CA -0.436 44.533 45.100 -0.218 0.000 0.650 203 G HN 0.192 nan 8.290 nan 0.000 0.527 204 F N 1.095 121.064 119.950 0.031 0.000 2.411 204 F HA 0.533 5.060 4.527 -0.000 0.000 0.355 204 F C 1.068 176.942 175.800 0.123 0.000 1.117 204 F CA -0.759 57.306 58.000 0.108 0.000 1.139 204 F CB 1.164 40.277 39.000 0.188 0.000 1.120 204 F HN 0.035 nan 8.300 nan 0.000 0.493 205 R N 3.637 124.287 120.500 0.249 0.000 2.272 205 R HA 0.410 4.750 4.340 -0.000 0.000 0.334 205 R C -1.393 175.115 176.300 0.347 0.000 1.117 205 R CA -0.231 55.936 56.100 0.111 0.000 0.966 205 R CB 0.236 30.357 30.300 -0.298 0.000 1.049 205 R HN 0.522 nan 8.270 nan 0.000 0.477 206 V N 5.163 125.222 119.914 0.241 0.000 2.383 206 V HA 0.205 4.324 4.120 -0.000 0.000 0.275 206 V C 1.041 177.217 176.094 0.137 0.000 1.036 206 V CA 0.008 62.422 62.300 0.189 0.000 0.889 206 V CB 1.139 32.996 31.823 0.058 0.000 0.985 206 V HN 0.980 nan 8.190 nan 0.000 0.459 207 A N 4.084 127.022 122.820 0.197 0.000 1.930 207 A HA 0.561 4.881 4.320 -0.000 0.000 0.215 207 A C 1.110 178.708 177.584 0.024 0.000 1.176 207 A CA 1.111 53.246 52.037 0.163 0.000 0.632 207 A CB -0.080 19.101 19.000 0.302 0.000 0.819 207 A HN 1.120 nan 8.150 nan 0.000 0.445 208 G N -1.939 106.876 108.800 0.026 0.000 2.601 208 G HA2 0.532 4.492 3.960 -0.000 0.000 0.291 208 G HA3 0.532 4.492 3.960 -0.000 0.000 0.291 208 G C -1.200 173.728 174.900 0.046 0.000 1.456 208 G CA 0.135 45.212 45.100 -0.038 0.000 0.804 208 G HN 1.158 nan 8.290 nan 0.000 0.499 209 V N -1.925 118.010 119.914 0.035 0.000 2.680 209 V HA 0.886 5.006 4.120 -0.000 0.000 0.309 209 V C -1.165 175.059 176.094 0.216 0.000 1.052 209 V CA -1.297 61.116 62.300 0.188 0.000 0.908 209 V CB 1.521 33.421 31.823 0.128 0.000 1.001 209 V HN 0.516 nan 8.190 nan 0.000 0.431 210 F N 4.036 124.085 119.950 0.165 0.000 2.421 210 F HA 0.733 5.259 4.527 -0.000 0.000 0.337 210 F C -0.112 175.922 175.800 0.390 0.000 1.105 210 F CA -1.025 57.109 58.000 0.223 0.000 1.049 210 F CB 1.754 40.764 39.000 0.018 0.000 1.139 210 F HN 0.350 nan 8.300 nan 0.000 0.479 211 L N 4.060 125.597 121.223 0.524 0.000 2.280 211 L HA 0.323 4.663 4.340 -0.000 0.000 0.287 211 L C 0.058 177.329 176.870 0.669 0.000 1.023 211 L CA -0.279 54.875 54.840 0.523 0.000 0.819 211 L CB 0.486 42.665 42.059 0.200 0.000 1.212 211 L HN 0.518 nan 8.230 nan 0.000 0.420 212 D N 2.046 122.838 120.400 0.654 0.000 2.451 212 D HA 0.138 4.778 4.640 -0.000 0.000 0.259 212 D C 1.696 178.192 176.300 0.327 0.000 1.201 212 D CA -0.301 53.987 54.000 0.481 0.000 1.028 212 D CB 1.061 42.209 40.800 0.579 0.000 1.095 212 D HN 0.548 nan 8.370 nan 0.000 0.539 213 I N -0.704 119.913 120.570 0.077 0.000 2.597 213 I HA -0.295 3.875 4.170 -0.000 0.000 0.262 213 I C 1.166 177.206 176.117 -0.129 0.000 1.194 213 I CA 1.362 62.596 61.300 -0.111 0.000 1.437 213 I CB -0.548 37.399 38.000 -0.088 0.000 1.096 213 I HN 0.265 nan 8.210 nan 0.000 0.451 214 H N 0.516 119.581 119.070 -0.008 0.000 2.545 214 H HA -0.117 4.439 4.556 -0.000 0.000 0.282 214 H C 1.786 177.045 175.328 -0.114 0.000 1.020 214 H CA 1.877 57.805 56.048 -0.201 0.000 1.243 214 H CB -0.375 29.057 29.762 -0.550 0.000 1.377 214 H HN 0.793 nan 8.280 nan 0.000 0.581 215 Y N -0.918 119.410 120.300 0.048 0.000 2.457 215 Y HA 0.127 4.677 4.550 -0.000 0.000 0.292 215 Y C 0.601 176.490 175.900 -0.018 0.000 1.125 215 Y CA -0.312 57.707 58.100 -0.136 0.000 1.254 215 Y CB -0.386 37.718 38.460 -0.595 0.000 1.012 215 Y HN -0.039 nan 8.280 nan 0.000 0.555 216 M N 1.345 120.616 119.600 -0.548 0.000 2.202 216 M HA 0.072 4.552 4.480 -0.000 0.000 0.316 216 M C -0.510 175.715 176.300 -0.126 0.000 1.138 216 M CA -0.226 54.823 55.300 -0.419 0.000 1.151 216 M CB 0.321 32.553 32.600 -0.614 0.000 1.422 216 M HN 0.079 nan 8.290 nan 0.000 0.471 217 D N 0.401 120.737 120.400 -0.107 0.000 2.380 217 D HA 0.196 4.836 4.640 -0.000 0.000 0.230 217 D C -0.408 175.751 176.300 -0.235 0.000 1.154 217 D CA 0.210 54.130 54.000 -0.133 0.000 0.859 217 D CB 0.289 41.058 40.800 -0.052 0.000 1.045 217 D HN 0.612 nan 8.370 nan 0.000 0.495 218 S N 3.010 118.510 115.700 -0.332 0.000 3.587 218 S HA -0.277 4.193 4.470 -0.000 0.000 0.337 218 S C 0.086 174.496 174.600 -0.316 0.000 1.119 218 S CA 0.706 58.686 58.200 -0.366 0.000 0.976 218 S CB -1.891 61.198 63.200 -0.185 0.000 0.922 218 S HN 0.642 nan 8.310 nan 0.000 0.503 219 Y N -2.343 117.857 120.300 -0.167 0.000 4.668 219 Y HA -0.251 4.299 4.550 -0.000 0.000 0.234 219 Y C 0.656 176.414 175.900 -0.236 0.000 1.056 219 Y CA 0.994 58.977 58.100 -0.195 0.000 2.025 219 Y CB -1.978 36.429 38.460 -0.088 0.000 1.613 219 Y HN 0.472 nan 8.280 nan 0.000 0.653 220 K N 1.442 121.711 120.400 -0.217 0.000 2.312 220 K HA 0.382 4.701 4.320 -0.000 0.000 0.287 220 K C 0.469 176.936 176.600 -0.221 0.000 1.062 220 K CA -0.515 55.585 56.287 -0.311 0.000 0.934 220 K CB 0.599 32.817 32.500 -0.469 0.000 1.027 220 K HN 0.140 nan 8.250 nan 0.000 0.478 221 L N 4.024 125.138 121.223 -0.181 0.000 2.506 221 L HA -0.049 4.290 4.340 -0.000 0.000 0.281 221 L C 0.095 176.686 176.870 -0.466 0.000 1.228 221 L CA 0.168 54.692 54.840 -0.526 0.000 0.850 221 L CB -0.391 41.276 42.059 -0.654 0.000 1.110 221 L HN 0.698 nan 8.230 nan 0.000 0.496 222 F N -0.019 119.559 119.950 -0.621 0.000 3.074 222 F HA -0.215 4.312 4.527 -0.000 0.000 0.287 222 F C 0.605 176.285 175.800 -0.200 0.000 0.932 222 F CA 0.869 58.391 58.000 -0.798 0.000 0.995 222 F CB -2.638 36.108 39.000 -0.425 0.000 0.966 222 F HN 0.717 nan 8.300 nan 0.000 0.721 223 T N -4.356 110.143 114.554 -0.093 0.000 2.864 223 T HA 0.724 5.074 4.350 -0.000 0.000 0.299 223 T C -0.901 173.845 174.700 0.078 0.000 1.166 223 T CA -1.019 61.164 62.100 0.139 0.000 1.007 223 T CB 2.009 70.956 68.868 0.131 0.000 1.219 223 T HN 0.189 nan 8.240 nan 0.000 0.506 224 W N 1.035 122.546 121.300 0.351 0.000 2.632 224 W HA 0.446 5.106 4.660 -0.000 0.000 0.328 224 W C 0.403 177.106 176.519 0.308 0.000 1.044 224 W CA -0.820 56.752 57.345 0.378 0.000 1.225 224 W CB 1.067 30.736 29.460 0.347 0.000 1.396 224 W HN 0.770 nan 8.180 nan 0.000 0.499 225 H N 6.117 125.504 119.070 0.528 0.000 3.046 225 H HA -0.011 4.544 4.556 -0.000 0.000 0.303 225 H C -1.228 174.328 175.328 0.380 0.000 1.002 225 H CA -0.574 55.704 56.048 0.383 0.000 1.460 225 H CB 1.201 31.209 29.762 0.412 0.000 1.493 225 H HN 0.201 nan 8.280 nan 0.000 0.559 226 P HA -0.181 nan 4.420 nan 0.000 0.221 226 P C 0.419 177.736 177.300 0.028 0.000 1.145 226 P CA 1.425 64.548 63.100 0.039 0.000 0.795 226 P CB 0.093 31.693 31.700 -0.166 0.000 0.775 227 Y N -0.520 120.056 120.300 0.460 0.000 2.559 227 Y HA 0.226 4.776 4.550 -0.000 0.000 0.279 227 Y C 2.823 178.875 175.900 0.252 0.000 1.117 227 Y CA 0.311 58.626 58.100 0.357 0.000 1.263 227 Y CB -0.259 38.431 38.460 0.384 0.000 1.230 227 Y HN -0.240 nan 8.280 nan 0.000 0.528 228 R N -0.775 120.009 120.500 0.472 0.000 2.100 228 R HA 0.069 4.409 4.340 -0.000 0.000 0.220 228 R C -0.398 175.770 176.300 -0.220 0.000 1.091 228 R CA 0.988 57.132 56.100 0.073 0.000 0.986 228 R CB 0.046 30.404 30.300 0.098 0.000 0.888 228 R HN 0.116 nan 8.270 nan 0.000 0.444 229 F N 0.649 120.799 119.950 0.335 0.000 2.564 229 F HA 0.300 4.827 4.527 -0.000 0.000 0.329 229 F C -1.776 174.094 175.800 0.116 0.000 1.458 229 F CA -2.208 55.927 58.000 0.225 0.000 1.117 229 F CB 1.583 40.837 39.000 0.423 0.000 1.383 229 F HN -0.126 nan 8.300 nan 0.000 0.571 230 P HA -0.119 nan 4.420 nan 0.000 0.221 230 P C -0.087 177.201 177.300 -0.020 0.000 1.150 230 P CA 1.292 64.431 63.100 0.065 0.000 0.800 230 P CB 0.484 32.195 31.700 0.018 0.000 0.787 231 E N 0.214 120.371 120.200 -0.071 0.000 3.651 231 E HA 0.156 4.506 4.350 -0.000 0.000 0.220 231 E C -1.854 174.601 176.600 -0.242 0.000 1.222 231 E CA -1.747 54.570 56.400 -0.139 0.000 1.114 231 E CB 0.954 30.594 29.700 -0.100 0.000 1.278 231 E HN 0.252 nan 8.360 nan 0.000 0.412 232 P HA -0.242 nan 4.420 nan 0.000 0.216 232 P C 1.321 178.316 177.300 -0.507 0.000 1.150 232 P CA 1.102 63.733 63.100 -0.782 0.000 0.837 232 P CB 0.443 30.989 31.700 -1.923 0.000 0.786 233 K N 0.586 120.764 120.400 -0.371 0.000 2.103 233 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 233 K C 2.410 178.897 176.600 -0.189 0.000 1.048 233 K CA 1.494 57.636 56.287 -0.242 0.000 0.930 233 K CB -0.212 32.185 32.500 -0.170 0.000 0.716 233 K HN -0.035 nan 8.250 nan 0.000 0.444 234 K N 0.712 121.010 120.400 -0.171 0.000 2.057 234 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 234 K C 2.173 178.694 176.600 -0.132 0.000 1.049 234 K CA 1.222 57.433 56.287 -0.127 0.000 0.931 234 K CB -0.150 32.286 32.500 -0.107 0.000 0.714 234 K HN 0.103 nan 8.250 nan 0.000 0.440 235 L N 1.679 122.808 121.223 -0.157 0.000 2.017 235 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 235 L C 1.970 178.739 176.870 -0.169 0.000 1.073 235 L CA 1.611 56.373 54.840 -0.129 0.000 0.745 235 L CB -0.335 41.672 42.059 -0.087 0.000 0.894 235 L HN 0.244 nan 8.230 nan 0.000 0.432 236 I N -0.162 120.267 120.570 -0.235 0.000 2.286 236 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 236 I C 1.988 177.918 176.117 -0.312 0.000 1.115 236 I CA 1.355 62.450 61.300 -0.342 0.000 1.392 236 I CB -0.627 37.177 38.000 -0.327 0.000 1.065 236 I HN 0.347 nan 8.210 nan 0.000 0.418 237 D N 0.745 121.052 120.400 -0.155 0.000 2.123 237 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 237 D C 2.054 178.320 176.300 -0.057 0.000 0.976 237 D CA 1.070 55.034 54.000 -0.060 0.000 0.831 237 D CB -0.184 40.588 40.800 -0.048 0.000 0.974 237 D HN 0.404 nan 8.370 nan 0.000 0.469 238 E N 0.465 120.616 120.200 -0.081 0.000 2.085 238 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 238 E C 2.326 178.886 176.600 -0.066 0.000 0.994 238 E CA 0.638 56.999 56.400 -0.066 0.000 0.801 238 E CB -0.026 29.632 29.700 -0.069 0.000 0.743 238 E HN 0.264 nan 8.360 nan 0.000 0.453 239 L N -0.514 120.646 121.223 -0.105 0.000 2.095 239 L HA -0.111 4.229 4.340 -0.000 0.000 0.204 239 L C 2.253 179.092 176.870 -0.053 0.000 1.080 239 L CA 1.039 55.815 54.840 -0.107 0.000 0.759 239 L CB -0.384 41.573 42.059 -0.170 0.000 0.914 239 L HN 0.220 nan 8.230 nan 0.000 0.439 240 H N -0.409 118.602 119.070 -0.099 0.000 2.457 240 H HA -0.162 4.394 4.556 -0.000 0.000 0.294 240 H C 2.176 177.451 175.328 -0.089 0.000 1.064 240 H CA 0.824 56.806 56.048 -0.110 0.000 1.330 240 H CB 0.337 30.035 29.762 -0.107 0.000 1.395 240 H HN 0.168 nan 8.280 nan 0.000 0.541 241 K N 1.009 121.440 120.400 0.052 0.000 2.148 241 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 241 K C 1.464 178.057 176.600 -0.010 0.000 1.050 241 K CA 0.936 57.227 56.287 0.006 0.000 0.942 241 K CB 0.225 32.719 32.500 -0.010 0.000 0.724 241 K HN 0.212 nan 8.250 nan 0.000 0.446 242 R N 0.070 120.562 120.500 -0.014 0.000 2.356 242 R HA 0.104 4.443 4.340 -0.000 0.000 0.234 242 R C -0.128 176.155 176.300 -0.027 0.000 0.929 242 R CA 0.153 56.239 56.100 -0.024 0.000 1.084 242 R CB -0.287 29.996 30.300 -0.029 0.000 1.105 242 R HN 0.341 nan 8.270 nan 0.000 0.515 243 N N 0.244 118.928 118.700 -0.025 0.000 2.754 243 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 243 N C -1.334 174.136 175.510 -0.066 0.000 1.093 243 N CA -0.113 52.907 53.050 -0.049 0.000 0.699 243 N CB -0.261 38.196 38.487 -0.051 0.000 1.016 243 N HN -0.061 nan 8.380 nan 0.000 0.552 244 V N 1.537 121.419 119.914 -0.053 0.000 2.448 244 V HA 0.355 4.475 4.120 -0.000 0.000 0.295 244 V C 0.318 176.333 176.094 -0.131 0.000 1.025 244 V CA -0.770 61.477 62.300 -0.088 0.000 0.859 244 V CB 1.782 33.566 31.823 -0.065 0.000 0.988 244 V HN 0.065 nan 8.190 nan 0.000 0.431 245 K N 3.308 123.550 120.400 -0.264 0.000 2.202 245 K HA 0.476 4.796 4.320 -0.000 0.000 0.264 245 K C -0.632 175.816 176.600 -0.254 0.000 1.010 245 K CA -0.542 55.522 56.287 -0.373 0.000 0.940 245 K CB 1.541 33.532 32.500 -0.848 0.000 0.983 245 K HN 0.455 nan 8.250 nan 0.000 0.475 246 L N 2.802 123.892 121.223 -0.222 0.000 2.319 246 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 246 L C -1.297 175.496 176.870 -0.128 0.000 1.005 246 L CA -0.489 54.253 54.840 -0.163 0.000 0.828 246 L CB 0.935 42.897 42.059 -0.161 0.000 1.227 246 L HN 0.410 nan 8.230 nan 0.000 0.415 247 I N 3.959 124.400 120.570 -0.216 0.000 2.378 247 I HA 0.544 4.714 4.170 -0.000 0.000 0.291 247 I C 0.134 176.250 176.117 -0.002 0.000 0.992 247 I CA -0.093 61.085 61.300 -0.203 0.000 1.154 247 I CB 2.108 39.602 38.000 -0.843 0.000 1.315 247 I HN 0.714 nan 8.210 nan 0.000 0.448 248 T N 4.212 118.883 114.554 0.195 0.000 2.823 248 T HA 0.651 5.001 4.350 -0.000 0.000 0.279 248 T C -0.111 174.841 174.700 0.419 0.000 0.998 248 T CA -0.677 61.583 62.100 0.266 0.000 0.994 248 T CB 1.362 70.344 68.868 0.192 0.000 0.960 248 T HN 0.458 nan 8.240 nan 0.000 0.448 249 I N 2.809 123.654 120.570 0.459 0.000 2.575 249 I HA 0.479 4.649 4.170 -0.000 0.000 0.285 249 I C -1.021 175.118 176.117 0.037 0.000 1.085 249 I CA -0.437 60.940 61.300 0.127 0.000 1.403 249 I CB 0.635 38.419 38.000 -0.361 0.000 1.409 249 I HN 0.503 nan 8.210 nan 0.000 0.557 250 V N 7.186 127.079 119.914 -0.034 0.000 2.524 250 V HA 0.312 4.432 4.120 -0.000 0.000 0.297 250 V C -0.446 175.677 176.094 0.048 0.000 1.035 250 V CA -0.866 61.392 62.300 -0.071 0.000 0.867 250 V CB 1.463 33.281 31.823 -0.009 0.000 1.004 250 V HN 0.706 nan 8.190 nan 0.000 0.426 251 D N 2.443 122.875 120.400 0.053 0.000 2.440 251 D HA 0.253 4.893 4.640 -0.000 0.000 0.269 251 D C 0.676 177.212 176.300 0.394 0.000 1.249 251 D CA -0.211 53.918 54.000 0.215 0.000 1.055 251 D CB 0.764 41.689 40.800 0.209 0.000 1.104 251 D HN 0.811 nan 8.370 nan 0.000 0.561 252 H N -1.816 117.399 119.070 0.241 0.000 2.652 252 H HA 0.285 4.841 4.556 -0.000 0.000 0.274 252 H C 0.366 175.932 175.328 0.397 0.000 1.021 252 H CA -0.433 55.844 56.048 0.381 0.000 1.187 252 H CB -0.216 29.833 29.762 0.478 0.000 1.505 252 H HN 0.215 nan 8.280 nan 0.000 0.530 253 G N 2.204 110.945 108.800 -0.099 0.000 2.325 253 G HA2 0.463 4.422 3.960 -0.000 0.000 0.298 253 G HA3 0.463 4.422 3.960 -0.000 0.000 0.298 253 G C -0.452 174.360 174.900 -0.148 0.000 1.134 253 G CA -0.497 44.388 45.100 -0.357 0.000 0.876 253 G HN 0.192 nan 8.290 nan 0.000 0.452 254 I N 2.288 122.745 120.570 -0.188 0.000 2.312 254 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 254 I C 0.806 176.830 176.117 -0.155 0.000 1.008 254 I CA -0.828 60.508 61.300 0.059 0.000 1.226 254 I CB 1.320 39.456 38.000 0.228 0.000 1.371 254 I HN 0.536 nan 8.210 nan 0.000 0.468 255 R N 5.148 125.573 120.500 -0.124 0.000 2.522 255 R HA 0.168 4.508 4.340 -0.000 0.000 0.284 255 R C -0.588 175.434 176.300 -0.465 0.000 1.032 255 R CA -0.194 55.709 56.100 -0.327 0.000 1.049 255 R CB 0.618 30.648 30.300 -0.450 0.000 0.956 255 R HN 0.429 nan 8.270 nan 0.000 0.422 256 V N 5.858 125.375 119.914 -0.662 0.000 2.242 256 V HA 0.027 4.147 4.120 -0.000 0.000 0.242 256 V C 0.009 175.638 176.094 -0.775 0.000 1.240 256 V CA 0.436 62.058 62.300 -1.129 0.000 1.211 256 V CB -0.088 31.299 31.823 -0.728 0.000 1.338 256 V HN 0.687 nan 8.190 nan 0.000 0.499 257 D N 2.755 122.745 120.400 -0.684 0.000 2.593 257 D HA 0.223 4.863 4.640 -0.000 0.000 0.251 257 D C 0.835 177.181 176.300 0.075 0.000 1.140 257 D CA -0.502 53.380 54.000 -0.197 0.000 0.855 257 D CB 2.146 42.898 40.800 -0.080 0.000 1.267 257 D HN 0.378 nan 8.370 nan 0.000 0.532 258 Q N 2.058 121.919 119.800 0.101 0.000 2.234 258 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 258 Q C 0.399 176.526 176.000 0.212 0.000 0.980 258 Q CA 1.445 57.371 55.803 0.205 0.000 0.869 258 Q CB 0.136 28.944 28.738 0.118 0.000 0.912 258 Q HN 0.464 nan 8.270 nan 0.000 0.436 259 N N -1.137 117.676 118.700 0.188 0.000 2.282 259 N HA 0.039 4.779 4.740 -0.000 0.000 0.240 259 N C -1.302 174.358 175.510 0.250 0.000 1.182 259 N CA -0.234 52.922 53.050 0.178 0.000 0.874 259 N CB 0.687 39.247 38.487 0.121 0.000 1.126 259 N HN 0.073 nan 8.380 nan 0.000 0.516 260 Y N 1.320 121.710 120.300 0.151 0.000 2.385 260 Y HA 0.295 4.845 4.550 -0.000 0.000 0.341 260 Y C 1.383 177.423 175.900 0.233 0.000 0.965 260 Y CA -0.994 57.203 58.100 0.162 0.000 1.180 260 Y CB 0.773 39.308 38.460 0.126 0.000 1.139 260 Y HN -0.089 nan 8.280 nan 0.000 0.502 261 S N 5.876 121.536 115.700 -0.067 0.000 2.378 261 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 261 S C -0.747 173.783 174.600 -0.116 0.000 1.052 261 S CA 2.320 60.471 58.200 -0.082 0.000 1.084 261 S CB -0.726 62.448 63.200 -0.043 0.000 0.950 261 S HN 0.727 nan 8.310 nan 0.000 0.440 262 P HA -0.072 nan 4.420 nan 0.000 0.218 262 P C 1.211 178.726 177.300 0.359 0.000 1.148 262 P CA 0.881 64.013 63.100 0.054 0.000 0.822 262 P CB -0.151 31.507 31.700 -0.070 0.000 0.784 263 F N 0.253 120.236 119.950 0.055 0.000 2.113 263 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 263 F C 1.869 177.818 175.800 0.248 0.000 1.103 263 F CA 1.438 59.597 58.000 0.266 0.000 1.248 263 F CB -0.995 38.139 39.000 0.225 0.000 0.999 263 F HN -0.247 nan 8.300 nan 0.000 0.475 264 L N -0.156 121.073 121.223 0.010 0.000 2.056 264 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 264 L C 2.692 179.492 176.870 -0.116 0.000 1.078 264 L CA 1.483 56.246 54.840 -0.129 0.000 0.749 264 L CB -1.118 40.938 42.059 -0.005 0.000 0.901 264 L HN 0.307 nan 8.230 nan 0.000 0.433 265 S N -0.341 115.361 115.700 0.003 0.000 2.436 265 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 265 S C 1.919 176.363 174.600 -0.261 0.000 1.014 265 S CA 0.681 58.892 58.200 0.018 0.000 0.950 265 S CB -0.448 62.899 63.200 0.245 0.000 0.784 265 S HN 0.387 nan 8.310 nan 0.000 0.504 266 G N 0.844 109.388 108.800 -0.426 0.000 2.712 266 G HA2 0.164 4.124 3.960 -0.000 0.000 0.212 266 G HA3 0.164 4.124 3.960 -0.000 0.000 0.212 266 G C 0.428 174.399 174.900 -1.547 0.000 1.142 266 G CA -0.173 43.990 45.100 -1.561 0.000 0.789 266 G HN 0.457 nan 8.290 nan 0.000 0.535 267 M N 1.376 120.508 119.600 -0.780 0.000 2.286 267 M HA 0.360 4.840 4.480 -0.000 0.000 0.365 267 M C 1.461 177.433 176.300 -0.547 0.000 1.443 267 M CA 0.802 55.781 55.300 -0.534 0.000 0.951 267 M CB 0.160 32.561 32.600 -0.333 0.000 1.961 267 M HN 0.484 nan 8.290 nan 0.000 0.468 268 G N 4.141 112.675 108.800 -0.443 0.000 2.232 268 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 268 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 268 G C 0.690 175.354 174.900 -0.394 0.000 0.996 268 G CA 0.309 45.209 45.100 -0.333 0.000 0.626 268 G HN 0.650 nan 8.290 nan 0.000 0.509 269 K N -0.060 119.923 120.400 -0.695 0.000 2.455 269 K HA 0.435 4.755 4.320 -0.000 0.000 0.206 269 K C -0.218 176.097 176.600 -0.475 0.000 1.027 269 K CA -0.410 55.526 56.287 -0.585 0.000 1.113 269 K CB 0.372 32.453 32.500 -0.699 0.000 0.850 269 K HN 0.253 nan 8.250 nan 0.000 0.503 270 F N 0.473 120.349 119.950 -0.122 0.000 2.380 270 F HA 0.217 4.744 4.527 -0.000 0.000 0.321 270 F C 0.987 176.857 175.800 0.117 0.000 1.103 270 F CA -1.773 56.222 58.000 -0.008 0.000 1.067 270 F CB 0.364 39.358 39.000 -0.010 0.000 1.265 270 F HN -0.107 nan 8.300 nan 0.000 0.517 271 C N 1.510 121.077 119.300 0.446 0.000 2.676 271 C HA 0.301 4.761 4.460 -0.000 0.000 0.416 271 C C 0.447 175.601 174.990 0.273 0.000 1.299 271 C CA -0.562 58.678 59.018 0.369 0.000 2.048 271 C CB -0.726 27.284 27.740 0.450 0.000 2.713 271 C HN 0.714 nan 8.230 nan 0.000 0.624 272 E N 0.900 121.196 120.200 0.160 0.000 2.370 272 E HA 0.729 5.079 4.350 -0.000 0.000 0.259 272 E C -0.724 175.880 176.600 0.006 0.000 0.947 272 E CA -0.671 55.801 56.400 0.120 0.000 0.809 272 E CB 1.452 31.232 29.700 0.133 0.000 1.300 272 E HN 0.683 nan 8.360 nan 0.000 0.419 273 I N -2.137 118.436 120.570 0.005 0.000 2.910 273 I HA 0.394 4.564 4.170 -0.000 0.000 0.310 273 I C 1.041 177.125 176.117 -0.055 0.000 1.043 273 I CA -0.881 60.378 61.300 -0.068 0.000 1.053 273 I CB 1.450 39.427 38.000 -0.039 0.000 1.242 273 I HN 0.333 nan 8.210 nan 0.000 0.452 274 E N 1.979 122.132 120.200 -0.079 0.000 2.113 274 E HA -0.257 4.093 4.350 -0.000 0.000 0.210 274 E C 2.044 178.624 176.600 -0.033 0.000 1.040 274 E CA 2.525 58.887 56.400 -0.064 0.000 0.847 274 E CB -0.303 29.359 29.700 -0.063 0.000 0.755 274 E HN 0.866 nan 8.360 nan 0.000 0.459 275 S N -1.395 114.292 115.700 -0.021 0.000 2.595 275 S HA 0.089 4.559 4.470 -0.000 0.000 0.235 275 S C 1.553 176.158 174.600 0.008 0.000 0.974 275 S CA 1.032 59.228 58.200 -0.007 0.000 0.942 275 S CB 0.270 63.467 63.200 -0.006 0.000 0.766 275 S HN 0.442 nan 8.310 nan 0.000 0.536 276 G N 0.238 109.049 108.800 0.018 0.000 2.232 276 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 276 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 276 G C -0.125 174.804 174.900 0.048 0.000 0.996 276 G CA -0.054 45.070 45.100 0.039 0.000 0.626 276 G HN 0.577 nan 8.290 nan 0.000 0.509 277 E N 0.433 120.658 120.200 0.042 0.000 2.376 277 E HA 0.680 5.030 4.350 -0.000 0.000 0.254 277 E C 1.002 177.647 176.600 0.075 0.000 1.213 277 E CA -0.565 55.864 56.400 0.050 0.000 0.945 277 E CB 0.689 30.412 29.700 0.038 0.000 1.057 277 E HN 0.354 nan 8.360 nan 0.000 0.479 278 L N 1.193 122.464 121.223 0.080 0.000 2.452 278 L HA 0.152 4.492 4.340 -0.000 0.000 0.267 278 L C 0.060 177.001 176.870 0.119 0.000 1.188 278 L CA -0.432 54.473 54.840 0.108 0.000 0.821 278 L CB 0.176 42.285 42.059 0.084 0.000 1.102 278 L HN 0.461 nan 8.230 nan 0.000 0.470 279 F N 3.163 123.094 119.950 -0.032 0.000 2.404 279 F HA 0.358 4.885 4.527 -0.000 0.000 0.359 279 F C -0.372 175.366 175.800 -0.103 0.000 1.134 279 F CA -0.793 57.147 58.000 -0.099 0.000 1.160 279 F CB 0.430 39.327 39.000 -0.172 0.000 1.186 279 F HN -0.049 nan 8.300 nan 0.000 0.526 280 V N 7.266 126.940 119.914 -0.400 0.000 2.370 280 V HA 0.724 4.844 4.120 -0.000 0.000 0.279 280 V C 0.548 176.232 176.094 -0.683 0.000 1.029 280 V CA 0.005 61.991 62.300 -0.524 0.000 0.870 280 V CB 0.538 32.201 31.823 -0.266 0.000 0.984 280 V HN 0.975 nan 8.190 nan 0.000 0.451 281 G N 4.377 112.718 108.800 -0.766 0.000 3.257 281 G HA2 0.664 4.624 3.960 -0.000 0.000 0.205 281 G HA3 0.664 4.624 3.960 -0.000 0.000 0.205 281 G C -1.065 173.670 174.900 -0.274 0.000 1.234 281 G CA -0.596 44.202 45.100 -0.503 0.000 0.918 281 G HN 0.426 nan 8.290 nan 0.000 0.602 282 K N -0.008 120.320 120.400 -0.120 0.000 2.482 282 K HA 0.639 4.959 4.320 -0.000 0.000 0.251 282 K C -0.984 175.635 176.600 0.032 0.000 0.936 282 K CA -0.576 55.681 56.287 -0.050 0.000 0.791 282 K CB 2.236 34.749 32.500 0.023 0.000 1.213 282 K HN 0.377 nan 8.250 nan 0.000 0.428 283 M N 0.391 119.977 119.600 -0.023 0.000 3.385 283 M HA 0.250 4.730 4.480 -0.000 0.000 0.286 283 M C 0.260 176.554 176.300 -0.010 0.000 1.381 283 M CA -0.619 54.640 55.300 -0.069 0.000 0.813 283 M CB 0.816 33.302 32.600 -0.189 0.000 1.731 283 M HN 0.686 nan 8.290 nan 0.000 0.460 284 W N 2.018 123.293 121.300 -0.042 0.000 2.290 284 W HA -0.184 4.476 4.660 -0.000 0.000 0.323 284 W C -0.616 175.753 176.519 -0.249 0.000 1.260 284 W CA 1.085 58.256 57.345 -0.290 0.000 1.266 284 W CB -1.568 27.663 29.460 -0.382 0.000 1.149 284 W HN 0.473 nan 8.180 nan 0.000 0.482 285 P HA 0.139 nan 4.420 nan 0.000 0.242 285 P C 0.797 178.083 177.300 -0.024 0.000 1.197 285 P CA 1.874 65.013 63.100 0.065 0.000 0.765 285 P CB 0.240 31.905 31.700 -0.059 0.000 0.936 286 G N -0.186 108.596 108.800 -0.030 0.000 2.513 286 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.227 286 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.227 286 G C -0.525 174.293 174.900 -0.137 0.000 1.176 286 G CA -0.314 44.748 45.100 -0.063 0.000 0.967 286 G HN 0.162 nan 8.290 nan 0.000 0.587 287 T N 2.029 116.481 114.554 -0.170 0.000 2.867 287 T HA 0.507 4.857 4.350 -0.000 0.000 0.297 287 T C 0.701 175.197 174.700 -0.341 0.000 0.989 287 T CA 1.392 63.351 62.100 -0.236 0.000 1.159 287 T CB 0.327 69.062 68.868 -0.222 0.000 0.928 287 T HN 1.579 nan 8.240 nan 0.000 0.538 288 T N -0.562 113.728 114.554 -0.440 0.000 2.864 288 T HA 0.740 5.090 4.350 -0.000 0.000 0.299 288 T C -0.380 173.832 174.700 -0.812 0.000 1.166 288 T CA -0.958 60.775 62.100 -0.613 0.000 1.007 288 T CB 1.307 69.763 68.868 -0.686 0.000 1.219 288 T HN 0.530 nan 8.240 nan 0.000 0.506 289 V N -0.853 118.547 119.914 -0.857 0.000 3.046 289 V HA 0.879 4.999 4.120 -0.000 0.000 0.316 289 V C -1.633 173.935 176.094 -0.876 0.000 1.104 289 V CA -1.390 60.423 62.300 -0.813 0.000 1.006 289 V CB 1.188 32.548 31.823 -0.771 0.000 1.058 289 V HN 0.982 nan 8.190 nan 0.000 0.440 290 Y N 0.101 120.326 120.300 -0.125 0.000 2.462 290 Y HA 0.695 5.245 4.550 -0.000 0.000 0.346 290 Y C -2.667 173.443 175.900 0.351 0.000 0.976 290 Y CA -2.754 55.440 58.100 0.155 0.000 1.044 290 Y CB 2.233 40.891 38.460 0.330 0.000 1.230 290 Y HN 0.435 nan 8.280 nan 0.000 0.455 291 P HA 0.008 nan 4.420 nan 0.000 0.271 291 P C -0.546 176.694 177.300 -0.099 0.000 1.216 291 P CA -0.083 63.027 63.100 0.018 0.000 0.771 291 P CB 0.635 32.009 31.700 -0.544 0.000 0.864 292 D N 2.949 123.374 120.400 0.042 0.000 2.517 292 D HA 0.087 4.727 4.640 -0.000 0.000 0.220 292 D C 0.332 176.635 176.300 0.005 0.000 1.158 292 D CA -0.281 53.878 54.000 0.265 0.000 0.992 292 D CB -0.643 40.397 40.800 0.399 0.000 1.058 292 D HN 0.133 nan 8.370 nan 0.000 0.516 293 F N 1.251 121.139 119.950 -0.102 0.000 2.529 293 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 293 F C 1.580 177.113 175.800 -0.445 0.000 1.114 293 F CA 0.420 58.214 58.000 -0.344 0.000 1.467 293 F CB -0.515 38.081 39.000 -0.673 0.000 1.096 293 F HN 0.342 nan 8.300 nan 0.000 0.586 294 F N -0.100 119.759 119.950 -0.152 0.000 2.502 294 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 294 F C 1.291 176.946 175.800 -0.241 0.000 1.111 294 F CA 0.441 58.163 58.000 -0.464 0.000 1.445 294 F CB -0.444 38.367 39.000 -0.316 0.000 1.081 294 F HN -0.285 nan 8.300 nan 0.000 0.558 295 R N 0.640 121.198 120.500 0.095 0.000 2.357 295 R HA 0.111 4.451 4.340 -0.000 0.000 0.296 295 R C 1.318 177.664 176.300 0.076 0.000 1.052 295 R CA -0.243 55.914 56.100 0.094 0.000 0.988 295 R CB 0.898 31.257 30.300 0.098 0.000 1.025 295 R HN 0.146 nan 8.270 nan 0.000 0.469 296 E N 1.955 122.199 120.200 0.074 0.000 2.058 296 E HA -0.268 4.081 4.350 -0.000 0.000 0.194 296 E C 0.839 177.498 176.600 0.098 0.000 0.997 296 E CA 2.267 58.719 56.400 0.087 0.000 0.801 296 E CB 0.169 29.913 29.700 0.073 0.000 0.746 296 E HN 0.737 nan 8.360 nan 0.000 0.450 297 D N -0.983 119.459 120.400 0.070 0.000 2.178 297 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 297 D C 1.766 178.140 176.300 0.123 0.000 0.980 297 D CA 1.627 55.669 54.000 0.070 0.000 0.842 297 D CB -0.651 40.154 40.800 0.009 0.000 0.948 297 D HN 0.050 nan 8.370 nan 0.000 0.472 298 T N -0.209 114.410 114.554 0.108 0.000 2.777 298 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 298 T C 1.911 176.840 174.700 0.382 0.000 1.040 298 T CA 1.235 63.442 62.100 0.177 0.000 1.141 298 T CB -0.203 68.687 68.868 0.037 0.000 0.868 298 T HN 0.086 nan 8.240 nan 0.000 0.444 299 R N 0.831 121.512 120.500 0.303 0.000 2.096 299 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 299 R C 2.473 178.965 176.300 0.321 0.000 1.127 299 R CA 1.333 57.640 56.100 0.346 0.000 0.968 299 R CB -0.081 30.357 30.300 0.229 0.000 0.861 299 R HN 0.545 nan 8.270 nan 0.000 0.440 300 E N -1.168 119.182 120.200 0.250 0.000 2.047 300 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 300 E C 1.585 178.315 176.600 0.217 0.000 0.987 300 E CA 1.232 57.746 56.400 0.191 0.000 0.799 300 E CB -0.260 29.527 29.700 0.144 0.000 0.752 300 E HN 0.408 nan 8.360 nan 0.000 0.449 301 W N 1.562 122.917 121.300 0.091 0.000 2.335 301 W HA -0.233 4.427 4.660 -0.000 0.000 0.311 301 W C 2.019 178.619 176.519 0.134 0.000 1.213 301 W CA 1.498 58.884 57.345 0.068 0.000 1.274 301 W CB -0.484 28.995 29.460 0.033 0.000 1.148 301 W HN 0.212 nan 8.180 nan 0.000 0.498 302 W N 1.207 122.486 121.300 -0.036 0.000 2.355 302 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 302 W C 2.158 178.562 176.519 -0.193 0.000 1.206 302 W CA 2.725 59.936 57.345 -0.224 0.000 1.284 302 W CB -0.927 28.707 29.460 0.291 0.000 1.145 302 W HN 0.042 nan 8.180 nan 0.000 0.502 303 A N 1.119 123.991 122.820 0.087 0.000 1.940 303 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 303 A C 2.252 179.710 177.584 -0.210 0.000 1.176 303 A CA 2.362 54.379 52.037 -0.033 0.000 0.631 303 A CB -1.589 17.447 19.000 0.061 0.000 0.814 303 A HN 0.383 nan 8.150 nan 0.000 0.446 304 G N -0.235 108.426 108.800 -0.230 0.000 2.421 304 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 304 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 304 G C 1.549 176.184 174.900 -0.442 0.000 1.171 304 G CA 1.018 45.953 45.100 -0.275 0.000 0.775 304 G HN 0.445 nan 8.290 nan 0.000 0.543 305 L N 0.335 121.127 121.223 -0.717 0.000 2.056 305 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 305 L C 2.820 179.099 176.870 -0.984 0.000 1.078 305 L CA 0.353 54.580 54.840 -1.022 0.000 0.749 305 L CB -0.382 40.740 42.059 -1.561 0.000 0.901 305 L HN 0.109 nan 8.230 nan 0.000 0.433 306 I N -0.489 119.579 120.570 -0.838 0.000 2.142 306 I HA -0.295 3.874 4.170 -0.000 0.000 0.240 306 I C 2.815 178.754 176.117 -0.298 0.000 1.078 306 I CA 1.478 62.483 61.300 -0.491 0.000 1.343 306 I CB -1.082 36.694 38.000 -0.373 0.000 1.046 306 I HN 0.234 nan 8.210 nan 0.000 0.405 307 S N 0.176 115.692 115.700 -0.307 0.000 2.365 307 S HA -0.280 4.190 4.470 -0.000 0.000 0.225 307 S C 2.051 176.530 174.600 -0.202 0.000 1.039 307 S CA 2.013 60.062 58.200 -0.251 0.000 1.033 307 S CB -0.263 62.808 63.200 -0.215 0.000 0.887 307 S HN 0.473 nan 8.310 nan 0.000 0.447 308 E N -0.571 119.502 120.200 -0.210 0.000 2.110 308 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 308 E C 1.929 178.489 176.600 -0.066 0.000 0.988 308 E CA 1.150 57.463 56.400 -0.146 0.000 0.804 308 E CB -0.358 29.233 29.700 -0.181 0.000 0.745 308 E HN 0.819 nan 8.360 nan 0.000 0.458 309 W N 0.912 122.042 121.300 -0.282 0.000 2.388 309 W HA -0.141 4.519 4.660 -0.000 0.000 0.294 309 W C 1.637 178.099 176.519 -0.094 0.000 1.212 309 W CA 0.707 57.964 57.345 -0.146 0.000 1.271 309 W CB -0.054 29.338 29.460 -0.114 0.000 1.126 309 W HN 0.114 nan 8.180 nan 0.000 0.535 310 L N 1.303 122.453 121.223 -0.122 0.000 2.201 310 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 310 L C 2.798 179.554 176.870 -0.191 0.000 1.105 310 L CA 1.580 56.289 54.840 -0.218 0.000 0.775 310 L CB -0.940 40.917 42.059 -0.337 0.000 0.913 310 L HN -0.035 nan 8.230 nan 0.000 0.440 311 S N -0.378 115.225 115.700 -0.161 0.000 2.469 311 S HA -0.226 4.243 4.470 -0.000 0.000 0.238 311 S C 1.673 176.204 174.600 -0.116 0.000 0.998 311 S CA 0.895 59.025 58.200 -0.116 0.000 0.957 311 S CB -0.328 62.817 63.200 -0.092 0.000 0.764 311 S HN 0.579 nan 8.310 nan 0.000 0.514 312 Q N 0.574 120.269 119.800 -0.175 0.000 2.435 312 Q HA 0.334 4.674 4.340 -0.000 0.000 0.207 312 Q C 1.495 177.413 176.000 -0.137 0.000 0.956 312 Q CA 0.473 56.175 55.803 -0.168 0.000 0.917 312 Q CB -0.226 28.367 28.738 -0.242 0.000 0.997 312 Q HN 0.754 nan 8.270 nan 0.000 0.497 313 G N 0.047 108.778 108.800 -0.115 0.000 2.183 313 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.168 313 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.168 313 G C -0.002 174.888 174.900 -0.016 0.000 1.008 313 G CA -0.364 44.733 45.100 -0.004 0.000 0.677 313 G HN 0.144 nan 8.290 nan 0.000 0.498 314 V N 1.891 121.724 119.914 -0.134 0.000 2.585 314 V HA 0.181 4.301 4.120 -0.000 0.000 0.296 314 V C 1.164 177.272 176.094 0.024 0.000 1.035 314 V CA 0.900 63.139 62.300 -0.102 0.000 1.084 314 V CB 1.238 32.937 31.823 -0.206 0.000 0.953 314 V HN 0.346 nan 8.190 nan 0.000 0.483 315 D N 3.170 123.622 120.400 0.087 0.000 2.327 315 D HA 0.168 4.808 4.640 -0.000 0.000 0.205 315 D C 0.729 177.323 176.300 0.490 0.000 0.989 315 D CA 0.942 55.072 54.000 0.217 0.000 0.873 315 D CB 0.992 41.797 40.800 0.008 0.000 0.955 315 D HN 0.696 nan 8.370 nan 0.000 0.515 316 G N 0.231 109.296 108.800 0.441 0.000 2.704 316 G HA2 0.504 4.463 3.960 -0.000 0.000 0.293 316 G HA3 0.504 4.463 3.960 -0.000 0.000 0.293 316 G C -1.398 173.833 174.900 0.550 0.000 1.421 316 G CA -0.485 45.027 45.100 0.686 0.000 0.870 316 G HN -0.120 nan 8.290 nan 0.000 0.492 317 I N 0.530 121.451 120.570 0.584 0.000 2.433 317 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 317 I C -1.286 175.088 176.117 0.427 0.000 1.001 317 I CA -0.957 60.625 61.300 0.471 0.000 1.119 317 I CB 1.810 40.100 38.000 0.483 0.000 1.289 317 I HN 0.614 nan 8.210 nan 0.000 0.438 318 W N 8.708 130.141 121.300 0.222 0.000 2.299 318 W HA 0.514 5.174 4.660 -0.000 0.000 0.319 318 W C -1.524 175.110 176.519 0.191 0.000 1.008 318 W CA -1.372 56.092 57.345 0.198 0.000 1.384 318 W CB 0.609 30.226 29.460 0.263 0.000 1.220 318 W HN 0.296 nan 8.180 nan 0.000 0.402 319 L N 6.811 128.279 121.223 0.408 0.000 2.278 319 L HA 0.227 4.567 4.340 -0.000 0.000 0.287 319 L C 0.136 177.126 176.870 0.199 0.000 1.072 319 L CA 0.053 55.029 54.840 0.225 0.000 0.819 319 L CB 0.570 42.738 42.059 0.183 0.000 1.176 319 L HN 0.320 nan 8.230 nan 0.000 0.435 320 D N 3.605 124.020 120.400 0.025 0.000 2.423 320 D HA 0.475 5.115 4.640 -0.000 0.000 0.235 320 D C 0.464 176.771 176.300 0.011 0.000 1.011 320 D CA -0.307 53.722 54.000 0.049 0.000 0.963 320 D CB 1.277 41.983 40.800 -0.156 0.000 1.349 320 D HN 0.369 nan 8.370 nan 0.000 0.508 321 M N 0.709 120.305 119.600 -0.006 0.000 2.811 321 M HA -0.235 4.245 4.480 -0.000 0.000 0.183 321 M C 0.088 176.118 176.300 -0.451 0.000 0.618 321 M CA 0.537 55.766 55.300 -0.118 0.000 0.633 321 M CB -2.930 29.657 32.600 -0.022 0.000 2.305 321 M HN 0.616 nan 8.290 nan 0.000 0.472 322 N N 0.368 118.869 118.700 -0.332 0.000 2.410 322 N HA 0.142 4.882 4.740 -0.000 0.000 0.231 322 N C 0.729 176.107 175.510 -0.219 0.000 1.172 322 N CA 0.217 53.049 53.050 -0.364 0.000 0.849 322 N CB 0.101 38.506 38.487 -0.136 0.000 1.116 322 N HN 0.301 nan 8.380 nan 0.000 0.485 323 E N 0.751 120.786 120.200 -0.274 0.000 2.110 323 E HA 0.010 4.360 4.350 -0.000 0.000 0.193 323 E C -1.658 174.758 176.600 -0.306 0.000 0.988 323 E CA 0.829 57.102 56.400 -0.212 0.000 0.804 323 E CB -1.057 28.534 29.700 -0.182 0.000 0.745 323 E HN 0.597 nan 8.360 nan 0.000 0.458 324 P HA 0.133 nan 4.420 nan 0.000 0.286 324 P C -0.677 176.242 177.300 -0.635 0.000 1.261 324 P CA -0.026 62.590 63.100 -0.807 0.000 0.821 324 P CB 1.698 32.508 31.700 -1.483 0.000 1.013 325 T N 1.683 116.024 114.554 -0.354 0.000 2.902 325 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 325 T C -0.722 173.876 174.700 -0.170 0.000 1.009 325 T CA 0.094 62.025 62.100 -0.282 0.000 1.051 325 T CB 0.787 69.436 68.868 -0.364 0.000 0.999 325 T HN 0.463 nan 8.240 nan 0.000 0.474 326 D N -0.081 120.123 120.400 -0.326 0.000 2.859 326 D HA 0.418 5.058 4.640 -0.000 0.000 0.223 326 D C -0.842 175.194 176.300 -0.440 0.000 1.218 326 D CA -0.586 53.264 54.000 -0.249 0.000 0.850 326 D CB 0.930 41.742 40.800 0.020 0.000 1.656 326 D HN 0.338 nan 8.370 nan 0.000 0.484 327 F N 1.284 121.230 119.950 -0.006 0.000 2.661 327 F HA 0.140 4.667 4.527 -0.000 0.000 0.306 327 F C 2.295 178.085 175.800 -0.016 0.000 1.094 327 F CA 0.001 57.990 58.000 -0.019 0.000 1.254 327 F CB 0.134 39.105 39.000 -0.049 0.000 1.040 327 F HN 0.386 nan 8.300 nan 0.000 0.562 328 S N -0.084 115.681 115.700 0.109 0.000 2.382 328 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 328 S C 2.189 176.821 174.600 0.053 0.000 1.027 328 S CA 1.025 59.260 58.200 0.060 0.000 0.991 328 S CB -0.282 62.929 63.200 0.018 0.000 0.823 328 S HN 0.293 nan 8.310 nan 0.000 0.469 329 R N 1.687 122.221 120.500 0.056 0.000 2.066 329 R HA 0.206 4.545 4.340 -0.000 0.000 0.232 329 R C 2.730 179.042 176.300 0.020 0.000 1.131 329 R CA 1.403 57.522 56.100 0.032 0.000 0.955 329 R CB -1.036 29.280 30.300 0.028 0.000 0.851 329 R HN 0.549 nan 8.270 nan 0.000 0.432 330 A N 0.534 123.391 122.820 0.060 0.000 1.883 330 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 330 A C 2.174 179.750 177.584 -0.013 0.000 1.186 330 A CA 1.492 53.550 52.037 0.034 0.000 0.624 330 A CB -0.628 18.460 19.000 0.147 0.000 0.822 330 A HN 0.278 nan 8.150 nan 0.000 0.444 331 I N -0.763 119.827 120.570 0.033 0.000 2.361 331 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 331 I C 2.539 178.646 176.117 -0.016 0.000 1.133 331 I CA 1.666 62.970 61.300 0.007 0.000 1.413 331 I CB -0.270 37.748 38.000 0.031 0.000 1.073 331 I HN 0.553 nan 8.210 nan 0.000 0.424 332 E N 1.491 121.684 120.200 -0.013 0.000 2.077 332 E HA -0.223 4.126 4.350 -0.000 0.000 0.193 332 E C 2.304 178.879 176.600 -0.042 0.000 0.989 332 E CA 1.327 57.716 56.400 -0.018 0.000 0.800 332 E CB 0.015 29.709 29.700 -0.010 0.000 0.746 332 E HN 0.447 nan 8.360 nan 0.000 0.452 333 I N 0.740 121.260 120.570 -0.084 0.000 2.252 333 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 333 I C 2.838 178.839 176.117 -0.193 0.000 1.102 333 I CA 0.838 62.046 61.300 -0.153 0.000 1.385 333 I CB -0.342 37.505 38.000 -0.257 0.000 1.064 333 I HN 0.110 nan 8.210 nan 0.000 0.414 334 R N 1.040 121.423 120.500 -0.196 0.000 2.152 334 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 334 R C 1.364 177.671 176.300 0.012 0.000 1.117 334 R CA 1.640 57.673 56.100 -0.111 0.000 0.981 334 R CB -0.324 29.935 30.300 -0.068 0.000 0.870 334 R HN 0.353 nan 8.270 nan 0.000 0.451 335 D N -0.268 120.131 120.400 -0.001 0.000 2.162 335 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 335 D C 1.934 178.255 176.300 0.035 0.000 0.967 335 D CA 0.856 54.869 54.000 0.021 0.000 0.840 335 D CB 0.050 40.855 40.800 0.009 0.000 0.972 335 D HN 0.049 nan 8.370 nan 0.000 0.482 336 V N 0.699 120.630 119.914 0.028 0.000 2.488 336 V HA -0.077 4.043 4.120 -0.000 0.000 0.246 336 V C 1.994 178.134 176.094 0.078 0.000 1.046 336 V CA 1.064 63.389 62.300 0.041 0.000 1.053 336 V CB -0.107 31.733 31.823 0.027 0.000 0.679 336 V HN 0.169 nan 8.190 nan 0.000 0.458 337 L N 0.158 121.458 121.223 0.127 0.000 2.857 337 L HA 0.157 4.497 4.340 -0.000 0.000 0.249 337 L C 2.274 179.321 176.870 0.295 0.000 1.172 337 L CA 0.432 55.407 54.840 0.225 0.000 0.980 337 L CB -0.028 42.252 42.059 0.368 0.000 1.299 337 L HN 0.377 nan 8.230 nan 0.000 0.535 338 S N 0.309 116.142 115.700 0.222 0.000 2.368 338 S HA -0.280 4.190 4.470 -0.000 0.000 0.226 338 S C 2.216 176.888 174.600 0.119 0.000 1.044 338 S CA 1.873 60.194 58.200 0.201 0.000 1.062 338 S CB -0.820 62.452 63.200 0.120 0.000 0.931 338 S HN 0.574 nan 8.310 nan 0.000 0.440 339 S N 2.592 118.340 115.700 0.080 0.000 2.383 339 S HA 0.036 4.506 4.470 -0.000 0.000 0.229 339 S C 0.975 175.586 174.600 0.018 0.000 1.030 339 S CA 0.399 58.624 58.200 0.042 0.000 1.002 339 S CB -1.015 62.207 63.200 0.037 0.000 0.829 339 S HN 0.402 nan 8.310 nan 0.000 0.467 340 L N 3.640 124.875 121.223 0.019 0.000 2.540 340 L HA 0.107 4.447 4.340 -0.000 0.000 0.276 340 L C -1.097 175.726 176.870 -0.077 0.000 1.212 340 L CA -0.694 54.133 54.840 -0.021 0.000 0.893 340 L CB -0.436 41.615 42.059 -0.013 0.000 1.138 340 L HN 0.230 nan 8.230 nan 0.000 0.491 341 P HA -0.021 nan 4.420 nan 0.000 0.247 341 P C 0.391 177.616 177.300 -0.126 0.000 1.225 341 P CA 0.177 63.228 63.100 -0.081 0.000 0.768 341 P CB 0.317 31.988 31.700 -0.048 0.000 1.020 342 V N 0.837 120.649 119.914 -0.170 0.000 2.732 342 V HA 0.106 4.226 4.120 -0.000 0.000 0.297 342 V C 0.787 176.638 176.094 -0.406 0.000 1.060 342 V CA -0.289 61.883 62.300 -0.213 0.000 1.038 342 V CB 1.153 32.882 31.823 -0.157 0.000 1.003 342 V HN 0.108 nan 8.190 nan 0.000 0.481 343 Q N 1.731 121.347 119.800 -0.307 0.000 2.230 343 Q HA 0.445 4.785 4.340 -0.000 0.000 0.248 343 Q C -1.535 174.286 176.000 -0.298 0.000 0.915 343 Q CA -0.517 55.085 55.803 -0.335 0.000 0.900 343 Q CB 1.067 29.725 28.738 -0.133 0.000 1.229 343 Q HN 0.562 nan 8.270 nan 0.000 0.439 344 F N 1.727 121.690 119.950 0.021 0.000 2.425 344 F HA 0.406 4.933 4.527 -0.000 0.000 0.331 344 F C 0.407 176.222 175.800 0.024 0.000 1.085 344 F CA -0.856 57.159 58.000 0.025 0.000 1.028 344 F CB 0.930 39.949 39.000 0.031 0.000 1.177 344 F HN 0.499 nan 8.300 nan 0.000 0.487 345 R N 0.734 121.374 120.500 0.234 0.000 2.490 345 R HA 0.275 4.615 4.340 -0.000 0.000 0.278 345 R C -0.757 175.619 176.300 0.127 0.000 1.069 345 R CA -0.691 55.490 56.100 0.134 0.000 1.080 345 R CB 0.809 31.168 30.300 0.098 0.000 1.030 345 R HN 0.548 nan 8.270 nan 0.000 0.491 346 D N 1.950 122.406 120.400 0.094 0.000 2.524 346 D HA 0.035 4.675 4.640 -0.000 0.000 0.222 346 D C -1.094 175.249 176.300 0.071 0.000 1.142 346 D CA -0.291 53.760 54.000 0.085 0.000 0.973 346 D CB 0.384 41.227 40.800 0.072 0.000 1.025 346 D HN 0.512 nan 8.370 nan 0.000 0.519 347 D N 2.287 122.728 120.400 0.067 0.000 2.411 347 D HA 0.087 4.727 4.640 -0.000 0.000 0.225 347 D C 1.326 177.663 176.300 0.063 0.000 1.156 347 D CA -0.418 53.616 54.000 0.058 0.000 0.874 347 D CB 0.672 41.500 40.800 0.047 0.000 1.034 347 D HN 0.077 nan 8.370 nan 0.000 0.502 348 R N 3.057 123.596 120.500 0.065 0.000 2.152 348 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 348 R C 1.666 178.003 176.300 0.063 0.000 1.117 348 R CA 0.543 56.683 56.100 0.067 0.000 0.981 348 R CB -0.336 29.995 30.300 0.052 0.000 0.870 348 R HN 0.588 nan 8.270 nan 0.000 0.451 349 L N 0.416 121.680 121.223 0.068 0.000 2.349 349 L HA -0.110 4.230 4.340 -0.000 0.000 0.220 349 L C 2.356 179.270 176.870 0.074 0.000 1.130 349 L CA 0.483 55.376 54.840 0.089 0.000 0.791 349 L CB -0.414 41.696 42.059 0.086 0.000 0.918 349 L HN -0.008 nan 8.230 nan 0.000 0.444 350 V N 0.053 120.001 119.914 0.057 0.000 2.913 350 V HA -0.193 3.927 4.120 -0.000 0.000 0.260 350 V C 2.365 178.483 176.094 0.039 0.000 1.098 350 V CA 2.118 64.446 62.300 0.047 0.000 1.121 350 V CB -0.315 31.532 31.823 0.041 0.000 0.714 350 V HN 0.710 nan 8.190 nan 0.000 0.487 351 T N -2.097 112.471 114.554 0.025 0.000 3.129 351 T HA 0.063 4.413 4.350 -0.000 0.000 0.251 351 T C 0.852 175.491 174.700 -0.102 0.000 1.117 351 T CA 0.539 62.597 62.100 -0.070 0.000 1.034 351 T CB -0.705 68.108 68.868 -0.091 0.000 0.968 351 T HN 0.659 nan 8.240 nan 0.000 0.526 352 T N -0.356 114.190 114.554 -0.014 0.000 2.824 352 T HA 0.556 4.906 4.350 -0.000 0.000 0.277 352 T C -0.079 174.676 174.700 0.092 0.000 0.975 352 T CA -0.905 61.191 62.100 -0.007 0.000 0.966 352 T CB 0.232 69.135 68.868 0.058 0.000 1.054 352 T HN 0.010 nan 8.240 nan 0.000 0.533 353 F N 2.005 121.801 119.950 -0.257 0.000 2.506 353 F HA 0.359 4.886 4.527 -0.000 0.000 0.351 353 F C -1.652 173.960 175.800 -0.315 0.000 1.136 353 F CA -2.045 55.687 58.000 -0.447 0.000 1.298 353 F CB -0.662 37.724 39.000 -1.023 0.000 1.145 353 F HN 0.433 nan 8.300 nan 0.000 0.593 354 P HA 0.025 nan 4.420 nan 0.000 0.271 354 P C 0.447 177.661 177.300 -0.144 0.000 1.244 354 P CA -0.034 62.958 63.100 -0.179 0.000 0.793 354 P CB 0.641 32.194 31.700 -0.245 0.000 0.984 355 D N 0.203 120.560 120.400 -0.072 0.000 2.277 355 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 355 D C 0.999 177.252 176.300 -0.078 0.000 0.962 355 D CA 0.915 54.895 54.000 -0.033 0.000 0.865 355 D CB -0.251 40.539 40.800 -0.017 0.000 0.939 355 D HN 0.456 nan 8.370 nan 0.000 0.510 356 N N 0.609 119.229 118.700 -0.134 0.000 2.383 356 N HA -0.046 4.694 4.740 -0.000 0.000 0.192 356 N C 0.220 175.606 175.510 -0.206 0.000 1.141 356 N CA 0.002 52.969 53.050 -0.138 0.000 0.851 356 N CB 0.045 38.466 38.487 -0.109 0.000 0.976 356 N HN -0.109 nan 8.380 nan 0.000 0.465 357 V N 1.604 121.337 119.914 -0.303 0.000 2.583 357 V HA 0.267 4.387 4.120 -0.000 0.000 0.287 357 V C 0.511 176.436 176.094 -0.282 0.000 1.051 357 V CA -0.754 61.300 62.300 -0.411 0.000 1.010 357 V CB 1.255 32.654 31.823 -0.707 0.000 0.988 357 V HN 0.244 nan 8.190 nan 0.000 0.478 358 V N 2.588 122.302 119.914 -0.333 0.000 3.001 358 V HA 0.746 4.866 4.120 -0.000 0.000 0.314 358 V C -0.722 175.082 176.094 -0.484 0.000 1.099 358 V CA -0.644 61.451 62.300 -0.341 0.000 0.989 358 V CB 2.290 33.952 31.823 -0.269 0.000 1.040 358 V HN 0.854 nan 8.190 nan 0.000 0.434 359 H N 0.873 119.859 119.070 -0.140 0.000 2.907 359 H HA 0.546 5.102 4.556 -0.000 0.000 0.361 359 H C -1.830 173.315 175.328 -0.306 0.000 1.194 359 H CA -0.468 55.546 56.048 -0.057 0.000 1.152 359 H CB 2.213 31.963 29.762 -0.020 0.000 1.867 359 H HN 0.778 nan 8.280 nan 0.000 0.561 360 Y N 1.237 121.647 120.300 0.184 0.000 2.464 360 Y HA 0.213 4.763 4.550 -0.000 0.000 0.326 360 Y C -0.366 175.593 175.900 0.099 0.000 0.969 360 Y CA -0.652 57.507 58.100 0.098 0.000 1.270 360 Y CB 1.069 39.576 38.460 0.079 0.000 1.103 360 Y HN 0.215 nan 8.280 nan 0.000 0.491 361 L N 4.814 126.129 121.223 0.153 0.000 2.287 361 L HA 0.532 4.872 4.340 -0.000 0.000 0.287 361 L C 0.370 177.396 176.870 0.260 0.000 1.022 361 L CA -0.566 54.359 54.840 0.141 0.000 0.814 361 L CB 0.558 42.650 42.059 0.054 0.000 1.217 361 L HN 0.679 nan 8.230 nan 0.000 0.420 362 R N 4.424 125.025 120.500 0.169 0.000 3.322 362 R HA -0.235 4.105 4.340 -0.000 0.000 0.253 362 R C 1.046 177.481 176.300 0.226 0.000 0.987 362 R CA 0.671 56.875 56.100 0.173 0.000 0.666 362 R CB -2.086 28.289 30.300 0.126 0.000 1.072 362 R HN 1.258 nan 8.270 nan 0.000 0.447 363 G N -0.346 108.576 108.800 0.203 0.000 2.245 363 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.264 363 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.264 363 G C 0.122 175.150 174.900 0.214 0.000 0.985 363 G CA 0.865 46.078 45.100 0.188 0.000 0.625 363 G HN 0.464 nan 8.290 nan 0.000 0.536 364 K N 0.430 120.945 120.400 0.191 0.000 2.138 364 K HA 0.583 4.902 4.320 -0.000 0.000 0.263 364 K C 0.298 176.860 176.600 -0.062 0.000 0.965 364 K CA -0.986 55.307 56.287 0.011 0.000 0.868 364 K CB 0.706 33.036 32.500 -0.284 0.000 1.083 364 K HN 0.179 nan 8.250 nan 0.000 0.443 365 R N 3.229 123.616 120.500 -0.189 0.000 2.267 365 R HA 0.199 4.539 4.340 -0.000 0.000 0.319 365 R C -0.670 175.444 176.300 -0.311 0.000 1.067 365 R CA -0.452 55.385 56.100 -0.439 0.000 0.936 365 R CB 0.485 30.542 30.300 -0.404 0.000 1.006 365 R HN 0.467 nan 8.270 nan 0.000 0.452 366 V N 0.428 120.172 119.914 -0.284 0.000 2.914 366 V HA 0.541 4.661 4.120 -0.000 0.000 0.314 366 V C -0.616 175.388 176.094 -0.149 0.000 1.084 366 V CA -1.301 60.885 62.300 -0.191 0.000 0.963 366 V CB 2.012 33.752 31.823 -0.137 0.000 1.025 366 V HN 0.648 nan 8.190 nan 0.000 0.432 367 K N 0.789 121.127 120.400 -0.102 0.000 2.326 367 K HA 0.211 4.531 4.320 -0.000 0.000 0.275 367 K C 0.923 177.533 176.600 0.017 0.000 1.018 367 K CA -0.096 56.157 56.287 -0.055 0.000 0.962 367 K CB 0.704 33.178 32.500 -0.043 0.000 0.953 367 K HN 0.975 nan 8.250 nan 0.000 0.475 368 H N 2.944 122.008 119.070 -0.009 0.000 2.387 368 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 368 H C 1.509 176.897 175.328 0.100 0.000 1.099 368 H CA 2.460 58.585 56.048 0.128 0.000 1.315 368 H CB 0.344 30.168 29.762 0.103 0.000 1.380 368 H HN 0.759 nan 8.280 nan 0.000 0.513 369 E N -0.175 120.054 120.200 0.049 0.000 2.338 369 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 369 E C 1.510 178.128 176.600 0.029 0.000 1.007 369 E CA 0.776 57.224 56.400 0.080 0.000 0.849 369 E CB 0.066 29.832 29.700 0.110 0.000 0.774 369 E HN 0.314 nan 8.360 nan 0.000 0.506 370 K N 0.936 121.320 120.400 -0.027 0.000 2.243 370 K HA 0.013 4.333 4.320 -0.000 0.000 0.201 370 K C 1.978 178.542 176.600 -0.060 0.000 1.051 370 K CA 1.231 57.504 56.287 -0.024 0.000 0.970 370 K CB 0.800 33.285 32.500 -0.026 0.000 0.755 370 K HN 0.316 nan 8.250 nan 0.000 0.465 371 V N -2.367 117.458 119.914 -0.149 0.000 3.330 371 V HA 0.268 4.388 4.120 -0.000 0.000 0.309 371 V C 1.874 177.872 176.094 -0.159 0.000 1.481 371 V CA -0.232 61.955 62.300 -0.187 0.000 1.068 371 V CB 0.239 31.818 31.823 -0.406 0.000 0.935 371 V HN 0.007 nan 8.190 nan 0.000 0.453 372 R N 1.976 122.269 120.500 -0.345 0.000 2.162 372 R HA -0.255 4.085 4.340 -0.000 0.000 0.245 372 R C 1.968 178.143 176.300 -0.209 0.000 1.129 372 R CA 2.834 58.620 56.100 -0.524 0.000 0.940 372 R CB -0.396 29.465 30.300 -0.732 0.000 0.875 372 R HN 0.627 nan 8.270 nan 0.000 0.437 373 N N 0.136 118.723 118.700 -0.189 0.000 2.348 373 N HA -0.145 4.594 4.740 -0.000 0.000 0.185 373 N C 1.240 176.698 175.510 -0.086 0.000 1.019 373 N CA 1.332 54.319 53.050 -0.104 0.000 0.880 373 N CB -0.222 38.271 38.487 0.010 0.000 0.965 373 N HN 0.416 nan 8.380 nan 0.000 0.437 374 A N -0.498 122.236 122.820 -0.144 0.000 2.208 374 A HA -0.018 4.301 4.320 -0.000 0.000 0.209 374 A C 1.841 179.477 177.584 0.088 0.000 1.161 374 A CA -0.120 51.890 52.037 -0.045 0.000 0.782 374 A CB -0.500 18.526 19.000 0.043 0.000 0.816 374 A HN 0.294 nan 8.150 nan 0.000 0.477 375 Y N 2.071 122.341 120.300 -0.050 0.000 2.081 375 Y HA -0.187 4.363 4.550 -0.000 0.000 0.280 375 Y C -0.401 175.369 175.900 -0.218 0.000 1.163 375 Y CA 2.862 60.817 58.100 -0.242 0.000 1.135 375 Y CB -0.662 37.718 38.460 -0.134 0.000 0.970 375 Y HN 0.321 nan 8.280 nan 0.000 0.498 376 P HA -0.193 nan 4.420 nan 0.000 0.218 376 P C 1.823 179.006 177.300 -0.194 0.000 1.149 376 P CA 1.388 64.417 63.100 -0.118 0.000 0.817 376 P CB -0.189 31.501 31.700 -0.016 0.000 0.785 377 L N -0.677 120.468 121.223 -0.128 0.000 2.017 377 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 377 L C 2.545 179.203 176.870 -0.352 0.000 1.073 377 L CA 1.913 56.664 54.840 -0.149 0.000 0.745 377 L CB -1.611 40.394 42.059 -0.091 0.000 0.894 377 L HN -0.194 nan 8.230 nan 0.000 0.432 378 Y N 0.003 120.085 120.300 -0.363 0.000 2.373 378 Y HA -0.153 4.397 4.550 -0.000 0.000 0.293 378 Y C 2.680 178.187 175.900 -0.655 0.000 1.129 378 Y CA 1.564 59.394 58.100 -0.451 0.000 1.226 378 Y CB -0.306 37.826 38.460 -0.546 0.000 1.000 378 Y HN 0.421 nan 8.280 nan 0.000 0.549 379 E N 0.131 119.821 120.200 -0.850 0.000 2.072 379 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 379 E C 2.335 178.516 176.600 -0.698 0.000 0.982 379 E CA 0.942 56.474 56.400 -1.446 0.000 0.803 379 E CB -0.126 28.655 29.700 -1.531 0.000 0.755 379 E HN 0.380 nan 8.360 nan 0.000 0.453 380 A N 1.477 124.039 122.820 -0.430 0.000 1.933 380 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 380 A C 2.229 179.563 177.584 -0.416 0.000 1.175 380 A CA 1.562 53.457 52.037 -0.237 0.000 0.628 380 A CB -0.617 18.337 19.000 -0.077 0.000 0.814 380 A HN 0.467 nan 8.150 nan 0.000 0.444 381 M N -0.249 118.920 119.600 -0.717 0.000 2.080 381 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 381 M C 2.250 178.315 176.300 -0.391 0.000 1.068 381 M CA 1.940 56.596 55.300 -1.073 0.000 1.109 381 M CB -0.250 31.917 32.600 -0.722 0.000 1.342 381 M HN 0.411 nan 8.290 nan 0.000 0.405 382 A N -0.702 122.013 122.820 -0.175 0.000 1.969 382 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 382 A C 2.006 179.748 177.584 0.265 0.000 1.169 382 A CA 2.087 54.189 52.037 0.107 0.000 0.635 382 A CB -1.072 18.059 19.000 0.219 0.000 0.810 382 A HN 0.603 nan 8.150 nan 0.000 0.445 383 T N -1.192 113.506 114.554 0.240 0.000 2.857 383 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 383 T C 1.573 176.473 174.700 0.334 0.000 1.048 383 T CA 1.261 63.576 62.100 0.357 0.000 1.139 383 T CB -0.331 68.759 68.868 0.371 0.000 0.874 383 T HN 0.458 nan 8.240 nan 0.000 0.455 384 F N 2.179 122.141 119.950 0.020 0.000 2.134 384 F HA 0.013 4.539 4.527 -0.000 0.000 0.299 384 F C 2.319 178.187 175.800 0.112 0.000 1.097 384 F CA 1.277 59.283 58.000 0.010 0.000 1.264 384 F CB -0.094 38.824 39.000 -0.137 0.000 1.001 384 F HN -0.058 nan 8.300 nan 0.000 0.479 385 K N -0.004 120.535 120.400 0.231 0.000 2.209 385 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 385 K C 2.226 178.870 176.600 0.073 0.000 1.048 385 K CA 1.321 57.698 56.287 0.150 0.000 0.940 385 K CB -0.701 31.877 32.500 0.130 0.000 0.729 385 K HN 0.400 nan 8.250 nan 0.000 0.451 386 G N 0.098 108.952 108.800 0.091 0.000 2.422 386 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 386 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 386 G C 1.138 175.982 174.900 -0.094 0.000 1.140 386 G CA 0.326 45.410 45.100 -0.026 0.000 0.775 386 G HN 0.236 nan 8.290 nan 0.000 0.545 387 F N 0.907 120.767 119.950 -0.150 0.000 2.206 387 F HA 0.103 4.630 4.527 -0.000 0.000 0.298 387 F C 2.806 178.495 175.800 -0.186 0.000 1.090 387 F CA 0.839 58.734 58.000 -0.176 0.000 1.323 387 F CB 0.039 38.870 39.000 -0.283 0.000 1.028 387 F HN -0.083 nan 8.300 nan 0.000 0.492 388 R N -0.190 120.294 120.500 -0.028 0.000 2.073 388 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 388 R C 2.094 178.293 176.300 -0.167 0.000 1.134 388 R CA 1.724 57.793 56.100 -0.051 0.000 0.952 388 R CB -1.785 28.518 30.300 0.005 0.000 0.850 388 R HN 0.186 nan 8.270 nan 0.000 0.433 389 T N 0.973 115.426 114.554 -0.168 0.000 2.849 389 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 389 T C 1.540 176.001 174.700 -0.399 0.000 1.066 389 T CA 1.468 63.414 62.100 -0.257 0.000 1.130 389 T CB -0.075 68.700 68.868 -0.155 0.000 0.864 389 T HN 0.192 nan 8.240 nan 0.000 0.481 390 S N -0.139 115.382 115.700 -0.298 0.000 2.577 390 S HA 0.060 4.530 4.470 -0.000 0.000 0.219 390 S C 0.018 174.548 174.600 -0.116 0.000 0.962 390 S CA -0.388 57.678 58.200 -0.223 0.000 0.921 390 S CB -0.068 63.021 63.200 -0.185 0.000 0.789 390 S HN 0.517 nan 8.310 nan 0.000 0.497 391 H N 0.424 119.500 119.070 0.010 0.000 2.741 391 H HA -0.136 4.420 4.556 -0.000 0.000 0.305 391 H C 0.314 175.674 175.328 0.054 0.000 1.169 391 H CA 0.641 56.709 56.048 0.033 0.000 1.144 391 H CB -1.252 28.524 29.762 0.025 0.000 1.397 391 H HN 0.229 nan 8.280 nan 0.000 0.409 392 R N 1.859 122.439 120.500 0.133 0.000 2.196 392 R HA 0.200 4.539 4.340 -0.000 0.000 0.340 392 R C 1.041 177.464 176.300 0.206 0.000 1.043 392 R CA -0.297 55.913 56.100 0.184 0.000 0.883 392 R CB 0.325 30.756 30.300 0.219 0.000 1.078 392 R HN 0.183 nan 8.270 nan 0.000 0.462 393 N N 2.622 121.438 118.700 0.193 0.000 2.333 393 N HA -0.063 4.677 4.740 -0.000 0.000 0.178 393 N C -0.590 175.041 175.510 0.200 0.000 1.018 393 N CA 0.731 53.887 53.050 0.176 0.000 0.882 393 N CB 0.326 38.910 38.487 0.161 0.000 0.984 393 N HN 0.606 nan 8.380 nan 0.000 0.434 394 E N 1.425 121.778 120.200 0.255 0.000 1.996 394 E HA 0.274 4.624 4.350 -0.000 0.000 0.280 394 E C -0.298 176.477 176.600 0.292 0.000 1.092 394 E CA -0.037 56.530 56.400 0.279 0.000 0.862 394 E CB 0.952 30.907 29.700 0.425 0.000 1.066 394 E HN 0.190 nan 8.360 nan 0.000 0.396 395 I N 3.260 123.907 120.570 0.128 0.000 2.359 395 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 395 I C -0.593 175.487 176.117 -0.061 0.000 0.987 395 I CA -0.832 60.330 61.300 -0.230 0.000 1.225 395 I CB 0.817 38.519 38.000 -0.496 0.000 1.366 395 I HN 0.397 nan 8.210 nan 0.000 0.466 396 F N 8.106 127.822 119.950 -0.390 0.000 2.579 396 F HA 0.641 5.168 4.527 -0.000 0.000 0.325 396 F C -1.259 174.461 175.800 -0.134 0.000 1.162 396 F CA -0.494 57.399 58.000 -0.179 0.000 0.946 396 F CB 0.928 39.857 39.000 -0.118 0.000 1.211 396 F HN 0.174 nan 8.300 nan 0.000 0.447 397 I N 7.192 127.245 120.570 -0.860 0.000 2.534 397 I HA 0.382 4.552 4.170 -0.000 0.000 0.288 397 I C -1.439 174.335 176.117 -0.573 0.000 1.077 397 I CA -0.781 60.208 61.300 -0.518 0.000 1.051 397 I CB 2.211 40.070 38.000 -0.234 0.000 1.234 397 I HN 0.486 nan 8.210 nan 0.000 0.425 398 L N 4.767 125.786 121.223 -0.340 0.000 2.329 398 L HA 0.626 4.965 4.340 -0.000 0.000 0.279 398 L C -0.471 176.539 176.870 0.232 0.000 1.014 398 L CA -0.111 54.652 54.840 -0.128 0.000 0.814 398 L CB 1.971 43.938 42.059 -0.153 0.000 1.257 398 L HN 0.646 nan 8.230 nan 0.000 0.424 399 S N 3.163 119.031 115.700 0.279 0.000 2.570 399 S HA 0.459 4.929 4.470 -0.000 0.000 0.286 399 S C 0.381 175.162 174.600 0.301 0.000 1.099 399 S CA -0.640 57.738 58.200 0.295 0.000 0.913 399 S CB 2.291 65.567 63.200 0.128 0.000 1.085 399 S HN 0.829 nan 8.310 nan 0.000 0.480 400 R N 1.795 122.389 120.500 0.157 0.000 2.105 400 R HA 0.418 4.758 4.340 -0.000 0.000 0.214 400 R C 0.806 176.957 176.300 -0.249 0.000 1.091 400 R CA 0.988 56.881 56.100 -0.346 0.000 1.007 400 R CB -0.239 29.763 30.300 -0.497 0.000 0.912 400 R HN 0.690 nan 8.270 nan 0.000 0.450 401 A N -0.398 122.370 122.820 -0.087 0.000 2.248 401 A HA 0.725 5.045 4.320 -0.000 0.000 0.316 401 A C -0.235 177.356 177.584 0.012 0.000 1.101 401 A CA -0.070 51.956 52.037 -0.018 0.000 0.875 401 A CB 1.316 20.307 19.000 -0.014 0.000 1.207 401 A HN 0.450 nan 8.150 nan 0.000 0.504 402 G N -2.202 106.628 108.800 0.050 0.000 2.441 402 G HA2 0.527 4.487 3.960 -0.000 0.000 0.294 402 G HA3 0.527 4.487 3.960 -0.000 0.000 0.294 402 G C -1.892 173.119 174.900 0.186 0.000 1.393 402 G CA -0.165 44.985 45.100 0.083 0.000 0.796 402 G HN 1.469 nan 8.290 nan 0.000 0.494 403 Y N -0.217 120.108 120.300 0.040 0.000 2.705 403 Y HA 0.700 5.250 4.550 -0.000 0.000 0.332 403 Y C 0.194 176.158 175.900 0.106 0.000 1.221 403 Y CA -0.359 57.800 58.100 0.099 0.000 1.059 403 Y CB 1.346 39.880 38.460 0.123 0.000 1.298 403 Y HN 1.327 nan 8.280 nan 0.000 0.459 404 A N 1.436 123.818 122.820 -0.731 0.000 2.567 404 A HA 0.398 4.718 4.320 -0.000 0.000 0.240 404 A C 1.282 178.771 177.584 -0.158 0.000 1.053 404 A CA 1.450 53.228 52.037 -0.432 0.000 0.755 404 A CB -1.365 17.341 19.000 -0.490 0.000 0.978 404 A HN 2.051 nan 8.150 nan 0.000 0.507 405 G N 1.617 110.297 108.800 -0.199 0.000 2.213 405 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 405 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 405 G C 0.896 175.690 174.900 -0.178 0.000 0.992 405 G CA 0.617 45.620 45.100 -0.160 0.000 0.632 405 G HN 1.356 nan 8.290 nan 0.000 0.511 406 I N 2.034 122.551 120.570 -0.089 0.000 2.423 406 I HA -0.147 4.023 4.170 -0.000 0.000 0.254 406 I C 2.804 178.841 176.117 -0.134 0.000 1.151 406 I CA 2.542 63.812 61.300 -0.050 0.000 1.421 406 I CB -0.113 37.891 38.000 0.006 0.000 1.079 406 I HN 0.532 nan 8.210 nan 0.000 0.431 407 Q N 0.715 120.402 119.800 -0.188 0.000 2.364 407 Q HA -0.225 4.115 4.340 -0.000 0.000 0.209 407 Q C 1.974 177.844 176.000 -0.217 0.000 0.977 407 Q CA 1.369 57.057 55.803 -0.193 0.000 0.885 407 Q CB -0.788 27.795 28.738 -0.258 0.000 0.941 407 Q HN 0.518 nan 8.270 nan 0.000 0.464 408 R N -0.523 119.678 120.500 -0.498 0.000 2.115 408 R HA -0.077 4.263 4.340 -0.000 0.000 0.230 408 R C 0.893 176.612 176.300 -0.969 0.000 1.111 408 R CA 1.662 57.268 56.100 -0.823 0.000 0.976 408 R CB -0.057 29.339 30.300 -1.506 0.000 0.870 408 R HN 0.384 nan 8.270 nan 0.000 0.445 409 Y N -1.938 118.147 120.300 -0.359 0.000 2.432 409 Y HA 0.520 5.070 4.550 -0.000 0.000 0.252 409 Y C 0.421 176.036 175.900 -0.475 0.000 1.097 409 Y CA -0.391 57.357 58.100 -0.585 0.000 1.250 409 Y CB 0.814 39.024 38.460 -0.417 0.000 1.245 409 Y HN -0.034 nan 8.280 nan 0.000 0.522 410 A N -0.798 122.040 122.820 0.029 0.000 2.599 410 A HA 0.642 4.962 4.320 -0.000 0.000 0.290 410 A C -1.690 176.121 177.584 0.377 0.000 1.101 410 A CA -0.647 51.498 52.037 0.179 0.000 0.674 410 A CB 0.523 19.562 19.000 0.065 0.000 1.277 410 A HN -0.058 nan 8.150 nan 0.000 0.419 411 F N 0.054 120.034 119.950 0.050 0.000 2.370 411 F HA 0.672 5.199 4.527 -0.000 0.000 0.324 411 F C 0.503 176.281 175.800 -0.037 0.000 1.116 411 F CA -0.359 57.642 58.000 0.003 0.000 1.123 411 F CB 1.120 39.953 39.000 -0.278 0.000 1.238 411 F HN 0.307 nan 8.300 nan 0.000 0.536 412 I N 1.543 122.211 120.570 0.164 0.000 2.533 412 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 412 I C -1.358 174.887 176.117 0.213 0.000 1.056 412 I CA -0.731 60.654 61.300 0.142 0.000 1.057 412 I CB 1.886 39.910 38.000 0.040 0.000 1.240 412 I HN 0.729 nan 8.210 nan 0.000 0.423 413 W N 5.029 126.326 121.300 -0.006 0.000 2.706 413 W HA 0.500 5.160 4.660 -0.000 0.000 0.346 413 W C 0.635 177.192 176.519 0.063 0.000 1.071 413 W CA -0.773 56.624 57.345 0.088 0.000 1.206 413 W CB 0.963 30.504 29.460 0.135 0.000 1.413 413 W HN 0.563 nan 8.180 nan 0.000 0.542 414 T N 1.390 115.879 114.554 -0.109 0.000 3.496 414 T HA 0.377 4.727 4.350 -0.000 0.000 0.253 414 T C 0.977 175.504 174.700 -0.288 0.000 1.134 414 T CA 0.445 62.439 62.100 -0.176 0.000 0.993 414 T CB -1.242 67.698 68.868 0.120 0.000 1.018 414 T HN 1.702 nan 8.240 nan 0.000 0.571 415 G N 1.996 110.101 108.800 -1.158 0.000 2.569 415 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.259 415 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.259 415 G C -0.626 174.392 174.900 0.197 0.000 1.263 415 G CA -0.181 44.502 45.100 -0.695 0.000 0.928 415 G HN 0.495 nan 8.290 nan 0.000 0.572 416 D N 2.628 123.205 120.400 0.294 0.000 2.600 416 D HA 0.206 4.846 4.640 -0.000 0.000 0.226 416 D C 1.164 177.605 176.300 0.235 0.000 1.119 416 D CA 0.220 54.392 54.000 0.287 0.000 1.051 416 D CB -0.735 40.218 40.800 0.256 0.000 1.106 416 D HN 0.617 nan 8.370 nan 0.000 0.491 417 N N -0.314 118.511 118.700 0.209 0.000 2.424 417 N HA 0.080 4.820 4.740 -0.000 0.000 0.257 417 N C -0.249 175.287 175.510 0.043 0.000 1.250 417 N CA -0.149 52.859 53.050 -0.069 0.000 0.946 417 N CB 0.571 39.157 38.487 0.165 0.000 1.175 417 N HN -0.197 nan 8.380 nan 0.000 0.477 418 T N 1.193 115.739 114.554 -0.013 0.000 2.771 418 T HA 0.387 4.736 4.350 -0.000 0.000 0.281 418 T C -2.590 172.150 174.700 0.067 0.000 0.982 418 T CA -1.117 61.021 62.100 0.062 0.000 0.978 418 T CB 1.445 70.402 68.868 0.148 0.000 0.930 418 T HN 0.420 nan 8.240 nan 0.000 0.447 419 P HA 0.278 nan 4.420 nan 0.000 0.266 419 P C -0.667 176.668 177.300 0.058 0.000 1.215 419 P CA 0.063 63.182 63.100 0.031 0.000 0.763 419 P CB 0.376 32.014 31.700 -0.105 0.000 0.806 420 S N 1.767 117.519 115.700 0.086 0.000 2.622 420 S HA 0.191 4.661 4.470 -0.000 0.000 0.275 420 S C -0.180 174.380 174.600 -0.067 0.000 1.112 420 S CA -0.890 57.320 58.200 0.018 0.000 0.837 420 S CB -0.193 63.065 63.200 0.097 0.000 1.082 420 S HN 0.262 nan 8.310 nan 0.000 0.456 421 W N 1.208 122.529 121.300 0.036 0.000 2.363 421 W HA 0.014 4.673 4.660 -0.000 0.000 0.296 421 W C 1.651 178.160 176.519 -0.016 0.000 1.212 421 W CA 1.596 58.936 57.345 -0.008 0.000 1.260 421 W CB -0.284 29.177 29.460 0.002 0.000 1.131 421 W HN 0.750 nan 8.180 nan 0.000 0.530 422 D N -0.410 120.110 120.400 0.200 0.000 2.178 422 D HA -0.182 4.458 4.640 -0.000 0.000 0.202 422 D C 1.419 177.760 176.300 0.068 0.000 0.974 422 D CA 1.617 55.685 54.000 0.115 0.000 0.841 422 D CB -0.651 40.198 40.800 0.083 0.000 0.953 422 D HN 0.197 nan 8.370 nan 0.000 0.478 423 D N 0.300 120.740 120.400 0.066 0.000 2.218 423 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 423 D C 2.207 178.531 176.300 0.039 0.000 0.976 423 D CA 0.418 54.470 54.000 0.086 0.000 0.853 423 D CB -0.059 40.841 40.800 0.166 0.000 0.939 423 D HN 0.133 nan 8.370 nan 0.000 0.481 424 L N 0.001 121.171 121.223 -0.089 0.000 2.012 424 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 424 L C 2.498 179.378 176.870 0.018 0.000 1.073 424 L CA 1.287 56.038 54.840 -0.149 0.000 0.748 424 L CB -0.404 41.542 42.059 -0.187 0.000 0.891 424 L HN 0.048 nan 8.230 nan 0.000 0.431 425 K N -0.166 120.263 120.400 0.048 0.000 2.097 425 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 425 K C 2.129 178.776 176.600 0.078 0.000 1.050 425 K CA 0.922 57.252 56.287 0.072 0.000 0.938 425 K CB -0.137 32.402 32.500 0.065 0.000 0.718 425 K HN 0.257 nan 8.250 nan 0.000 0.442 426 L N 1.263 122.529 121.223 0.073 0.000 2.017 426 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 426 L C 2.354 179.304 176.870 0.133 0.000 1.073 426 L CA 1.481 56.372 54.840 0.085 0.000 0.745 426 L CB -0.232 41.888 42.059 0.101 0.000 0.894 426 L HN 0.291 nan 8.230 nan 0.000 0.432 427 Q N -0.533 119.374 119.800 0.177 0.000 2.135 427 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 427 Q C 2.098 178.190 176.000 0.153 0.000 0.981 427 Q CA 1.278 57.213 55.803 0.219 0.000 0.856 427 Q CB -0.572 28.355 28.738 0.315 0.000 0.902 427 Q HN 0.364 nan 8.270 nan 0.000 0.425 428 L N 1.038 122.354 121.223 0.155 0.000 2.093 428 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 428 L C 2.137 179.018 176.870 0.019 0.000 1.085 428 L CA 1.752 56.652 54.840 0.101 0.000 0.755 428 L CB -0.540 41.607 42.059 0.148 0.000 0.904 428 L HN 0.232 nan 8.230 nan 0.000 0.435 429 Q N -1.662 118.174 119.800 0.059 0.000 2.123 429 Q HA -0.172 4.168 4.340 -0.000 0.000 0.199 429 Q C 2.074 178.094 176.000 0.033 0.000 0.966 429 Q CA 0.944 56.784 55.803 0.062 0.000 0.845 429 Q CB -0.152 28.644 28.738 0.098 0.000 0.907 429 Q HN 0.304 nan 8.270 nan 0.000 0.439 430 L N 0.322 121.563 121.223 0.031 0.000 1.994 430 L HA -0.160 4.179 4.340 -0.000 0.000 0.208 430 L C 2.482 179.318 176.870 -0.058 0.000 1.071 430 L CA 1.610 56.453 54.840 0.006 0.000 0.745 430 L CB -1.262 40.820 42.059 0.038 0.000 0.892 430 L HN 0.239 nan 8.230 nan 0.000 0.431 431 V N -3.377 116.461 119.914 -0.127 0.000 2.427 431 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 431 V C 2.296 178.246 176.094 -0.241 0.000 1.051 431 V CA 1.268 63.419 62.300 -0.248 0.000 1.048 431 V CB -0.763 30.722 31.823 -0.563 0.000 0.666 431 V HN 0.361 nan 8.190 nan 0.000 0.456 432 L N 1.094 122.195 121.223 -0.204 0.000 2.156 432 L HA 0.092 4.432 4.340 -0.000 0.000 0.208 432 L C 2.832 179.648 176.870 -0.089 0.000 1.095 432 L CA 1.469 56.211 54.840 -0.162 0.000 0.770 432 L CB -1.147 40.840 42.059 -0.121 0.000 0.914 432 L HN 0.504 nan 8.230 nan 0.000 0.439 433 G N -0.045 108.727 108.800 -0.046 0.000 2.408 433 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 433 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 433 G C 1.531 176.392 174.900 -0.065 0.000 1.150 433 G CA 0.233 45.321 45.100 -0.020 0.000 0.776 433 G HN 0.099 nan 8.290 nan 0.000 0.542 434 L N 0.990 122.160 121.223 -0.088 0.000 2.056 434 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 434 L C 3.034 179.823 176.870 -0.136 0.000 1.078 434 L CA 1.942 56.719 54.840 -0.106 0.000 0.749 434 L CB -0.905 41.094 42.059 -0.100 0.000 0.901 434 L HN 0.279 nan 8.230 nan 0.000 0.433 435 S N -0.836 114.773 115.700 -0.152 0.000 2.368 435 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 435 S C 1.932 176.435 174.600 -0.162 0.000 1.030 435 S CA 1.221 59.313 58.200 -0.181 0.000 0.999 435 S CB -0.331 62.746 63.200 -0.205 0.000 0.844 435 S HN 0.314 nan 8.310 nan 0.000 0.459 436 I N 1.277 121.778 120.570 -0.114 0.000 3.176 436 I HA 0.134 4.304 4.170 -0.000 0.000 0.275 436 I C 1.127 177.195 176.117 -0.081 0.000 1.298 436 I CA 0.713 61.988 61.300 -0.042 0.000 1.445 436 I CB -0.100 37.947 38.000 0.078 0.000 1.075 436 I HN 0.128 nan 8.210 nan 0.000 0.482 437 S N 0.196 115.810 115.700 -0.144 0.000 2.575 437 S HA 0.452 4.922 4.470 -0.000 0.000 0.237 437 S C 1.307 175.737 174.600 -0.283 0.000 0.975 437 S CA 0.338 58.394 58.200 -0.241 0.000 0.960 437 S CB 0.210 63.289 63.200 -0.201 0.000 0.822 437 S HN 0.644 nan 8.310 nan 0.000 0.472 438 G N 0.751 109.435 108.800 -0.193 0.000 2.176 438 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.232 438 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.232 438 G C 0.034 174.838 174.900 -0.161 0.000 0.986 438 G CA -0.079 44.962 45.100 -0.098 0.000 0.643 438 G HN 0.452 nan 8.290 nan 0.000 0.522 439 V N 2.599 122.397 119.914 -0.193 0.000 2.275 439 V HA 0.352 4.472 4.120 -0.000 0.000 0.272 439 V C -0.273 175.645 176.094 -0.294 0.000 1.028 439 V CA -0.604 61.557 62.300 -0.232 0.000 0.810 439 V CB 1.464 33.191 31.823 -0.159 0.000 1.043 439 V HN 0.182 nan 8.190 nan 0.000 0.453 440 P HA -0.021 nan 4.420 nan 0.000 0.217 440 P C 0.311 177.377 177.300 -0.390 0.000 1.154 440 P CA 0.785 63.572 63.100 -0.523 0.000 0.841 440 P CB 0.239 31.462 31.700 -0.795 0.000 0.788 441 F N 2.395 122.147 119.950 -0.330 0.000 2.462 441 F HA 0.264 4.791 4.527 -0.000 0.000 0.354 441 F C 0.971 176.577 175.800 -0.323 0.000 1.192 441 F CA -1.418 56.251 58.000 -0.551 0.000 1.173 441 F CB -0.489 37.630 39.000 -1.469 0.000 1.402 441 F HN -0.179 nan 8.300 nan 0.000 0.595 442 V N -0.241 119.729 119.914 0.093 0.000 3.141 442 V HA 1.134 5.253 4.120 -0.000 0.000 0.312 442 V C -0.204 176.074 176.094 0.307 0.000 1.157 442 V CA -0.747 61.640 62.300 0.146 0.000 1.041 442 V CB 1.708 33.520 31.823 -0.019 0.000 1.071 442 V HN 0.773 nan 8.190 nan 0.000 0.441 443 G N -0.999 108.024 108.800 0.372 0.000 2.488 443 G HA2 0.700 4.660 3.960 -0.000 0.000 0.301 443 G HA3 0.700 4.660 3.960 -0.000 0.000 0.301 443 G C -0.949 174.248 174.900 0.495 0.000 1.339 443 G CA 0.024 45.429 45.100 0.509 0.000 0.803 443 G HN 2.123 nan 8.290 nan 0.000 0.482 444 C N -1.225 118.384 119.300 0.516 0.000 3.236 444 C HA 0.799 5.259 4.460 -0.000 0.000 0.312 444 C C -1.073 174.121 174.990 0.340 0.000 1.374 444 C CA -1.169 58.130 59.018 0.469 0.000 1.455 444 C CB 1.703 29.705 27.740 0.437 0.000 1.834 444 C HN 0.624 nan 8.230 nan 0.000 0.460 445 D N 1.918 122.520 120.400 0.336 0.000 2.346 445 D HA 0.297 4.937 4.640 -0.000 0.000 0.260 445 D C 0.328 176.577 176.300 -0.086 0.000 1.252 445 D CA 0.574 54.654 54.000 0.133 0.000 0.895 445 D CB 0.581 41.545 40.800 0.273 0.000 1.097 445 D HN 0.532 nan 8.370 nan 0.000 0.489 446 I N 1.595 122.013 120.570 -0.254 0.000 2.662 446 I HA 0.071 4.241 4.170 -0.000 0.000 0.285 446 I C 1.667 177.433 176.117 -0.585 0.000 1.161 446 I CA 0.516 61.539 61.300 -0.462 0.000 1.415 446 I CB 0.432 37.957 38.000 -0.791 0.000 1.385 446 I HN 0.655 nan 8.210 nan 0.000 0.552 447 G N 4.017 112.213 108.800 -1.008 0.000 2.195 447 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.246 447 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.246 447 G C 0.586 174.982 174.900 -0.840 0.000 0.984 447 G CA -0.104 44.471 45.100 -0.874 0.000 0.633 447 G HN 1.569 nan 8.290 nan 0.000 0.525 448 G N -1.521 106.813 108.800 -0.775 0.000 2.850 448 G HA2 0.133 4.093 3.960 -0.000 0.000 0.686 448 G HA3 0.133 4.093 3.960 -0.000 0.000 0.686 448 G C 0.246 175.084 174.900 -0.102 0.000 1.164 448 G CA 0.210 45.113 45.100 -0.328 0.000 0.826 448 G HN 1.552 nan 8.290 nan 0.000 0.586 449 F N 2.044 121.962 119.950 -0.053 0.000 2.098 449 F HA 0.119 4.646 4.527 -0.000 0.000 0.294 449 F C 1.814 177.596 175.800 -0.030 0.000 1.107 449 F CA 1.757 59.753 58.000 -0.006 0.000 1.234 449 F CB -0.115 38.985 39.000 0.166 0.000 1.002 449 F HN 0.607 nan 8.300 nan 0.000 0.472 450 Q N 1.225 120.938 119.800 -0.144 0.000 2.310 450 Q HA 0.062 4.402 4.340 -0.000 0.000 0.315 450 Q C 0.919 176.690 176.000 -0.381 0.000 1.081 450 Q CA 0.805 56.449 55.803 -0.264 0.000 0.981 450 Q CB 0.255 28.973 28.738 -0.033 0.000 1.184 450 Q HN 0.518 nan 8.270 nan 0.000 0.389 451 G N 2.358 110.917 108.800 -0.401 0.000 2.568 451 G HA2 0.074 4.033 3.960 -0.000 0.000 0.212 451 G HA3 0.074 4.033 3.960 -0.000 0.000 0.212 451 G C 0.068 174.778 174.900 -0.317 0.000 1.821 451 G CA -0.126 44.770 45.100 -0.340 0.000 0.904 451 G HN 0.519 nan 8.290 nan 0.000 0.566 452 R N 0.744 121.082 120.500 -0.269 0.000 2.635 452 R HA 0.191 4.531 4.340 -0.000 0.000 0.393 452 R C 0.453 176.646 176.300 -0.179 0.000 1.070 452 R CA -0.185 55.769 56.100 -0.244 0.000 1.118 452 R CB 0.310 30.508 30.300 -0.170 0.000 1.341 452 R HN 0.449 nan 8.270 nan 0.000 0.628 453 N N 0.956 119.552 118.700 -0.173 0.000 2.336 453 N HA 0.008 4.747 4.740 -0.000 0.000 0.189 453 N C -0.167 175.450 175.510 0.178 0.000 1.113 453 N CA 0.182 53.245 53.050 0.022 0.000 0.858 453 N CB 0.251 38.808 38.487 0.117 0.000 0.970 453 N HN 0.217 nan 8.380 nan 0.000 0.471 454 F N -4.424 115.525 119.950 -0.002 0.000 2.688 454 F HA 0.706 5.233 4.527 -0.000 0.000 0.308 454 F C 0.718 176.521 175.800 0.005 0.000 1.117 454 F CA -1.245 56.760 58.000 0.009 0.000 0.976 454 F CB 0.571 39.584 39.000 0.022 0.000 1.291 454 F HN -0.157 nan 8.300 nan 0.000 0.439 455 A N 0.467 123.404 122.820 0.195 0.000 1.948 455 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 455 A C 1.161 178.802 177.584 0.095 0.000 1.177 455 A CA 1.906 54.002 52.037 0.098 0.000 0.636 455 A CB -0.871 18.193 19.000 0.106 0.000 0.815 455 A HN 0.773 nan 8.150 nan 0.000 0.449 456 E N -0.087 120.269 120.200 0.261 0.000 2.528 456 E HA 0.308 4.658 4.350 -0.000 0.000 0.237 456 E C -0.564 176.106 176.600 0.116 0.000 1.408 456 E CA 0.207 56.743 56.400 0.226 0.000 1.571 456 E CB -0.510 29.378 29.700 0.313 0.000 1.395 456 E HN 0.597 nan 8.360 nan 0.000 0.438 457 I N 0.431 120.947 120.570 -0.090 0.000 2.465 457 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 457 I C -0.364 175.699 176.117 -0.091 0.000 1.014 457 I CA -0.983 60.208 61.300 -0.182 0.000 1.093 457 I CB 1.807 39.543 38.000 -0.441 0.000 1.267 457 I HN -0.111 nan 8.210 nan 0.000 0.431 458 D N 5.956 126.326 120.400 -0.050 0.000 2.427 458 D HA 0.205 4.845 4.640 -0.000 0.000 0.226 458 D C -0.146 176.119 176.300 -0.059 0.000 1.076 458 D CA -0.221 53.768 54.000 -0.018 0.000 0.849 458 D CB 0.797 41.620 40.800 0.038 0.000 1.052 458 D HN 0.378 nan 8.370 nan 0.000 0.515 459 N N 1.811 120.472 118.700 -0.066 0.000 2.327 459 N HA -0.003 4.737 4.740 -0.000 0.000 0.231 459 N C 0.101 175.571 175.510 -0.067 0.000 1.130 459 N CA -0.107 52.892 53.050 -0.085 0.000 0.845 459 N CB 0.475 38.901 38.487 -0.102 0.000 1.073 459 N HN 0.376 nan 8.380 nan 0.000 0.496 460 S N -0.384 115.294 115.700 -0.037 0.000 2.572 460 S HA 0.143 4.613 4.470 -0.000 0.000 0.279 460 S C 1.560 176.098 174.600 -0.104 0.000 1.341 460 S CA -0.339 57.842 58.200 -0.031 0.000 1.043 460 S CB 1.159 64.402 63.200 0.072 0.000 0.887 460 S HN 0.113 nan 8.310 nan 0.000 0.516 461 M N 1.390 120.854 119.600 -0.226 0.000 2.254 461 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 461 M C 1.771 177.838 176.300 -0.388 0.000 1.066 461 M CA 1.328 56.368 55.300 -0.433 0.000 1.123 461 M CB -0.517 31.547 32.600 -0.894 0.000 1.388 461 M HN 0.881 nan 8.290 nan 0.000 0.425 462 D N 0.664 120.951 120.400 -0.189 0.000 2.224 462 D HA -0.155 4.485 4.640 -0.000 0.000 0.205 462 D C 1.897 178.260 176.300 0.104 0.000 0.965 462 D CA 0.868 54.960 54.000 0.155 0.000 0.852 462 D CB -0.564 40.469 40.800 0.387 0.000 0.947 462 D HN 0.381 nan 8.370 nan 0.000 0.494 463 L N -0.184 121.001 121.223 -0.063 0.000 2.072 463 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 463 L C 2.451 179.244 176.870 -0.129 0.000 1.079 463 L CA 0.690 55.252 54.840 -0.463 0.000 0.752 463 L CB -0.218 41.487 42.059 -0.591 0.000 0.906 463 L HN 0.038 nan 8.230 nan 0.000 0.436 464 L N -0.343 120.881 121.223 0.002 0.000 2.042 464 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 464 L C 2.322 179.346 176.870 0.257 0.000 1.076 464 L CA 1.776 56.696 54.840 0.133 0.000 0.749 464 L CB -0.624 41.474 42.059 0.064 0.000 0.893 464 L HN 0.016 nan 8.230 nan 0.000 0.432 465 V N -0.185 119.842 119.914 0.189 0.000 2.407 465 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 465 V C 2.666 178.888 176.094 0.213 0.000 1.055 465 V CA 1.664 64.106 62.300 0.236 0.000 1.049 465 V CB -0.802 31.151 31.823 0.216 0.000 0.662 465 V HN 0.416 nan 8.190 nan 0.000 0.455 466 K N -0.935 119.527 120.400 0.103 0.000 2.211 466 K HA -0.132 4.188 4.320 -0.000 0.000 0.203 466 K C 1.974 178.561 176.600 -0.022 0.000 1.050 466 K CA 1.386 57.687 56.287 0.024 0.000 0.945 466 K CB -0.500 31.930 32.500 -0.116 0.000 0.732 466 K HN 0.531 nan 8.250 nan 0.000 0.451 467 Y N -0.185 120.086 120.300 -0.048 0.000 2.163 467 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 467 Y C 2.209 178.035 175.900 -0.122 0.000 1.136 467 Y CA 1.347 59.379 58.100 -0.114 0.000 1.147 467 Y CB -0.504 37.837 38.460 -0.197 0.000 0.987 467 Y HN 0.022 nan 8.280 nan 0.000 0.509 468 Y N -0.991 119.372 120.300 0.104 0.000 2.165 468 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 468 Y C 2.498 178.476 175.900 0.130 0.000 1.155 468 Y CA 1.397 59.537 58.100 0.067 0.000 1.164 468 Y CB -0.739 37.767 38.460 0.077 0.000 0.978 468 Y HN 0.106 nan 8.280 nan 0.000 0.513 469 A N -0.708 122.269 122.820 0.262 0.000 1.929 469 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 469 A C 2.136 179.866 177.584 0.242 0.000 1.176 469 A CA 1.292 53.465 52.037 0.226 0.000 0.628 469 A CB -0.952 18.175 19.000 0.211 0.000 0.816 469 A HN 0.442 nan 8.150 nan 0.000 0.444 470 L N -0.265 121.026 121.223 0.114 0.000 2.017 470 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 470 L C 2.254 179.005 176.870 -0.199 0.000 1.073 470 L CA 2.239 57.106 54.840 0.047 0.000 0.745 470 L CB -0.390 41.628 42.059 -0.068 0.000 0.894 470 L HN 0.270 nan 8.230 nan 0.000 0.432 471 A N -1.131 121.438 122.820 -0.419 0.000 2.302 471 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 471 A C 1.839 179.370 177.584 -0.090 0.000 1.243 471 A CA 0.409 51.901 52.037 -0.909 0.000 0.856 471 A CB -0.835 17.879 19.000 -0.478 0.000 0.893 471 A HN 0.473 nan 8.150 nan 0.000 0.491 472 L N -1.072 120.134 121.223 -0.028 0.000 2.064 472 L HA -0.175 4.165 4.340 -0.000 0.000 0.216 472 L C 1.351 177.873 176.870 -0.581 0.000 1.077 472 L CA 2.310 56.925 54.840 -0.375 0.000 0.766 472 L CB -0.605 41.021 42.059 -0.722 0.000 0.890 472 L HN 0.429 nan 8.230 nan 0.000 0.435 473 F N -1.970 118.041 119.950 0.102 0.000 2.653 473 F HA 0.249 4.775 4.527 -0.000 0.000 0.304 473 F C 0.564 176.666 175.800 0.503 0.000 1.092 473 F CA -1.091 57.044 58.000 0.226 0.000 1.279 473 F CB -0.307 38.812 39.000 0.198 0.000 1.044 473 F HN -0.207 nan 8.300 nan 0.000 0.564 474 F N 2.071 122.277 119.950 0.426 0.000 2.506 474 F HA 0.169 4.696 4.527 -0.000 0.000 0.351 474 F C -1.042 175.001 175.800 0.404 0.000 1.136 474 F CA -3.030 55.184 58.000 0.357 0.000 1.298 474 F CB -0.082 39.112 39.000 0.322 0.000 1.145 474 F HN -0.139 nan 8.300 nan 0.000 0.593 475 P HA -0.177 nan 4.420 nan 0.000 0.215 475 P C 0.053 177.769 177.300 0.694 0.000 1.157 475 P CA 1.321 64.826 63.100 0.675 0.000 0.868 475 P CB 0.121 32.169 31.700 0.580 0.000 0.788 476 F N -0.123 120.123 119.950 0.492 0.000 2.391 476 F HA 0.355 4.882 4.527 -0.000 0.000 0.359 476 F C -0.646 175.423 175.800 0.448 0.000 1.122 476 F CA -1.348 56.928 58.000 0.461 0.000 1.120 476 F CB 0.105 39.413 39.000 0.513 0.000 1.142 476 F HN -0.145 nan 8.300 nan 0.000 0.483 477 Y N 7.467 127.619 120.300 -0.247 0.000 2.842 477 Y HA 0.448 4.998 4.550 -0.000 0.000 0.334 477 Y C -0.565 175.095 175.900 -0.401 0.000 1.019 477 Y CA -0.579 57.405 58.100 -0.194 0.000 1.258 477 Y CB 0.104 38.566 38.460 0.003 0.000 1.106 477 Y HN 0.647 nan 8.280 nan 0.000 0.545 478 R N 2.794 122.870 120.500 -0.708 0.000 2.686 478 R HA 0.565 4.905 4.340 -0.000 0.000 0.283 478 R C -1.259 174.765 176.300 -0.461 0.000 0.978 478 R CA -0.604 55.092 56.100 -0.674 0.000 0.897 478 R CB 1.764 31.398 30.300 -1.110 0.000 1.192 478 R HN 0.491 nan 8.270 nan 0.000 0.457 479 S N 2.081 117.596 115.700 -0.309 0.000 2.429 479 S HA 0.316 4.786 4.470 -0.000 0.000 0.302 479 S C -1.373 173.178 174.600 -0.083 0.000 1.115 479 S CA -0.430 57.653 58.200 -0.194 0.000 1.095 479 S CB 0.540 63.721 63.200 -0.031 0.000 0.987 479 S HN 0.666 nan 8.310 nan 0.000 0.474 480 H N 2.554 121.523 119.070 -0.169 0.000 2.894 480 H HA 0.731 5.287 4.556 -0.000 0.000 0.367 480 H C -1.041 174.307 175.328 0.034 0.000 1.144 480 H CA -0.560 55.446 56.048 -0.070 0.000 1.180 480 H CB 1.493 31.193 29.762 -0.103 0.000 1.758 480 H HN 0.588 nan 8.280 nan 0.000 0.541 481 K N 2.676 122.861 120.400 -0.359 0.000 2.502 481 K HA 0.792 5.111 4.320 -0.000 0.000 0.257 481 K C -1.271 175.040 176.600 -0.482 0.000 0.938 481 K CA -0.226 55.842 56.287 -0.365 0.000 0.819 481 K CB 1.917 34.273 32.500 -0.241 0.000 1.333 481 K HN 0.700 nan 8.250 nan 0.000 0.434 482 A N 1.306 123.686 122.820 -0.734 0.000 2.346 482 A HA 0.240 4.560 4.320 -0.000 0.000 0.252 482 A C 0.717 178.093 177.584 -0.347 0.000 1.089 482 A CA 0.518 52.169 52.037 -0.642 0.000 0.797 482 A CB -0.298 18.120 19.000 -0.970 0.000 1.047 482 A HN 0.885 nan 8.150 nan 0.000 0.494 483 T N 0.804 115.151 114.554 -0.344 0.000 2.665 483 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 483 T C 1.098 175.647 174.700 -0.251 0.000 1.035 483 T CA 1.920 63.807 62.100 -0.356 0.000 1.151 483 T CB -0.351 68.239 68.868 -0.465 0.000 0.862 483 T HN 0.876 nan 8.240 nan 0.000 0.438 484 D N 1.426 121.689 120.400 -0.228 0.000 2.325 484 D HA 0.173 4.813 4.640 -0.000 0.000 0.225 484 D C 0.806 176.989 176.300 -0.195 0.000 1.096 484 D CA -0.276 53.615 54.000 -0.182 0.000 0.844 484 D CB -0.534 40.182 40.800 -0.141 0.000 0.925 484 D HN 0.386 nan 8.370 nan 0.000 0.513 485 G N 1.137 109.797 108.800 -0.234 0.000 2.476 485 G HA2 0.474 4.434 3.960 -0.000 0.000 0.286 485 G HA3 0.474 4.434 3.960 -0.000 0.000 0.286 485 G C 0.725 175.512 174.900 -0.188 0.000 1.177 485 G CA -0.884 44.078 45.100 -0.229 0.000 0.870 485 G HN 0.365 nan 8.290 nan 0.000 0.528 486 I N -1.161 119.310 120.570 -0.164 0.000 2.993 486 I HA 0.136 4.306 4.170 -0.000 0.000 0.286 486 I C -0.514 175.523 176.117 -0.134 0.000 1.215 486 I CA -0.560 60.654 61.300 -0.143 0.000 1.393 486 I CB 0.525 38.455 38.000 -0.117 0.000 1.371 486 I HN 0.203 nan 8.210 nan 0.000 0.602 487 D N 3.793 124.102 120.400 -0.152 0.000 2.401 487 D HA 0.054 4.694 4.640 -0.000 0.000 0.254 487 D C 1.043 177.361 176.300 0.029 0.000 1.192 487 D CA 0.368 54.300 54.000 -0.112 0.000 0.885 487 D CB 1.322 41.881 40.800 -0.403 0.000 1.147 487 D HN 0.780 nan 8.370 nan 0.000 0.478 488 T N -0.992 113.616 114.554 0.089 0.000 3.092 488 T HA 0.091 4.441 4.350 -0.000 0.000 0.258 488 T C 0.462 175.279 174.700 0.194 0.000 1.031 488 T CA -0.534 61.632 62.100 0.111 0.000 0.925 488 T CB 0.300 69.185 68.868 0.029 0.000 1.036 488 T HN 0.061 nan 8.240 nan 0.000 0.544 489 E N 2.977 123.351 120.200 0.290 0.000 2.413 489 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 489 E C -1.706 174.892 176.600 -0.002 0.000 1.015 489 E CA -2.199 54.297 56.400 0.161 0.000 0.916 489 E CB 0.544 30.323 29.700 0.132 0.000 0.947 489 E HN 0.111 nan 8.360 nan 0.000 0.440 490 P HA -0.212 nan 4.420 nan 0.000 0.216 490 P C 1.130 178.248 177.300 -0.303 0.000 1.150 490 P CA 1.191 64.061 63.100 -0.383 0.000 0.843 490 P CB 0.038 31.115 31.700 -1.039 0.000 0.787 491 V N -5.243 114.397 119.914 -0.457 0.000 3.026 491 V HA -0.139 3.981 4.120 -0.000 0.000 0.265 491 V C 1.382 177.252 176.094 -0.374 0.000 1.121 491 V CA 1.632 63.700 62.300 -0.386 0.000 1.142 491 V CB -1.771 29.731 31.823 -0.536 0.000 0.730 491 V HN -0.057 nan 8.190 nan 0.000 0.503 492 F N 0.272 120.218 119.950 -0.008 0.000 2.727 492 F HA 0.519 5.046 4.527 -0.000 0.000 0.302 492 F C 0.879 176.699 175.800 0.033 0.000 1.097 492 F CA -0.909 57.099 58.000 0.012 0.000 1.330 492 F CB -0.247 38.754 39.000 0.001 0.000 1.084 492 F HN 0.086 nan 8.300 nan 0.000 0.578 493 L N 0.899 122.222 121.223 0.167 0.000 2.379 493 L HA 0.397 4.737 4.340 -0.000 0.000 0.269 493 L C -2.057 174.929 176.870 0.193 0.000 1.084 493 L CA -2.043 52.904 54.840 0.178 0.000 0.802 493 L CB 0.606 42.767 42.059 0.169 0.000 1.175 493 L HN -0.236 nan 8.230 nan 0.000 0.448 494 P HA 0.011 nan 4.420 nan 0.000 0.269 494 P C -0.036 177.381 177.300 0.196 0.000 1.209 494 P CA -0.228 63.004 63.100 0.219 0.000 0.776 494 P CB 0.514 32.380 31.700 0.277 0.000 0.876 495 D N 0.737 121.217 120.400 0.133 0.000 2.170 495 D HA -0.257 4.382 4.640 -0.000 0.000 0.193 495 D C 1.595 177.936 176.300 0.069 0.000 1.004 495 D CA 1.791 55.846 54.000 0.093 0.000 0.860 495 D CB -0.565 40.275 40.800 0.067 0.000 0.931 495 D HN 0.496 nan 8.370 nan 0.000 0.448 496 Y N 0.576 120.835 120.300 -0.069 0.000 2.081 496 Y HA -0.340 4.210 4.550 -0.000 0.000 0.280 496 Y C 2.158 177.916 175.900 -0.237 0.000 1.163 496 Y CA 1.736 59.711 58.100 -0.209 0.000 1.135 496 Y CB -0.598 37.634 38.460 -0.379 0.000 0.970 496 Y HN -0.009 nan 8.280 nan 0.000 0.498 497 Y N 0.068 120.401 120.300 0.055 0.000 2.286 497 Y HA -0.065 4.485 4.550 -0.000 0.000 0.293 497 Y C 2.566 178.440 175.900 -0.044 0.000 1.124 497 Y CA 1.503 59.587 58.100 -0.026 0.000 1.178 497 Y CB -0.669 37.853 38.460 0.104 0.000 1.010 497 Y HN 0.068 nan 8.280 nan 0.000 0.536 498 K N 0.391 120.884 120.400 0.154 0.000 2.063 498 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 498 K C 1.946 178.607 176.600 0.101 0.000 1.048 498 K CA 1.688 58.063 56.287 0.147 0.000 0.928 498 K CB -0.011 32.587 32.500 0.163 0.000 0.713 498 K HN 0.083 nan 8.250 nan 0.000 0.442 499 E N 0.963 121.157 120.200 -0.009 0.000 2.106 499 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 499 E C 1.798 178.338 176.600 -0.101 0.000 0.984 499 E CA 1.149 57.505 56.400 -0.073 0.000 0.806 499 E CB 0.104 29.736 29.700 -0.112 0.000 0.750 499 E HN 0.344 nan 8.360 nan 0.000 0.458 500 K N 0.057 120.374 120.400 -0.138 0.000 2.057 500 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 500 K C 2.184 178.742 176.600 -0.070 0.000 1.050 500 K CA 1.033 57.245 56.287 -0.125 0.000 0.935 500 K CB -0.006 32.403 32.500 -0.152 0.000 0.715 500 K HN -0.035 nan 8.250 nan 0.000 0.439 501 V N 1.759 121.631 119.914 -0.071 0.000 2.358 501 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 501 V C 2.310 178.379 176.094 -0.042 0.000 1.047 501 V CA 1.588 63.774 62.300 -0.189 0.000 1.035 501 V CB -0.364 31.219 31.823 -0.400 0.000 0.658 501 V HN 0.312 nan 8.190 nan 0.000 0.452 502 K N 0.213 120.639 120.400 0.042 0.000 2.063 502 K HA -0.232 4.087 4.320 -0.000 0.000 0.208 502 K C 2.107 178.635 176.600 -0.120 0.000 1.048 502 K CA 1.961 58.148 56.287 -0.166 0.000 0.928 502 K CB -0.112 32.166 32.500 -0.370 0.000 0.713 502 K HN 0.591 nan 8.250 nan 0.000 0.442 503 E N 0.208 120.364 120.200 -0.073 0.000 2.150 503 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 503 E C 2.047 178.658 176.600 0.019 0.000 0.985 503 E CA 1.001 57.387 56.400 -0.023 0.000 0.814 503 E CB -0.022 29.667 29.700 -0.019 0.000 0.752 503 E HN 0.373 nan 8.360 nan 0.000 0.466 504 I N 0.668 121.242 120.570 0.006 0.000 2.286 504 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 504 I C 2.299 178.406 176.117 -0.016 0.000 1.104 504 I CA 0.709 62.023 61.300 0.023 0.000 1.397 504 I CB -0.095 37.943 38.000 0.064 0.000 1.072 504 I HN -0.026 nan 8.210 nan 0.000 0.417 505 V N 0.789 120.694 119.914 -0.015 0.000 2.407 505 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 505 V C 2.288 178.429 176.094 0.078 0.000 1.055 505 V CA 1.816 64.097 62.300 -0.032 0.000 1.049 505 V CB -0.691 31.128 31.823 -0.007 0.000 0.662 505 V HN 0.439 nan 8.190 nan 0.000 0.455 506 E N -0.121 120.132 120.200 0.088 0.000 2.110 506 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 506 E C 2.112 178.800 176.600 0.146 0.000 0.988 506 E CA 1.164 57.647 56.400 0.137 0.000 0.804 506 E CB -0.204 29.527 29.700 0.052 0.000 0.745 506 E HN 0.416 nan 8.360 nan 0.000 0.458 507 L N 1.354 122.643 121.223 0.110 0.000 2.141 507 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 507 L C 2.332 179.277 176.870 0.125 0.000 1.094 507 L CA 1.571 56.511 54.840 0.166 0.000 0.763 507 L CB -0.252 41.919 42.059 0.187 0.000 0.908 507 L HN -0.064 nan 8.230 nan 0.000 0.437 508 R N -1.854 118.597 120.500 -0.081 0.000 2.066 508 R HA -0.217 4.123 4.340 -0.000 0.000 0.232 508 R C 2.279 178.525 176.300 -0.090 0.000 1.131 508 R CA 1.856 57.809 56.100 -0.246 0.000 0.955 508 R CB -0.552 29.384 30.300 -0.606 0.000 0.851 508 R HN 0.358 nan 8.270 nan 0.000 0.432 509 Y N 0.981 121.288 120.300 0.013 0.000 2.333 509 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 509 Y C 2.379 178.322 175.900 0.072 0.000 1.144 509 Y CA 1.733 59.864 58.100 0.052 0.000 1.228 509 Y CB -0.177 38.308 38.460 0.042 0.000 0.985 509 Y HN 0.125 nan 8.280 nan 0.000 0.542 510 K N -0.683 119.841 120.400 0.208 0.000 2.148 510 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 510 K C 1.018 177.609 176.600 -0.016 0.000 1.050 510 K CA 1.281 57.616 56.287 0.079 0.000 0.942 510 K CB -0.277 32.243 32.500 0.034 0.000 0.724 510 K HN 0.243 nan 8.250 nan 0.000 0.446 511 F N 0.154 120.173 119.950 0.115 0.000 2.727 511 F HA 0.089 4.616 4.527 -0.000 0.000 0.302 511 F C 1.418 177.344 175.800 0.210 0.000 1.097 511 F CA -0.337 57.776 58.000 0.188 0.000 1.330 511 F CB 0.221 39.395 39.000 0.290 0.000 1.084 511 F HN -0.018 nan 8.300 nan 0.000 0.578 512 L N 1.614 123.000 121.223 0.271 0.000 2.021 512 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 512 L C -0.698 176.290 176.870 0.196 0.000 1.074 512 L CA 2.372 57.320 54.840 0.180 0.000 0.760 512 L CB -1.530 40.608 42.059 0.131 0.000 0.889 512 L HN -0.068 nan 8.230 nan 0.000 0.433 513 P HA -0.241 nan 4.420 nan 0.000 0.216 513 P C 1.243 178.833 177.300 0.483 0.000 1.153 513 P CA 1.512 64.844 63.100 0.387 0.000 0.858 513 P CB -0.234 31.709 31.700 0.404 0.000 0.789 514 Y N 0.132 120.615 120.300 0.306 0.000 2.163 514 Y HA -0.126 4.423 4.550 -0.000 0.000 0.288 514 Y C 2.066 178.132 175.900 0.277 0.000 1.136 514 Y CA 1.136 59.425 58.100 0.314 0.000 1.147 514 Y CB -1.095 37.525 38.460 0.267 0.000 0.987 514 Y HN -0.176 nan 8.280 nan 0.000 0.509 515 I N -0.995 119.653 120.570 0.130 0.000 2.163 515 I HA -0.361 3.809 4.170 -0.000 0.000 0.243 515 I C 2.109 178.133 176.117 -0.155 0.000 1.085 515 I CA 1.810 63.081 61.300 -0.049 0.000 1.347 515 I CB -0.630 37.426 38.000 0.093 0.000 1.044 515 I HN 0.208 nan 8.210 nan 0.000 0.408 516 Y N 1.472 121.591 120.300 -0.303 0.000 2.274 516 Y HA -0.219 4.331 4.550 -0.000 0.000 0.290 516 Y C 2.766 178.552 175.900 -0.190 0.000 1.145 516 Y CA 1.271 59.084 58.100 -0.479 0.000 1.203 516 Y CB -0.331 37.797 38.460 -0.554 0.000 0.984 516 Y HN 0.083 nan 8.280 nan 0.000 0.533 517 S N 0.037 115.773 115.700 0.061 0.000 2.383 517 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 517 S C 2.069 176.617 174.600 -0.087 0.000 1.026 517 S CA 1.384 59.621 58.200 0.062 0.000 0.981 517 S CB -0.450 62.971 63.200 0.368 0.000 0.818 517 S HN 0.431 nan 8.310 nan 0.000 0.472 518 L N 1.014 122.175 121.223 -0.103 0.000 2.141 518 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 518 L C 2.727 179.531 176.870 -0.110 0.000 1.094 518 L CA 0.937 55.700 54.840 -0.128 0.000 0.763 518 L CB -0.635 41.286 42.059 -0.230 0.000 0.908 518 L HN 0.314 nan 8.230 nan 0.000 0.437 519 A N 0.201 122.916 122.820 -0.176 0.000 1.898 519 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 519 A C 2.207 179.715 177.584 -0.128 0.000 1.181 519 A CA 1.545 53.541 52.037 -0.068 0.000 0.620 519 A CB -0.592 18.152 19.000 -0.427 0.000 0.819 519 A HN 0.325 nan 8.150 nan 0.000 0.442 520 L N 0.161 121.193 121.223 -0.318 0.000 2.046 520 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 520 L C 2.233 178.998 176.870 -0.175 0.000 1.077 520 L CA 2.698 57.382 54.840 -0.260 0.000 0.747 520 L CB -0.635 41.259 42.059 -0.275 0.000 0.896 520 L HN 0.594 nan 8.230 nan 0.000 0.432 521 E N -0.576 119.522 120.200 -0.169 0.000 2.110 521 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 521 E C 2.055 178.539 176.600 -0.194 0.000 0.988 521 E CA 1.137 57.434 56.400 -0.171 0.000 0.804 521 E CB -0.144 29.491 29.700 -0.109 0.000 0.745 521 E HN 0.646 nan 8.360 nan 0.000 0.458 522 A N 0.955 123.694 122.820 -0.134 0.000 1.877 522 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 522 A C 2.336 179.807 177.584 -0.189 0.000 1.186 522 A CA 2.123 54.058 52.037 -0.170 0.000 0.620 522 A CB -0.790 18.096 19.000 -0.190 0.000 0.822 522 A HN 0.446 nan 8.150 nan 0.000 0.443 523 S N -0.395 115.238 115.700 -0.111 0.000 2.474 523 S HA -0.102 4.368 4.470 -0.000 0.000 0.235 523 S C 1.466 175.993 174.600 -0.121 0.000 0.997 523 S CA 1.328 59.472 58.200 -0.094 0.000 0.949 523 S CB -0.263 62.921 63.200 -0.027 0.000 0.766 523 S HN 0.699 nan 8.310 nan 0.000 0.517 524 E N 0.924 121.031 120.200 -0.155 0.000 2.201 524 E HA 0.149 4.498 4.350 -0.000 0.000 0.193 524 E C 1.566 178.039 176.600 -0.211 0.000 0.957 524 E CA 0.468 56.772 56.400 -0.159 0.000 0.858 524 E CB 0.139 29.747 29.700 -0.153 0.000 0.816 524 E HN 0.519 nan 8.360 nan 0.000 0.475 525 K N -0.749 119.463 120.400 -0.313 0.000 2.402 525 K HA 0.191 4.511 4.320 -0.000 0.000 0.203 525 K C 0.625 177.006 176.600 -0.365 0.000 1.077 525 K CA 0.465 56.500 56.287 -0.420 0.000 1.051 525 K CB 1.777 33.815 32.500 -0.770 0.000 0.907 525 K HN 0.171 nan 8.250 nan 0.000 0.554 526 G N 2.405 111.034 108.800 -0.284 0.000 2.147 526 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 526 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 526 G C -0.566 174.316 174.900 -0.030 0.000 1.005 526 G CA -0.053 44.944 45.100 -0.172 0.000 0.713 526 G HN 0.511 nan 8.290 nan 0.000 0.515 527 H N 1.330 120.332 119.070 -0.112 0.000 2.580 527 H HA 0.366 4.921 4.556 -0.000 0.000 0.322 527 H C -1.867 173.348 175.328 -0.189 0.000 1.082 527 H CA -1.642 54.351 56.048 -0.092 0.000 1.383 527 H CB 1.427 31.155 29.762 -0.057 0.000 1.450 527 H HN 0.197 nan 8.280 nan 0.000 0.505 528 P HA -0.062 nan 4.420 nan 0.000 0.274 528 P C 0.705 177.879 177.300 -0.210 0.000 1.231 528 P CA -0.147 62.810 63.100 -0.238 0.000 0.790 528 P CB 1.726 33.236 31.700 -0.316 0.000 0.951 529 V N 3.048 122.881 119.914 -0.135 0.000 2.239 529 V HA -0.133 3.987 4.120 -0.000 0.000 0.242 529 V C 1.501 177.561 176.094 -0.056 0.000 1.038 529 V CA 1.563 63.830 62.300 -0.055 0.000 1.002 529 V CB -0.872 31.004 31.823 0.089 0.000 0.641 529 V HN 0.513 nan 8.190 nan 0.000 0.449 530 I N -0.359 120.195 120.570 -0.026 0.000 2.428 530 I HA 0.646 4.816 4.170 -0.000 0.000 0.296 530 I C -0.292 175.752 176.117 -0.122 0.000 0.985 530 I CA -0.545 60.777 61.300 0.038 0.000 1.260 530 I CB 1.087 39.138 38.000 0.084 0.000 1.389 530 I HN 0.092 nan 8.210 nan 0.000 0.484 531 R N 4.653 125.102 120.500 -0.086 0.000 2.698 531 R HA 0.558 4.898 4.340 -0.000 0.000 0.275 531 R C -2.838 173.362 176.300 -0.166 0.000 1.001 531 R CA -1.822 54.125 56.100 -0.257 0.000 0.896 531 R CB 1.876 31.882 30.300 -0.489 0.000 1.218 531 R HN 0.467 nan 8.270 nan 0.000 0.462 532 P HA 0.081 nan 4.420 nan 0.000 0.274 532 P C 0.578 177.634 177.300 -0.406 0.000 1.237 532 P CA -0.352 62.477 63.100 -0.452 0.000 0.793 532 P CB 0.892 32.007 31.700 -0.977 0.000 0.977 533 L N 1.074 122.158 121.223 -0.230 0.000 2.079 533 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 533 L C 2.450 179.346 176.870 0.043 0.000 1.081 533 L CA 1.847 56.688 54.840 0.001 0.000 0.752 533 L CB -1.143 40.924 42.059 0.013 0.000 0.896 533 L HN 0.379 nan 8.230 nan 0.000 0.433 534 F N -1.710 118.184 119.950 -0.094 0.000 2.494 534 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 534 F C 2.311 178.044 175.800 -0.110 0.000 1.106 534 F CA 0.388 58.199 58.000 -0.316 0.000 1.452 534 F CB -1.422 36.876 39.000 -1.171 0.000 1.085 534 F HN -0.038 nan 8.300 nan 0.000 0.569 535 Y N 1.517 121.674 120.300 -0.238 0.000 2.220 535 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 535 Y C 2.090 177.911 175.900 -0.131 0.000 1.129 535 Y CA 1.863 59.896 58.100 -0.111 0.000 1.161 535 Y CB -0.177 38.149 38.460 -0.224 0.000 0.997 535 Y HN 0.016 nan 8.280 nan 0.000 0.522 536 E N -0.744 119.458 120.200 0.003 0.000 2.318 536 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 536 E C -0.355 175.759 176.600 -0.810 0.000 0.998 536 E CA 0.486 56.637 56.400 -0.416 0.000 0.859 536 E CB 0.116 29.495 29.700 -0.535 0.000 0.812 536 E HN 0.455 nan 8.360 nan 0.000 0.492 537 F N 1.227 121.214 119.950 0.061 0.000 2.577 537 F HA 0.181 4.708 4.527 -0.000 0.000 0.342 537 F C 1.451 177.300 175.800 0.082 0.000 1.479 537 F CA -0.514 57.530 58.000 0.074 0.000 1.110 537 F CB 0.285 39.341 39.000 0.093 0.000 1.306 537 F HN -0.140 nan 8.300 nan 0.000 0.554 538 Q N 0.023 119.920 119.800 0.161 0.000 2.364 538 Q HA -0.169 4.171 4.340 -0.000 0.000 0.209 538 Q C 0.870 177.068 176.000 0.330 0.000 0.977 538 Q CA 1.874 57.824 55.803 0.244 0.000 0.885 538 Q CB -0.260 28.584 28.738 0.177 0.000 0.941 538 Q HN 0.558 nan 8.270 nan 0.000 0.464 539 D N 0.191 120.741 120.400 0.249 0.000 2.349 539 D HA -0.064 4.576 4.640 -0.000 0.000 0.215 539 D C -0.377 176.069 176.300 0.243 0.000 1.016 539 D CA 0.075 54.208 54.000 0.222 0.000 0.870 539 D CB 0.006 40.900 40.800 0.156 0.000 0.917 539 D HN 0.187 nan 8.370 nan 0.000 0.524 540 D N 0.853 121.425 120.400 0.287 0.000 2.427 540 D HA 0.082 4.722 4.640 -0.000 0.000 0.226 540 D C 0.558 177.044 176.300 0.311 0.000 1.076 540 D CA -0.532 53.615 54.000 0.244 0.000 0.849 540 D CB 1.267 42.183 40.800 0.193 0.000 1.052 540 D HN -0.298 nan 8.370 nan 0.000 0.515 541 D N 2.754 123.328 120.400 0.290 0.000 2.190 541 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 541 D C 0.923 177.392 176.300 0.281 0.000 0.992 541 D CA 1.001 55.189 54.000 0.314 0.000 0.854 541 D CB 0.189 41.143 40.800 0.257 0.000 0.936 541 D HN 0.539 nan 8.370 nan 0.000 0.462 542 D N -0.021 120.493 120.400 0.190 0.000 2.133 542 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 542 D C 2.044 178.422 176.300 0.130 0.000 0.997 542 D CA 0.719 54.799 54.000 0.132 0.000 0.840 542 D CB -0.159 40.686 40.800 0.075 0.000 0.947 542 D HN 0.135 nan 8.370 nan 0.000 0.452 543 M N -0.526 119.149 119.600 0.124 0.000 2.267 543 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 543 M C 1.334 177.667 176.300 0.056 0.000 1.063 543 M CA 1.105 56.436 55.300 0.051 0.000 1.090 543 M CB -1.011 31.603 32.600 0.024 0.000 1.392 543 M HN 0.209 nan 8.290 nan 0.000 0.422 544 Y N -0.295 120.040 120.300 0.057 0.000 2.578 544 Y HA 0.010 4.560 4.550 -0.000 0.000 0.297 544 Y C 1.905 177.855 175.900 0.083 0.000 1.176 544 Y CA 0.463 58.569 58.100 0.009 0.000 1.315 544 Y CB -0.196 38.003 38.460 -0.435 0.000 1.031 544 Y HN 0.114 nan 8.280 nan 0.000 0.524 545 R N -0.553 120.068 120.500 0.202 0.000 2.437 545 R HA 0.208 4.547 4.340 -0.000 0.000 0.257 545 R C -0.473 175.902 176.300 0.125 0.000 0.927 545 R CA -0.083 56.112 56.100 0.159 0.000 1.078 545 R CB 0.196 30.574 30.300 0.131 0.000 1.161 545 R HN 0.143 nan 8.270 nan 0.000 0.529 546 I N 1.809 122.445 120.570 0.111 0.000 2.337 546 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 546 I C 0.986 177.156 176.117 0.088 0.000 1.046 546 I CA 0.319 61.660 61.300 0.068 0.000 1.324 546 I CB 0.943 38.953 38.000 0.016 0.000 1.409 546 I HN 0.044 nan 8.210 nan 0.000 0.494 547 E N 2.911 123.165 120.200 0.090 0.000 2.641 547 E HA 0.034 4.384 4.350 -0.000 0.000 0.224 547 E C -0.186 176.475 176.600 0.102 0.000 0.951 547 E CA 0.203 56.665 56.400 0.104 0.000 1.102 547 E CB 0.605 30.380 29.700 0.125 0.000 1.091 547 E HN 0.669 nan 8.360 nan 0.000 0.507 548 D N 0.921 121.370 120.400 0.081 0.000 2.427 548 D HA 0.134 4.774 4.640 -0.000 0.000 0.224 548 D C -0.005 176.338 176.300 0.071 0.000 1.157 548 D CA -0.018 54.032 54.000 0.083 0.000 0.828 548 D CB 0.090 40.922 40.800 0.053 0.000 0.974 548 D HN -0.011 nan 8.370 nan 0.000 0.498 549 E N -0.284 119.973 120.200 0.094 0.000 2.367 549 E HA 0.505 4.855 4.350 -0.000 0.000 0.273 549 E C -1.351 175.370 176.600 0.202 0.000 0.903 549 E CA -1.227 55.209 56.400 0.059 0.000 0.764 549 E CB 2.199 31.871 29.700 -0.047 0.000 1.252 549 E HN 0.229 nan 8.360 nan 0.000 0.446 550 Y N -1.117 119.209 120.300 0.043 0.000 2.581 550 Y HA 0.559 5.109 4.550 -0.000 0.000 0.337 550 Y C -1.353 174.601 175.900 0.091 0.000 1.108 550 Y CA -1.456 56.680 58.100 0.059 0.000 1.033 550 Y CB 0.947 39.477 38.460 0.116 0.000 1.318 550 Y HN 0.247 nan 8.280 nan 0.000 0.459 551 M N 3.085 122.800 119.600 0.193 0.000 2.318 551 M HA 0.465 4.945 4.480 -0.000 0.000 0.347 551 M C -1.060 175.320 176.300 0.134 0.000 1.175 551 M CA -0.914 54.457 55.300 0.118 0.000 1.075 551 M CB 1.676 34.352 32.600 0.126 0.000 1.614 551 M HN 0.616 nan 8.290 nan 0.000 0.456 552 V N 2.857 122.795 119.914 0.039 0.000 2.293 552 V HA 0.638 4.758 4.120 -0.000 0.000 0.275 552 V C 0.785 176.897 176.094 0.030 0.000 1.021 552 V CA 0.155 62.467 62.300 0.019 0.000 0.815 552 V CB 0.290 31.988 31.823 -0.209 0.000 1.025 552 V HN 1.156 nan 8.190 nan 0.000 0.448 553 G N 4.753 113.518 108.800 -0.059 0.000 2.562 553 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.250 553 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.250 553 G C 0.604 175.458 174.900 -0.076 0.000 1.269 553 G CA 0.556 45.594 45.100 -0.104 0.000 0.919 553 G HN 0.728 nan 8.290 nan 0.000 0.574 554 K N -0.834 119.441 120.400 -0.208 0.000 2.352 554 K HA 0.288 4.608 4.320 -0.000 0.000 0.194 554 K C 1.791 178.392 176.600 0.001 0.000 1.038 554 K CA 0.972 57.146 56.287 -0.189 0.000 1.023 554 K CB 0.009 32.299 32.500 -0.350 0.000 0.840 554 K HN 0.513 nan 8.250 nan 0.000 0.519 555 Y N -0.045 120.347 120.300 0.154 0.000 2.524 555 Y HA 0.251 4.801 4.550 -0.000 0.000 0.270 555 Y C 0.532 176.515 175.900 0.139 0.000 1.094 555 Y CA -0.434 57.715 58.100 0.083 0.000 1.276 555 Y CB 0.292 38.717 38.460 -0.058 0.000 1.130 555 Y HN -0.104 nan 8.280 nan 0.000 0.536 556 L N 1.368 122.752 121.223 0.268 0.000 2.296 556 L HA 0.500 4.840 4.340 -0.000 0.000 0.286 556 L C -1.157 175.789 176.870 0.126 0.000 1.023 556 L CA -0.838 54.084 54.840 0.136 0.000 0.812 556 L CB 1.579 43.552 42.059 -0.144 0.000 1.223 556 L HN 0.050 nan 8.230 nan 0.000 0.421 557 L N 5.275 126.633 121.223 0.226 0.000 2.272 557 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 557 L C -1.604 175.333 176.870 0.112 0.000 1.032 557 L CA -0.548 54.354 54.840 0.103 0.000 0.810 557 L CB 1.158 43.164 42.059 -0.088 0.000 1.205 557 L HN 0.610 nan 8.230 nan 0.000 0.422 558 Y N 4.834 125.004 120.300 -0.217 0.000 2.331 558 Y HA 0.643 5.192 4.550 -0.000 0.000 0.334 558 Y C -0.554 175.259 175.900 -0.145 0.000 0.960 558 Y CA -1.433 56.548 58.100 -0.198 0.000 1.130 558 Y CB 1.861 40.081 38.460 -0.399 0.000 1.164 558 Y HN 0.561 nan 8.280 nan 0.000 0.458 559 A N 9.486 132.171 122.820 -0.224 0.000 2.786 559 A HA 0.482 4.802 4.320 -0.000 0.000 0.346 559 A C -2.825 174.507 177.584 -0.420 0.000 1.265 559 A CA -1.714 50.171 52.037 -0.254 0.000 0.858 559 A CB -0.440 18.532 19.000 -0.047 0.000 1.118 559 A HN 0.523 nan 8.150 nan 0.000 0.482 560 P HA 0.087 nan 4.420 nan 0.000 0.269 560 P C -0.282 176.939 177.300 -0.132 0.000 1.209 560 P CA 0.307 63.099 63.100 -0.512 0.000 0.776 560 P CB 0.849 32.310 31.700 -0.398 0.000 0.876 561 I N 3.175 123.732 120.570 -0.021 0.000 2.363 561 I HA -0.002 4.168 4.170 -0.000 0.000 0.292 561 I C 1.327 177.504 176.117 0.100 0.000 1.075 561 I CA -0.255 61.074 61.300 0.047 0.000 1.333 561 I CB 0.774 38.818 38.000 0.074 0.000 1.415 561 I HN 0.172 nan 8.210 nan 0.000 0.502 562 V N 2.795 122.773 119.914 0.106 0.000 3.039 562 V HA 0.357 4.477 4.120 -0.000 0.000 0.369 562 V C 0.358 176.618 176.094 0.278 0.000 1.344 562 V CA -0.114 62.288 62.300 0.171 0.000 1.270 562 V CB -0.946 30.939 31.823 0.103 0.000 1.284 562 V HN 0.709 nan 8.190 nan 0.000 0.518 563 S N -0.627 115.211 115.700 0.230 0.000 2.705 563 S HA 0.609 5.078 4.470 -0.000 0.000 0.280 563 S C 0.123 174.573 174.600 -0.251 0.000 1.174 563 S CA -0.662 57.519 58.200 -0.032 0.000 0.823 563 S CB 1.914 65.069 63.200 -0.074 0.000 1.162 563 S HN 0.084 nan 8.310 nan 0.000 0.487 564 K N 0.753 120.790 120.400 -0.605 0.000 2.366 564 K HA 0.220 4.540 4.320 -0.000 0.000 0.198 564 K C 0.399 176.901 176.600 -0.164 0.000 1.044 564 K CA 0.459 56.462 56.287 -0.474 0.000 0.973 564 K CB -0.246 31.922 32.500 -0.553 0.000 0.767 564 K HN 0.575 nan 8.250 nan 0.000 0.475 565 E N 0.721 120.845 120.200 -0.126 0.000 2.468 565 E HA -0.143 4.207 4.350 -0.000 0.000 0.263 565 E C 0.656 177.245 176.600 -0.017 0.000 1.192 565 E CA 0.296 56.660 56.400 -0.059 0.000 1.016 565 E CB 0.371 30.046 29.700 -0.043 0.000 0.980 565 E HN 0.205 nan 8.360 nan 0.000 0.467 566 E N -0.047 120.146 120.200 -0.011 0.000 2.415 566 E HA -0.022 4.327 4.350 -0.000 0.000 0.197 566 E C -0.194 176.403 176.600 -0.005 0.000 1.007 566 E CA 0.154 56.551 56.400 -0.005 0.000 0.890 566 E CB 0.483 30.177 29.700 -0.009 0.000 0.891 566 E HN 0.410 nan 8.360 nan 0.000 0.496 567 S N -0.588 115.113 115.700 0.001 0.000 2.638 567 S HA 0.668 5.138 4.470 -0.000 0.000 0.274 567 S C -0.704 173.905 174.600 0.015 0.000 1.157 567 S CA -1.124 57.084 58.200 0.014 0.000 0.826 567 S CB 2.093 65.303 63.200 0.017 0.000 1.139 567 S HN 0.251 nan 8.310 nan 0.000 0.474 568 R N -0.020 120.496 120.500 0.027 0.000 2.781 568 R HA 0.699 5.039 4.340 -0.000 0.000 0.269 568 R C -1.547 174.764 176.300 0.018 0.000 1.025 568 R CA -1.197 54.914 56.100 0.018 0.000 0.914 568 R CB 0.678 30.989 30.300 0.018 0.000 1.236 568 R HN 0.560 nan 8.270 nan 0.000 0.465 569 L N 1.586 122.810 121.223 0.003 0.000 2.305 569 L HA 0.453 4.793 4.340 -0.000 0.000 0.281 569 L C -0.628 176.222 176.870 -0.032 0.000 1.085 569 L CA -1.020 53.813 54.840 -0.011 0.000 0.813 569 L CB 1.687 43.737 42.059 -0.014 0.000 1.157 569 L HN 0.341 nan 8.230 nan 0.000 0.436 570 V N 2.169 122.045 119.914 -0.063 0.000 2.409 570 V HA 0.279 4.399 4.120 -0.000 0.000 0.291 570 V C 0.134 176.102 176.094 -0.209 0.000 1.020 570 V CA -0.539 61.678 62.300 -0.138 0.000 0.848 570 V CB 1.861 33.577 31.823 -0.179 0.000 0.990 570 V HN 0.721 nan 8.190 nan 0.000 0.430 571 T N 6.992 121.417 114.554 -0.215 0.000 2.743 571 T HA 0.558 4.908 4.350 -0.000 0.000 0.293 571 T C -0.197 174.270 174.700 -0.388 0.000 0.945 571 T CA -0.096 61.865 62.100 -0.232 0.000 1.030 571 T CB 0.280 69.055 68.868 -0.155 0.000 0.912 571 T HN 0.337 nan 8.240 nan 0.000 0.483 572 L N 6.346 127.307 121.223 -0.436 0.000 2.295 572 L HA 0.435 4.775 4.340 -0.000 0.000 0.285 572 L C -2.167 174.415 176.870 -0.479 0.000 1.035 572 L CA -2.377 52.052 54.840 -0.684 0.000 0.806 572 L CB 1.483 43.120 42.059 -0.705 0.000 1.214 572 L HN 0.335 nan 8.230 nan 0.000 0.426 573 P HA 0.122 nan 4.420 nan 0.000 0.277 573 P C -0.630 176.607 177.300 -0.105 0.000 1.276 573 P CA -0.743 62.044 63.100 -0.522 0.000 0.788 573 P CB 0.462 31.328 31.700 -1.390 0.000 1.114 574 R N 0.306 120.739 120.500 -0.112 0.000 2.697 574 R HA 0.357 4.697 4.340 -0.000 0.000 0.265 574 R C 0.395 176.824 176.300 0.214 0.000 1.009 574 R CA 1.511 57.670 56.100 0.099 0.000 1.099 574 R CB -0.883 29.499 30.300 0.136 0.000 0.965 574 R HN 0.803 nan 8.270 nan 0.000 0.428 575 G N 2.001 110.895 108.800 0.156 0.000 2.525 575 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.685 575 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.685 575 G C -1.423 173.461 174.900 -0.028 0.000 1.290 575 G CA -0.750 44.367 45.100 0.028 0.000 0.915 575 G HN 0.563 nan 8.290 nan 0.000 0.548 576 K N -0.723 119.558 120.400 -0.198 0.000 2.130 576 K HA 0.593 4.913 4.320 -0.000 0.000 0.268 576 K C -1.081 175.341 176.600 -0.298 0.000 0.983 576 K CA -0.357 55.887 56.287 -0.071 0.000 0.893 576 K CB 1.435 33.962 32.500 0.044 0.000 1.066 576 K HN 0.450 nan 8.250 nan 0.000 0.450 577 W N 1.827 123.267 121.300 0.233 0.000 2.785 577 W HA 0.253 4.913 4.660 -0.000 0.000 0.333 577 W C -0.880 175.869 176.519 0.382 0.000 1.062 577 W CA -0.724 56.808 57.345 0.312 0.000 1.233 577 W CB 0.849 30.422 29.460 0.188 0.000 1.413 577 W HN 0.431 nan 8.180 nan 0.000 0.489 578 Y N 4.058 124.641 120.300 0.471 0.000 2.335 578 Y HA 0.347 4.897 4.550 -0.000 0.000 0.339 578 Y C 0.138 176.171 175.900 0.220 0.000 0.987 578 Y CA -1.000 57.214 58.100 0.189 0.000 1.140 578 Y CB 0.687 39.051 38.460 -0.160 0.000 1.173 578 Y HN 0.395 nan 8.280 nan 0.000 0.486 579 N N 5.446 123.933 118.700 -0.355 0.000 2.431 579 N HA -0.110 4.629 4.740 -0.000 0.000 0.265 579 N C 0.598 175.616 175.510 -0.821 0.000 1.184 579 N CA 0.349 53.123 53.050 -0.460 0.000 0.943 579 N CB 0.192 38.527 38.487 -0.253 0.000 1.080 579 N HN 0.957 nan 8.380 nan 0.000 0.477 580 Y N 4.559 124.446 120.300 -0.688 0.000 2.256 580 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 580 Y C 0.846 176.320 175.900 -0.711 0.000 1.155 580 Y CA 1.699 59.398 58.100 -0.668 0.000 1.203 580 Y CB 0.017 38.074 38.460 -0.672 0.000 0.980 580 Y HN 0.646 nan 8.280 nan 0.000 0.530 581 W N -0.099 120.960 121.300 -0.401 0.000 2.588 581 W HA 0.029 4.689 4.660 -0.000 0.000 0.277 581 W C 1.789 178.105 176.519 -0.337 0.000 1.221 581 W CA 0.743 57.836 57.345 -0.420 0.000 1.355 581 W CB -0.350 28.881 29.460 -0.383 0.000 1.083 581 W HN 0.213 nan 8.180 nan 0.000 0.581 582 N N -0.527 118.112 118.700 -0.103 0.000 2.184 582 N HA 0.206 4.946 4.740 -0.000 0.000 0.206 582 N C 1.421 176.819 175.510 -0.186 0.000 1.151 582 N CA 0.646 53.636 53.050 -0.101 0.000 0.878 582 N CB 0.147 38.614 38.487 -0.033 0.000 1.014 582 N HN 0.099 nan 8.380 nan 0.000 0.512 583 G N 0.223 108.786 108.800 -0.395 0.000 2.220 583 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.269 583 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.269 583 G C -0.116 174.641 174.900 -0.238 0.000 0.977 583 G CA 0.572 45.433 45.100 -0.398 0.000 0.634 583 G HN 0.763 nan 8.290 nan 0.000 0.539 584 E N 0.336 120.426 120.200 -0.184 0.000 2.413 584 E HA 0.426 4.776 4.350 -0.000 0.000 0.263 584 E C 0.271 176.885 176.600 0.023 0.000 1.015 584 E CA -0.375 56.002 56.400 -0.038 0.000 0.916 584 E CB 0.216 29.917 29.700 0.002 0.000 0.947 584 E HN 0.402 nan 8.360 nan 0.000 0.440 585 I N 4.776 125.414 120.570 0.113 0.000 2.441 585 I HA 0.325 4.495 4.170 -0.000 0.000 0.295 585 I C -0.351 175.881 176.117 0.191 0.000 0.994 585 I CA -0.963 60.454 61.300 0.196 0.000 1.144 585 I CB 1.337 39.456 38.000 0.197 0.000 1.314 585 I HN 0.467 nan 8.210 nan 0.000 0.445 586 I N 4.675 125.397 120.570 0.252 0.000 2.689 586 I HA 0.327 4.497 4.170 -0.000 0.000 0.299 586 I C -0.287 175.974 176.117 0.241 0.000 1.059 586 I CA -0.821 60.607 61.300 0.212 0.000 1.055 586 I CB 1.854 39.966 38.000 0.187 0.000 1.243 586 I HN 0.498 nan 8.210 nan 0.000 0.425 587 N N 2.819 121.622 118.700 0.171 0.000 2.488 587 N HA 0.242 4.982 4.740 -0.000 0.000 0.274 587 N C 0.347 175.966 175.510 0.181 0.000 1.111 587 N CA 0.036 53.184 53.050 0.163 0.000 0.974 587 N CB 1.753 40.304 38.487 0.106 0.000 1.089 587 N HN 0.851 nan 8.380 nan 0.000 0.465 588 G N 0.823 109.771 108.800 0.246 0.000 2.699 588 G HA2 0.063 4.023 3.960 -0.000 0.000 0.246 588 G HA3 0.063 4.023 3.960 -0.000 0.000 0.246 588 G C 0.254 175.207 174.900 0.089 0.000 1.219 588 G CA 0.173 45.416 45.100 0.238 0.000 0.866 588 G HN 0.634 nan 8.290 nan 0.000 0.572 589 K N -1.453 118.956 120.400 0.015 0.000 3.549 589 K HA -0.152 4.168 4.320 -0.000 0.000 0.275 589 K C -0.001 176.590 176.600 -0.015 0.000 1.060 589 K CA 1.017 57.296 56.287 -0.014 0.000 0.812 589 K CB -1.652 30.860 32.500 0.021 0.000 1.374 589 K HN 1.632 nan 8.250 nan 0.000 0.455 590 S N -1.956 113.712 115.700 -0.053 0.000 2.611 590 S HA 0.769 5.239 4.470 -0.000 0.000 0.268 590 S C -0.801 173.747 174.600 -0.087 0.000 1.156 590 S CA -0.583 57.590 58.200 -0.045 0.000 0.817 590 S CB 2.201 65.391 63.200 -0.016 0.000 1.122 590 S HN 0.267 nan 8.310 nan 0.000 0.466 591 V N 1.614 121.490 119.914 -0.063 0.000 2.487 591 V HA 0.813 4.933 4.120 -0.000 0.000 0.298 591 V C -0.129 175.932 176.094 -0.055 0.000 1.028 591 V CA -0.265 61.990 62.300 -0.075 0.000 0.860 591 V CB 1.146 32.940 31.823 -0.048 0.000 0.991 591 V HN 1.261 nan 8.190 nan 0.000 0.427 592 V N 1.941 121.812 119.914 -0.071 0.000 3.102 592 V HA 0.701 4.821 4.120 -0.000 0.000 0.312 592 V C -0.538 175.556 176.094 0.001 0.000 1.135 592 V CA -1.163 61.123 62.300 -0.024 0.000 1.022 592 V CB 2.040 33.855 31.823 -0.012 0.000 1.056 592 V HN 0.788 nan 8.190 nan 0.000 0.436 593 K N 1.722 122.143 120.400 0.036 0.000 2.143 593 K HA 0.541 4.860 4.320 -0.000 0.000 0.272 593 K C 0.407 177.067 176.600 0.100 0.000 1.001 593 K CA 0.002 56.319 56.287 0.050 0.000 0.915 593 K CB 1.369 33.892 32.500 0.039 0.000 1.047 593 K HN 1.194 nan 8.250 nan 0.000 0.458 594 S N 1.698 117.464 115.700 0.110 0.000 2.572 594 S HA 0.004 4.474 4.470 -0.000 0.000 0.279 594 S C 0.920 175.591 174.600 0.119 0.000 1.341 594 S CA 0.259 58.557 58.200 0.164 0.000 1.043 594 S CB 1.164 64.449 63.200 0.142 0.000 0.887 594 S HN 0.781 nan 8.310 nan 0.000 0.516 595 T N -1.095 113.541 114.554 0.136 0.000 2.971 595 T HA 0.232 4.582 4.350 -0.000 0.000 0.252 595 T C 0.320 175.072 174.700 0.086 0.000 1.022 595 T CA 0.211 62.369 62.100 0.097 0.000 0.980 595 T CB -0.417 68.511 68.868 0.101 0.000 1.044 595 T HN 0.865 nan 8.240 nan 0.000 0.501 596 H N -0.051 118.994 119.070 -0.041 0.000 2.834 596 H HA 0.519 5.075 4.556 -0.000 0.000 0.369 596 H C 0.787 176.039 175.328 -0.126 0.000 1.174 596 H CA -0.626 55.304 56.048 -0.196 0.000 1.165 596 H CB 1.888 31.346 29.762 -0.507 0.000 1.820 596 H HN -0.062 nan 8.280 nan 0.000 0.558 597 E N 1.297 121.053 120.200 -0.739 0.000 2.204 597 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 597 E C -0.096 176.483 176.600 -0.035 0.000 0.990 597 E CA 0.804 57.001 56.400 -0.338 0.000 0.821 597 E CB 0.232 29.694 29.700 -0.398 0.000 0.750 597 E HN 0.339 nan 8.360 nan 0.000 0.477 598 L N 1.795 123.116 121.223 0.163 0.000 2.387 598 L HA 0.314 4.654 4.340 -0.000 0.000 0.259 598 L C -2.514 174.752 176.870 0.659 0.000 1.050 598 L CA -2.106 53.034 54.840 0.501 0.000 0.922 598 L CB 1.134 43.523 42.059 0.548 0.000 1.280 598 L HN -0.308 nan 8.230 nan 0.000 0.449 599 P HA 0.142 nan 4.420 nan 0.000 0.263 599 P C -0.510 177.046 177.300 0.426 0.000 1.345 599 P CA 0.640 63.974 63.100 0.391 0.000 1.119 599 P CB 0.059 31.954 31.700 0.325 0.000 1.363 600 I N 4.263 124.959 120.570 0.210 0.000 2.433 600 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 600 I C -0.377 175.588 176.117 -0.254 0.000 1.001 600 I CA -0.861 60.482 61.300 0.071 0.000 1.119 600 I CB 1.374 39.329 38.000 -0.075 0.000 1.289 600 I HN 0.194 nan 8.210 nan 0.000 0.438 601 Y N 5.631 126.019 120.300 0.146 0.000 2.442 601 Y HA 0.564 5.114 4.550 -0.000 0.000 0.344 601 Y C -0.488 175.648 175.900 0.393 0.000 0.976 601 Y CA -0.797 57.457 58.100 0.256 0.000 1.040 601 Y CB 1.738 40.347 38.460 0.248 0.000 1.228 601 Y HN 0.258 nan 8.280 nan 0.000 0.451 602 L N 3.606 125.183 121.223 0.590 0.000 2.295 602 L HA 0.566 4.906 4.340 -0.000 0.000 0.285 602 L C 0.213 177.379 176.870 0.493 0.000 1.035 602 L CA -0.876 54.266 54.840 0.503 0.000 0.806 602 L CB 1.597 43.923 42.059 0.445 0.000 1.214 602 L HN 0.597 nan 8.230 nan 0.000 0.426 603 R N 2.231 122.833 120.500 0.170 0.000 2.490 603 R HA 0.087 4.426 4.340 -0.000 0.000 0.280 603 R C 0.031 176.073 176.300 -0.429 0.000 1.077 603 R CA -0.447 55.388 56.100 -0.443 0.000 1.065 603 R CB 0.795 30.842 30.300 -0.421 0.000 1.003 603 R HN 0.607 nan 8.270 nan 0.000 0.470 604 E N 2.222 122.007 120.200 -0.691 0.000 2.328 604 E HA 0.091 4.441 4.350 -0.000 0.000 0.265 604 E C -0.408 175.751 176.600 -0.736 0.000 1.057 604 E CA 0.818 56.518 56.400 -1.167 0.000 0.916 604 E CB 0.226 29.462 29.700 -0.773 0.000 0.993 604 E HN 0.860 nan 8.360 nan 0.000 0.446 605 G N 3.222 111.566 108.800 -0.759 0.000 2.797 605 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.192 605 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.192 605 G C -0.579 173.954 174.900 -0.612 0.000 1.101 605 G CA -0.155 44.660 45.100 -0.477 0.000 0.930 605 G HN 0.465 nan 8.290 nan 0.000 0.512 606 S N -0.561 114.710 115.700 -0.716 0.000 2.548 606 S HA 0.850 5.320 4.470 -0.000 0.000 0.286 606 S C -0.264 173.844 174.600 -0.820 0.000 1.098 606 S CA -0.722 56.773 58.200 -1.176 0.000 0.930 606 S CB 2.215 65.043 63.200 -0.620 0.000 1.070 606 S HN 0.566 nan 8.310 nan 0.000 0.480 607 I N 2.508 122.499 120.570 -0.965 0.000 2.500 607 I HA 0.457 4.627 4.170 -0.000 0.000 0.286 607 I C -1.390 174.387 176.117 -0.568 0.000 1.063 607 I CA -0.330 60.668 61.300 -0.504 0.000 1.062 607 I CB 1.450 39.283 38.000 -0.278 0.000 1.223 607 I HN 0.465 nan 8.210 nan 0.000 0.435 608 I N 8.289 128.613 120.570 -0.409 0.000 2.439 608 I HA 0.337 4.507 4.170 -0.000 0.000 0.283 608 I C -2.440 173.571 176.117 -0.177 0.000 1.023 608 I CA -1.823 59.213 61.300 -0.441 0.000 1.100 608 I CB 2.332 40.046 38.000 -0.476 0.000 1.238 608 I HN 0.218 nan 8.210 nan 0.000 0.445 609 P HA 0.338 nan 4.420 nan 0.000 0.281 609 P C -1.007 176.350 177.300 0.094 0.000 1.252 609 P CA -0.120 63.058 63.100 0.130 0.000 0.778 609 P CB 1.456 33.349 31.700 0.321 0.000 0.895 610 L N 1.119 122.357 121.223 0.024 0.000 2.286 610 L HA 0.459 4.799 4.340 -0.000 0.000 0.265 610 L C 0.996 177.895 176.870 0.048 0.000 1.012 610 L CA -1.271 53.539 54.840 -0.049 0.000 0.818 610 L CB 1.307 43.247 42.059 -0.198 0.000 1.337 610 L HN 0.372 nan 8.230 nan 0.000 0.438 611 E N 0.501 120.726 120.200 0.042 0.000 2.481 611 E HA 0.110 4.459 4.350 -0.000 0.000 0.263 611 E C 0.662 177.310 176.600 0.080 0.000 0.992 611 E CA 0.897 57.352 56.400 0.091 0.000 0.938 611 E CB 0.379 30.133 29.700 0.090 0.000 0.933 611 E HN 0.776 nan 8.360 nan 0.000 0.453 612 G N 4.366 113.229 108.800 0.104 0.000 2.225 612 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 612 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 612 G C 0.144 175.126 174.900 0.137 0.000 1.060 612 G CA 0.215 45.378 45.100 0.104 0.000 0.833 612 G HN 0.885 nan 8.290 nan 0.000 0.498 613 D N -1.090 119.404 120.400 0.155 0.000 2.983 613 D HA -0.155 4.485 4.640 -0.000 0.000 0.225 613 D C 0.690 177.052 176.300 0.103 0.000 1.174 613 D CA 1.853 55.953 54.000 0.168 0.000 0.831 613 D CB -0.604 40.367 40.800 0.286 0.000 1.104 613 D HN 0.853 nan 8.370 nan 0.000 0.421 614 E N -0.494 119.747 120.200 0.070 0.000 2.392 614 E HA 0.436 4.786 4.350 -0.000 0.000 0.256 614 E C -0.125 176.488 176.600 0.022 0.000 1.145 614 E CA -0.260 56.154 56.400 0.023 0.000 0.929 614 E CB 0.967 30.661 29.700 -0.010 0.000 0.998 614 E HN 0.047 nan 8.360 nan 0.000 0.442 615 L N 2.614 123.838 121.223 0.001 0.000 2.526 615 L HA 0.423 4.763 4.340 -0.000 0.000 0.263 615 L C -1.605 175.242 176.870 -0.039 0.000 0.943 615 L CA -0.081 54.759 54.840 0.000 0.000 0.859 615 L CB 1.596 43.690 42.059 0.057 0.000 1.313 615 L HN 0.424 nan 8.230 nan 0.000 0.406 616 I N 4.969 125.492 120.570 -0.078 0.000 2.404 616 I HA 0.662 4.832 4.170 -0.000 0.000 0.293 616 I C -0.910 175.131 176.117 -0.127 0.000 0.992 616 I CA -0.981 60.261 61.300 -0.096 0.000 1.149 616 I CB 1.968 39.915 38.000 -0.089 0.000 1.315 616 I HN 0.227 nan 8.210 nan 0.000 0.446 617 V N 6.314 126.159 119.914 -0.115 0.000 2.638 617 V HA 0.375 4.494 4.120 -0.000 0.000 0.306 617 V C -1.441 174.609 176.094 -0.073 0.000 1.052 617 V CA -0.733 61.494 62.300 -0.122 0.000 0.885 617 V CB 2.132 33.898 31.823 -0.095 0.000 0.999 617 V HN 0.536 nan 8.190 nan 0.000 0.424 618 Y N 3.924 124.058 120.300 -0.277 0.000 2.317 618 Y HA 0.691 5.241 4.550 -0.000 0.000 0.325 618 Y C 0.195 175.950 175.900 -0.242 0.000 1.066 618 Y CA -0.097 57.840 58.100 -0.272 0.000 1.203 618 Y CB 1.223 39.489 38.460 -0.323 0.000 1.127 618 Y HN 1.148 nan 8.280 nan 0.000 0.451 619 G N 4.716 113.454 108.800 -0.103 0.000 2.632 619 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.224 619 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.224 619 G C -1.112 173.666 174.900 -0.204 0.000 1.341 619 G CA -0.374 44.572 45.100 -0.257 0.000 0.880 619 G HN 0.663 nan 8.290 nan 0.000 0.566 620 E N -0.138 119.943 120.200 -0.198 0.000 2.151 620 E HA 0.661 5.011 4.350 -0.000 0.000 0.275 620 E C 0.048 176.564 176.600 -0.141 0.000 0.936 620 E CA -0.001 56.313 56.400 -0.144 0.000 0.777 620 E CB 2.052 31.692 29.700 -0.101 0.000 1.108 620 E HN 0.727 nan 8.360 nan 0.000 0.401 621 T N 0.821 115.307 114.554 -0.113 0.000 2.663 621 T HA 0.329 4.679 4.350 -0.000 0.000 0.305 621 T C -1.746 172.955 174.700 0.001 0.000 1.660 621 T CA -0.581 61.490 62.100 -0.048 0.000 0.976 621 T CB 1.642 70.458 68.868 -0.087 0.000 1.705 621 T HN 0.264 nan 8.240 nan 0.000 0.494 622 S N 0.820 116.580 115.700 0.099 0.000 2.521 622 S HA 0.837 5.307 4.470 -0.000 0.000 0.295 622 S C -1.856 172.909 174.600 0.274 0.000 1.098 622 S CA -0.559 57.708 58.200 0.111 0.000 0.999 622 S CB 0.826 64.061 63.200 0.057 0.000 1.034 622 S HN 0.593 nan 8.310 nan 0.000 0.483 623 F N 3.763 123.745 119.950 0.054 0.000 2.581 623 F HA 0.565 5.092 4.527 -0.000 0.000 0.311 623 F C -0.843 174.987 175.800 0.050 0.000 1.113 623 F CA -0.724 57.344 58.000 0.115 0.000 0.935 623 F CB 1.581 40.704 39.000 0.205 0.000 1.232 623 F HN 0.538 nan 8.300 nan 0.000 0.445 624 K N 6.251 126.195 120.400 -0.761 0.000 2.281 624 K HA 0.417 4.737 4.320 -0.000 0.000 0.272 624 K C -0.252 175.821 176.600 -0.878 0.000 1.048 624 K CA -0.681 55.247 56.287 -0.598 0.000 0.898 624 K CB 0.932 33.216 32.500 -0.360 0.000 1.128 624 K HN 0.872 nan 8.250 nan 0.000 0.460 625 R N 2.614 122.837 120.500 -0.462 0.000 2.679 625 R HA -0.006 4.334 4.340 -0.000 0.000 0.269 625 R C 0.993 177.171 176.300 -0.204 0.000 1.076 625 R CA 0.048 56.007 56.100 -0.236 0.000 1.160 625 R CB 0.315 30.572 30.300 -0.072 0.000 1.054 625 R HN 0.733 nan 8.270 nan 0.000 0.507 626 Y N 0.446 120.717 120.300 -0.049 0.000 2.315 626 Y HA -0.147 4.402 4.550 -0.000 0.000 0.288 626 Y C 1.042 176.935 175.900 -0.012 0.000 1.154 626 Y CA 1.311 59.361 58.100 -0.083 0.000 1.229 626 Y CB -0.310 38.139 38.460 -0.019 0.000 0.980 626 Y HN 0.619 nan 8.280 nan 0.000 0.540 627 D N -0.004 120.106 120.400 -0.482 0.000 2.325 627 D HA -0.041 4.599 4.640 -0.000 0.000 0.234 627 D C 0.852 177.081 176.300 -0.118 0.000 1.122 627 D CA 0.624 54.481 54.000 -0.238 0.000 0.850 627 D CB -0.846 39.736 40.800 -0.363 0.000 0.921 627 D HN 0.666 nan 8.370 nan 0.000 0.513 628 N N -0.121 118.511 118.700 -0.113 0.000 2.967 628 N HA -0.240 4.500 4.740 -0.000 0.000 0.212 628 N C -0.282 175.180 175.510 -0.080 0.000 0.884 628 N CA 0.953 53.953 53.050 -0.083 0.000 1.030 628 N CB -1.622 36.841 38.487 -0.040 0.000 1.018 628 N HN 0.333 nan 8.380 nan 0.000 0.596 629 A N 1.539 124.311 122.820 -0.079 0.000 2.491 629 A HA 0.365 4.685 4.320 -0.000 0.000 0.261 629 A C 0.129 177.685 177.584 -0.047 0.000 1.101 629 A CA 0.258 52.280 52.037 -0.025 0.000 0.772 629 A CB 0.050 19.064 19.000 0.023 0.000 1.043 629 A HN 0.416 nan 8.150 nan 0.000 0.501 630 E N 1.865 122.042 120.200 -0.038 0.000 2.197 630 E HA 0.505 4.855 4.350 -0.000 0.000 0.281 630 E C -0.856 175.691 176.600 -0.088 0.000 0.995 630 E CA -0.098 56.261 56.400 -0.067 0.000 0.808 630 E CB 1.462 31.126 29.700 -0.060 0.000 1.093 630 E HN 0.632 nan 8.360 nan 0.000 0.394 631 I N 2.117 122.624 120.570 -0.106 0.000 2.474 631 I HA 0.333 4.503 4.170 -0.000 0.000 0.294 631 I C -0.378 175.637 176.117 -0.169 0.000 1.005 631 I CA -0.587 60.547 61.300 -0.277 0.000 1.113 631 I CB 2.132 39.971 38.000 -0.268 0.000 1.289 631 I HN 0.388 nan 8.210 nan 0.000 0.436 632 T N 3.184 117.597 114.554 -0.236 0.000 2.886 632 T HA 0.464 4.814 4.350 -0.000 0.000 0.292 632 T C -0.515 174.097 174.700 -0.148 0.000 1.012 632 T CA -0.776 61.245 62.100 -0.131 0.000 0.982 632 T CB 1.750 70.568 68.868 -0.084 0.000 1.018 632 T HN 0.677 nan 8.240 nan 0.000 0.451 633 S N 1.410 117.043 115.700 -0.112 0.000 2.502 633 S HA 0.861 5.331 4.470 -0.000 0.000 0.304 633 S C 0.013 174.566 174.600 -0.079 0.000 1.097 633 S CA -0.621 57.517 58.200 -0.104 0.000 1.045 633 S CB 1.596 64.723 63.200 -0.120 0.000 1.019 633 S HN 0.825 nan 8.310 nan 0.000 0.481 634 S N 2.506 118.169 115.700 -0.062 0.000 3.137 634 S HA 0.591 5.061 4.470 -0.000 0.000 0.292 634 S C 1.120 175.693 174.600 -0.045 0.000 1.041 634 S CA -0.199 57.971 58.200 -0.050 0.000 0.956 634 S CB -0.098 63.079 63.200 -0.038 0.000 1.360 634 S HN 0.585 nan 8.310 nan 0.000 0.690 635 S N 2.280 117.959 115.700 -0.036 0.000 2.435 635 S HA -0.209 4.261 4.470 -0.000 0.000 0.250 635 S C 0.499 175.080 174.600 -0.031 0.000 1.065 635 S CA 2.505 60.686 58.200 -0.031 0.000 1.243 635 S CB -0.905 62.281 63.200 -0.024 0.000 1.158 635 S HN 0.793 nan 8.310 nan 0.000 0.430 636 N N 0.624 119.307 118.700 -0.027 0.000 2.595 636 N HA 0.343 5.083 4.740 -0.000 0.000 0.291 636 N C -1.033 174.465 175.510 -0.020 0.000 1.706 636 N CA -0.068 52.965 53.050 -0.027 0.000 0.867 636 N CB 1.146 39.616 38.487 -0.028 0.000 1.414 636 N HN 0.434 nan 8.380 nan 0.000 0.492 637 E N 0.747 120.936 120.200 -0.019 0.000 2.343 637 E HA 0.449 4.799 4.350 -0.000 0.000 0.278 637 E C -1.369 175.223 176.600 -0.014 0.000 0.910 637 E CA -0.568 55.829 56.400 -0.005 0.000 0.757 637 E CB 1.708 31.407 29.700 -0.002 0.000 1.218 637 E HN 0.061 nan 8.360 nan 0.000 0.435 638 I N 4.163 124.743 120.570 0.015 0.000 2.420 638 I HA 0.319 4.489 4.170 -0.000 0.000 0.282 638 I C -0.369 175.750 176.117 0.004 0.000 1.019 638 I CA -0.665 60.613 61.300 -0.035 0.000 1.130 638 I CB 1.370 39.375 38.000 0.007 0.000 1.262 638 I HN 0.247 nan 8.210 nan 0.000 0.454 639 K N 5.527 125.866 120.400 -0.100 0.000 2.118 639 K HA 0.632 4.952 4.320 -0.000 0.000 0.267 639 K C -1.236 175.242 176.600 -0.203 0.000 0.991 639 K CA -0.455 55.828 56.287 -0.006 0.000 0.916 639 K CB 1.432 33.927 32.500 -0.008 0.000 1.041 639 K HN 0.221 nan 8.250 nan 0.000 0.455 640 F N 0.334 120.283 119.950 -0.001 0.000 2.507 640 F HA 0.107 4.634 4.527 -0.000 0.000 0.325 640 F C 1.393 177.192 175.800 -0.002 0.000 1.116 640 F CA -0.841 57.160 58.000 0.001 0.000 0.930 640 F CB 1.942 40.941 39.000 -0.001 0.000 1.146 640 F HN 0.617 nan 8.300 nan 0.000 0.447 641 S N 2.515 118.287 115.700 0.120 0.000 2.469 641 S HA -0.034 4.436 4.470 -0.000 0.000 0.238 641 S C 0.494 175.143 174.600 0.081 0.000 0.998 641 S CA 0.545 58.787 58.200 0.069 0.000 0.957 641 S CB -0.310 62.905 63.200 0.025 0.000 0.764 641 S HN 0.770 nan 8.310 nan 0.000 0.514 642 R N -0.254 120.318 120.500 0.121 0.000 2.712 642 R HA 0.388 4.728 4.340 -0.000 0.000 0.272 642 R C -1.429 174.919 176.300 0.079 0.000 1.032 642 R CA -0.931 55.217 56.100 0.080 0.000 0.874 642 R CB 0.516 30.846 30.300 0.050 0.000 1.256 642 R HN 0.137 nan 8.270 nan 0.000 0.468 643 E N 2.474 122.691 120.200 0.028 0.000 2.480 643 E HA 0.180 4.530 4.350 -0.000 0.000 0.258 643 E C -0.450 176.148 176.600 -0.004 0.000 0.984 643 E CA -0.096 56.294 56.400 -0.016 0.000 0.930 643 E CB 0.407 30.099 29.700 -0.013 0.000 0.936 643 E HN 0.436 nan 8.360 nan 0.000 0.466 644 I N 1.563 122.102 120.570 -0.052 0.000 2.894 644 I HA 0.379 4.549 4.170 -0.000 0.000 0.302 644 I C -1.280 174.828 176.117 -0.015 0.000 1.188 644 I CA -1.322 59.982 61.300 0.008 0.000 1.014 644 I CB 1.307 39.350 38.000 0.071 0.000 1.242 644 I HN 0.438 nan 8.210 nan 0.000 0.430 645 Y N 4.477 124.745 120.300 -0.054 0.000 2.336 645 Y HA 0.648 5.198 4.550 -0.000 0.000 0.331 645 Y C -0.783 175.093 175.900 -0.041 0.000 1.211 645 Y CA 0.081 58.149 58.100 -0.053 0.000 1.346 645 Y CB 1.301 39.748 38.460 -0.022 0.000 1.271 645 Y HN 0.442 nan 8.280 nan 0.000 0.538 646 V N 6.467 125.980 119.914 -0.669 0.000 2.524 646 V HA 0.177 4.297 4.120 -0.000 0.000 0.297 646 V C 0.084 175.822 176.094 -0.594 0.000 1.035 646 V CA 0.004 62.059 62.300 -0.410 0.000 0.867 646 V CB 1.156 32.822 31.823 -0.262 0.000 1.004 646 V HN 0.995 nan 8.190 nan 0.000 0.426 647 S N 4.216 119.754 115.700 -0.271 0.000 2.288 647 S HA 0.176 4.646 4.470 -0.000 0.000 0.191 647 S C 0.709 175.251 174.600 -0.096 0.000 1.028 647 S CA 0.265 58.383 58.200 -0.137 0.000 1.030 647 S CB 0.043 63.295 63.200 0.087 0.000 0.932 647 S HN 0.604 nan 8.310 nan 0.000 0.463 648 K N 0.801 121.179 120.400 -0.036 0.000 2.185 648 K HA 0.541 4.861 4.320 -0.000 0.000 0.269 648 K C -1.614 174.968 176.600 -0.030 0.000 0.987 648 K CA -0.823 55.445 56.287 -0.032 0.000 0.865 648 K CB 1.107 33.597 32.500 -0.016 0.000 1.090 648 K HN 0.371 nan 8.250 nan 0.000 0.450 649 L N 3.399 124.605 121.223 -0.029 0.000 2.333 649 L HA 0.459 4.798 4.340 -0.000 0.000 0.280 649 L C -1.237 175.621 176.870 -0.020 0.000 1.004 649 L CA 0.191 55.021 54.840 -0.017 0.000 0.820 649 L CB 2.029 44.084 42.059 -0.006 0.000 1.247 649 L HN 0.615 nan 8.230 nan 0.000 0.416 650 T N 6.587 121.121 114.554 -0.033 0.000 2.792 650 T HA 0.618 4.967 4.350 -0.000 0.000 0.280 650 T C -0.260 174.402 174.700 -0.063 0.000 0.990 650 T CA -0.091 61.980 62.100 -0.049 0.000 0.960 650 T CB 0.740 69.563 68.868 -0.074 0.000 0.939 650 T HN 0.438 nan 8.240 nan 0.000 0.439 651 I N 3.485 124.033 120.570 -0.037 0.000 2.389 651 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 651 I C 0.624 176.692 176.117 -0.081 0.000 0.999 651 I CA -0.827 60.450 61.300 -0.037 0.000 1.129 651 I CB 1.908 39.924 38.000 0.028 0.000 1.288 651 I HN 0.613 nan 8.210 nan 0.000 0.444 652 T N 2.142 116.541 114.554 -0.257 0.000 2.795 652 T HA 0.651 5.001 4.350 -0.000 0.000 0.282 652 T C -0.404 174.150 174.700 -0.244 0.000 0.980 652 T CA -0.576 61.222 62.100 -0.502 0.000 1.012 652 T CB 1.640 69.676 68.868 -1.387 0.000 0.936 652 T HN 0.552 nan 8.240 nan 0.000 0.457 653 S N 1.615 117.270 115.700 -0.075 0.000 2.542 653 S HA 0.292 4.762 4.470 -0.000 0.000 0.276 653 S C 0.402 175.076 174.600 0.125 0.000 1.148 653 S CA -0.704 57.539 58.200 0.073 0.000 0.886 653 S CB 1.707 64.980 63.200 0.121 0.000 1.109 653 S HN 0.826 nan 8.310 nan 0.000 0.458 654 E N 1.620 121.883 120.200 0.104 0.000 2.216 654 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 654 E C -0.093 176.570 176.600 0.105 0.000 0.988 654 E CA 0.631 57.092 56.400 0.101 0.000 0.834 654 E CB 0.169 29.924 29.700 0.091 0.000 0.772 654 E HN 0.408 nan 8.360 nan 0.000 0.479 655 K N 2.331 122.780 120.400 0.082 0.000 2.172 655 K HA 0.218 4.538 4.320 -0.000 0.000 0.276 655 K C -2.398 174.203 176.600 0.001 0.000 1.013 655 K CA -2.067 54.243 56.287 0.038 0.000 0.913 655 K CB 1.004 33.506 32.500 0.004 0.000 1.055 655 K HN -0.076 nan 8.250 nan 0.000 0.461 656 P HA -0.022 nan 4.420 nan 0.000 0.267 656 P C -0.670 176.347 177.300 -0.471 0.000 1.200 656 P CA -0.171 62.786 63.100 -0.238 0.000 0.772 656 P CB 0.661 32.310 31.700 -0.085 0.000 0.855 657 V N 2.450 121.782 119.914 -0.971 0.000 2.409 657 V HA 0.099 4.219 4.120 -0.000 0.000 0.290 657 V C 1.532 177.349 176.094 -0.461 0.000 1.017 657 V CA -0.025 61.891 62.300 -0.641 0.000 0.841 657 V CB 0.946 32.384 31.823 -0.641 0.000 1.003 657 V HN 0.720 nan 8.190 nan 0.000 0.426 658 S N 3.763 119.318 115.700 -0.242 0.000 2.421 658 S HA 0.147 4.617 4.470 -0.000 0.000 0.224 658 S C 0.540 175.083 174.600 -0.096 0.000 1.035 658 S CA 0.266 58.383 58.200 -0.139 0.000 0.953 658 S CB 0.055 63.199 63.200 -0.093 0.000 0.810 658 S HN 0.843 nan 8.310 nan 0.000 0.497 659 K N 0.378 120.721 120.400 -0.096 0.000 2.579 659 K HA 0.658 4.977 4.320 -0.000 0.000 0.284 659 K C -1.392 175.172 176.600 -0.060 0.000 0.990 659 K CA -1.222 55.027 56.287 -0.063 0.000 0.880 659 K CB 1.179 33.651 32.500 -0.047 0.000 1.488 659 K HN 0.313 nan 8.250 nan 0.000 0.425 660 I N -1.462 119.082 120.570 -0.043 0.000 2.785 660 I HA 0.639 4.809 4.170 -0.000 0.000 0.302 660 I C -1.059 175.041 176.117 -0.030 0.000 1.069 660 I CA -1.400 59.879 61.300 -0.034 0.000 1.045 660 I CB 1.902 39.886 38.000 -0.026 0.000 1.236 660 I HN 0.567 nan 8.210 nan 0.000 0.429 661 I N 4.620 125.176 120.570 -0.024 0.000 2.439 661 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 661 I C -0.611 175.492 176.117 -0.022 0.000 1.021 661 I CA -1.015 60.271 61.300 -0.023 0.000 1.091 661 I CB 2.027 40.015 38.000 -0.020 0.000 1.242 661 I HN 0.325 nan 8.210 nan 0.000 0.439 662 V N 5.906 125.799 119.914 -0.035 0.000 2.389 662 V HA 0.107 4.226 4.120 -0.000 0.000 0.264 662 V C 0.204 176.272 176.094 -0.042 0.000 1.049 662 V CA -0.130 62.140 62.300 -0.049 0.000 0.932 662 V CB 0.348 32.127 31.823 -0.074 0.000 1.011 662 V HN 0.850 nan 8.190 nan 0.000 0.475 663 D N 3.972 124.353 120.400 -0.033 0.000 2.699 663 D HA -0.194 4.446 4.640 -0.000 0.000 0.239 663 D C 0.703 176.994 176.300 -0.016 0.000 1.136 663 D CA 1.049 55.035 54.000 -0.023 0.000 0.668 663 D CB -0.697 40.081 40.800 -0.037 0.000 1.060 663 D HN 0.934 nan 8.370 nan 0.000 0.429 664 D N -2.600 117.793 120.400 -0.011 0.000 3.028 664 D HA -0.276 4.364 4.640 -0.000 0.000 0.211 664 D C 1.279 177.570 176.300 -0.014 0.000 1.136 664 D CA 1.901 55.895 54.000 -0.011 0.000 0.987 664 D CB -1.104 39.692 40.800 -0.007 0.000 1.128 664 D HN 0.613 nan 8.370 nan 0.000 0.406 665 S N -0.606 115.083 115.700 -0.018 0.000 2.967 665 S HA 0.122 4.592 4.470 -0.000 0.000 0.167 665 S C 0.756 175.343 174.600 -0.021 0.000 0.696 665 S CA -0.103 58.086 58.200 -0.018 0.000 0.874 665 S CB 0.956 64.144 63.200 -0.019 0.000 0.718 665 S HN 0.177 nan 8.310 nan 0.000 0.634 666 K N 1.802 122.186 120.400 -0.025 0.000 2.494 666 K HA 0.046 4.365 4.320 -0.000 0.000 0.273 666 K C -0.477 176.106 176.600 -0.028 0.000 0.970 666 K CA 0.541 56.811 56.287 -0.027 0.000 0.963 666 K CB 0.174 32.654 32.500 -0.032 0.000 0.913 666 K HN 0.522 nan 8.250 nan 0.000 0.502 667 E N 2.860 123.044 120.200 -0.026 0.000 2.266 667 E HA 0.405 4.755 4.350 -0.000 0.000 0.268 667 E C -1.090 175.494 176.600 -0.028 0.000 0.879 667 E CA -0.782 55.602 56.400 -0.027 0.000 0.762 667 E CB 1.345 31.031 29.700 -0.023 0.000 1.199 667 E HN 0.455 nan 8.360 nan 0.000 0.422 668 I N 2.708 123.260 120.570 -0.029 0.000 2.582 668 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 668 I C -0.280 175.822 176.117 -0.024 0.000 1.066 668 I CA -1.052 60.232 61.300 -0.028 0.000 1.053 668 I CB 1.962 39.941 38.000 -0.034 0.000 1.241 668 I HN 0.292 nan 8.210 nan 0.000 0.421 669 Q N 4.051 123.840 119.800 -0.019 0.000 2.327 669 Q HA 0.368 4.708 4.340 -0.000 0.000 0.254 669 Q C -0.650 175.346 176.000 -0.007 0.000 0.952 669 Q CA -0.306 55.489 55.803 -0.014 0.000 0.884 669 Q CB 2.220 30.952 28.738 -0.009 0.000 1.224 669 Q HN 0.351 nan 8.270 nan 0.000 0.422 670 V N 2.036 121.948 119.914 -0.002 0.000 2.435 670 V HA 0.211 4.331 4.120 -0.000 0.000 0.290 670 V C 0.145 176.274 176.094 0.058 0.000 1.030 670 V CA -0.570 61.744 62.300 0.025 0.000 0.881 670 V CB 1.668 33.495 31.823 0.007 0.000 0.983 670 V HN 0.695 nan 8.190 nan 0.000 0.445 671 E N 4.722 124.964 120.200 0.072 0.000 2.114 671 E HA 0.258 4.608 4.350 -0.000 0.000 0.266 671 E C -0.345 176.309 176.600 0.091 0.000 0.896 671 E CA -0.729 55.712 56.400 0.069 0.000 0.750 671 E CB 1.037 30.754 29.700 0.029 0.000 1.121 671 E HN 0.650 nan 8.360 nan 0.000 0.413 672 K N 3.593 124.074 120.400 0.134 0.000 2.402 672 K HA 0.020 4.340 4.320 -0.000 0.000 0.285 672 K C 0.795 177.355 176.600 -0.067 0.000 1.054 672 K CA 0.539 56.834 56.287 0.013 0.000 1.001 672 K CB 0.547 33.084 32.500 0.061 0.000 0.946 672 K HN 0.577 nan 8.250 nan 0.000 0.473 673 T N 1.680 116.158 114.554 -0.127 0.000 3.044 673 T HA 0.094 4.444 4.350 -0.000 0.000 0.255 673 T C 0.845 175.482 174.700 -0.106 0.000 1.073 673 T CA 0.273 62.317 62.100 -0.094 0.000 1.125 673 T CB -0.215 68.600 68.868 -0.088 0.000 0.908 673 T HN 0.741 nan 8.240 nan 0.000 0.480 674 M N -0.102 119.403 119.600 -0.159 0.000 3.012 674 M HA 0.367 4.847 4.480 -0.000 0.000 0.272 674 M C -1.688 174.505 176.300 -0.178 0.000 1.187 674 M CA -1.307 53.915 55.300 -0.131 0.000 0.813 674 M CB 1.610 34.147 32.600 -0.104 0.000 1.626 674 M HN 0.047 nan 8.290 nan 0.000 0.507 675 Q N 1.479 121.209 119.800 -0.117 0.000 2.304 675 Q HA 0.057 4.397 4.340 -0.000 0.000 0.315 675 Q C -0.475 175.449 176.000 -0.126 0.000 1.075 675 Q CA 0.944 56.685 55.803 -0.104 0.000 0.988 675 Q CB -0.207 28.505 28.738 -0.044 0.000 1.146 675 Q HN 0.824 nan 8.270 nan 0.000 0.383 676 N N 0.484 119.080 118.700 -0.173 0.000 2.732 676 N HA -0.150 4.590 4.740 -0.000 0.000 0.250 676 N C -1.046 174.248 175.510 -0.360 0.000 1.097 676 N CA 1.710 54.661 53.050 -0.166 0.000 0.812 676 N CB -1.473 37.008 38.487 -0.009 0.000 1.148 676 N HN 0.756 nan 8.380 nan 0.000 0.572 677 T N 0.990 115.206 114.554 -0.563 0.000 2.786 677 T HA 0.535 4.884 4.350 -0.000 0.000 0.283 677 T C -0.590 173.680 174.700 -0.717 0.000 0.992 677 T CA -0.360 61.450 62.100 -0.483 0.000 0.954 677 T CB 0.848 69.591 68.868 -0.209 0.000 0.934 677 T HN 0.025 nan 8.240 nan 0.000 0.440 678 Y N 1.420 121.672 120.300 -0.080 0.000 2.350 678 Y HA 0.606 5.156 4.550 -0.000 0.000 0.338 678 Y C -0.122 175.740 175.900 -0.064 0.000 0.961 678 Y CA -1.142 56.920 58.100 -0.062 0.000 1.100 678 Y CB 1.417 39.842 38.460 -0.059 0.000 1.179 678 Y HN 0.332 nan 8.280 nan 0.000 0.454 679 V N 2.708 122.668 119.914 0.077 0.000 2.581 679 V HA 0.885 5.004 4.120 -0.000 0.000 0.303 679 V C -0.458 175.651 176.094 0.026 0.000 1.041 679 V CA -0.925 61.389 62.300 0.024 0.000 0.907 679 V CB 1.692 33.510 31.823 -0.010 0.000 0.994 679 V HN 0.847 nan 8.190 nan 0.000 0.442 680 A N 4.109 126.932 122.820 0.005 0.000 2.357 680 A HA 0.661 4.981 4.320 -0.000 0.000 0.295 680 A C -0.393 177.176 177.584 -0.024 0.000 1.121 680 A CA -0.801 51.231 52.037 -0.007 0.000 0.742 680 A CB 0.961 19.954 19.000 -0.011 0.000 1.181 680 A HN 0.611 nan 8.150 nan 0.000 0.454 681 K N 4.165 124.551 120.400 -0.023 0.000 2.171 681 K HA 0.245 4.565 4.320 -0.000 0.000 0.274 681 K C 0.518 177.088 176.600 -0.050 0.000 1.110 681 K CA 0.036 56.305 56.287 -0.031 0.000 0.952 681 K CB 0.421 32.911 32.500 -0.017 0.000 1.309 681 K HN 0.742 nan 8.250 nan 0.000 0.414 682 I N 0.976 121.496 120.570 -0.084 0.000 2.296 682 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 682 I C 0.141 176.163 176.117 -0.160 0.000 1.087 682 I CA 0.173 61.398 61.300 -0.125 0.000 1.393 682 I CB -0.121 37.780 38.000 -0.165 0.000 1.093 682 I HN 0.591 nan 8.210 nan 0.000 0.421 683 N N 3.232 121.796 118.700 -0.226 0.000 2.686 683 N HA -0.216 4.524 4.740 -0.000 0.000 0.261 683 N C -0.439 174.939 175.510 -0.220 0.000 1.001 683 N CA 0.972 53.895 53.050 -0.212 0.000 0.764 683 N CB -1.137 37.365 38.487 0.024 0.000 0.898 683 N HN 0.729 nan 8.380 nan 0.000 0.544 684 Q N -2.337 117.126 119.800 -0.563 0.000 2.721 684 Q HA 0.354 4.694 4.340 -0.000 0.000 0.282 684 Q C -1.370 174.450 176.000 -0.300 0.000 0.932 684 Q CA -1.102 54.574 55.803 -0.213 0.000 0.816 684 Q CB 1.318 30.002 28.738 -0.090 0.000 1.506 684 Q HN 0.006 nan 8.270 nan 0.000 0.399 685 K N 1.134 121.527 120.400 -0.012 0.000 2.319 685 K HA 0.387 4.707 4.320 -0.000 0.000 0.265 685 K C -0.507 176.001 176.600 -0.154 0.000 1.000 685 K CA 0.123 56.388 56.287 -0.037 0.000 0.943 685 K CB 0.486 33.016 32.500 0.050 0.000 0.950 685 K HN 0.436 nan 8.250 nan 0.000 0.485 686 I N 3.665 124.092 120.570 -0.238 0.000 2.439 686 I HA 0.168 4.338 4.170 -0.000 0.000 0.285 686 I C 1.147 177.113 176.117 -0.251 0.000 1.021 686 I CA -0.793 60.318 61.300 -0.315 0.000 1.091 686 I CB 1.637 39.277 38.000 -0.600 0.000 1.242 686 I HN 0.524 nan 8.210 nan 0.000 0.439 687 R N 4.428 124.843 120.500 -0.142 0.000 2.081 687 R HA -0.008 4.332 4.340 -0.000 0.000 0.235 687 R C 1.295 177.568 176.300 -0.045 0.000 1.131 687 R CA 1.472 57.527 56.100 -0.074 0.000 0.960 687 R CB -0.511 29.765 30.300 -0.040 0.000 0.856 687 R HN 0.845 nan 8.270 nan 0.000 0.436 688 G N 0.011 108.788 108.800 -0.039 0.000 3.462 688 G HA2 0.086 4.046 3.960 -0.000 0.000 0.168 688 G HA3 0.086 4.046 3.960 -0.000 0.000 0.168 688 G C -0.266 174.746 174.900 0.188 0.000 1.220 688 G CA 0.120 45.267 45.100 0.078 0.000 0.862 688 G HN 0.331 nan 8.290 nan 0.000 0.812 689 K N -0.467 119.998 120.400 0.108 0.000 2.607 689 K HA 0.726 5.045 4.320 -0.000 0.000 0.287 689 K C -2.085 174.579 176.600 0.107 0.000 0.996 689 K CA -0.937 55.465 56.287 0.192 0.000 0.876 689 K CB 1.290 33.862 32.500 0.120 0.000 1.496 689 K HN -0.004 nan 8.250 nan 0.000 0.415 690 I N 1.358 122.021 120.570 0.154 0.000 2.619 690 I HA 0.329 4.498 4.170 -0.000 0.000 0.292 690 I C -1.382 174.768 176.117 0.055 0.000 1.100 690 I CA -1.029 60.322 61.300 0.085 0.000 1.043 690 I CB 2.420 40.493 38.000 0.122 0.000 1.239 690 I HN 0.643 nan 8.210 nan 0.000 0.420 691 N N 4.916 123.628 118.700 0.019 0.000 2.319 691 N HA 0.721 5.461 4.740 -0.000 0.000 0.305 691 N C -1.450 174.052 175.510 -0.014 0.000 1.103 691 N CA -0.564 52.488 53.050 0.002 0.000 0.815 691 N CB 1.823 40.308 38.487 -0.004 0.000 1.288 691 N HN 0.252 nan 8.380 nan 0.000 0.493 692 L N 1.048 122.257 121.223 -0.024 0.000 2.334 692 L HA 0.555 4.895 4.340 -0.000 0.000 0.273 692 L C 0.235 177.073 176.870 -0.054 0.000 1.013 692 L CA -0.291 54.522 54.840 -0.045 0.000 0.816 692 L CB 1.333 43.361 42.059 -0.051 0.000 1.278 692 L HN 0.591 nan 8.230 nan 0.000 0.431 693 E N 0.000 120.157 120.200 -0.072 0.000 2.725 693 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 693 E CA 0.000 56.358 56.400 -0.071 0.000 0.976 693 E CB 0.000 29.668 29.700 -0.054 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440