REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2g3m_1_D 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 0.000 176.119 176.117 0.003 0.000 1.063 3 I CA 0.000 61.304 61.300 0.007 0.000 1.566 3 I CB 0.000 38.008 38.000 0.013 0.000 1.214 4 L N 7.172 128.386 121.223 -0.014 0.000 2.410 4 L HA 0.699 5.039 4.340 -0.001 0.000 0.270 4 L C -1.465 175.359 176.870 -0.075 0.000 0.983 4 L CA -0.013 54.807 54.840 -0.033 0.000 0.822 4 L CB 1.731 43.775 42.059 -0.026 0.000 1.285 4 L HN 0.471 nan 8.230 nan 0.000 0.409 5 K N 6.488 126.820 120.400 -0.113 0.000 2.513 5 K HA 0.640 4.959 4.320 -0.001 0.000 0.251 5 K C -1.541 174.868 176.600 -0.319 0.000 0.939 5 K CA -0.546 55.602 56.287 -0.232 0.000 0.793 5 K CB 2.523 34.910 32.500 -0.189 0.000 1.241 5 K HN 0.522 nan 8.250 nan 0.000 0.431 6 I N 3.145 123.458 120.570 -0.429 0.000 2.466 6 I HA 0.388 4.557 4.170 -0.001 0.000 0.289 6 I C -1.099 174.758 176.117 -0.433 0.000 1.026 6 I CA -0.960 60.151 61.300 -0.315 0.000 1.078 6 I CB 1.080 38.995 38.000 -0.141 0.000 1.249 6 I HN 0.493 nan 8.210 nan 0.000 0.429 7 Y N 3.742 124.019 120.300 -0.038 0.000 2.549 7 Y HA 0.627 5.176 4.550 -0.001 0.000 0.339 7 Y C 0.106 175.969 175.900 -0.062 0.000 1.053 7 Y CA -0.766 57.311 58.100 -0.038 0.000 1.105 7 Y CB 1.557 39.986 38.460 -0.050 0.000 1.258 7 Y HN 0.404 nan 8.280 nan 0.000 0.478 8 E N 1.788 122.010 120.200 0.037 0.000 2.340 8 E HA 0.364 4.713 4.350 -0.001 0.000 0.273 8 E C -1.861 174.655 176.600 -0.141 0.000 0.891 8 E CA -0.750 55.519 56.400 -0.218 0.000 0.757 8 E CB 2.383 31.873 29.700 -0.349 0.000 1.231 8 E HN 0.890 nan 8.360 nan 0.000 0.439 9 N N 3.286 121.870 118.700 -0.193 0.000 3.392 9 N HA 0.005 4.745 4.740 -0.001 0.000 0.223 9 N C -1.214 174.223 175.510 -0.122 0.000 1.137 9 N CA -0.087 52.894 53.050 -0.116 0.000 0.991 9 N CB 0.576 39.028 38.487 -0.058 0.000 1.602 9 N HN 0.638 nan 8.380 nan 0.000 0.702 10 K N 2.923 123.256 120.400 -0.111 0.000 3.150 10 K HA -0.208 4.111 4.320 -0.001 0.000 0.267 10 K C 0.482 177.017 176.600 -0.107 0.000 1.028 10 K CA 1.349 57.581 56.287 -0.092 0.000 0.753 10 K CB -1.753 30.704 32.500 -0.073 0.000 1.288 10 K HN 1.019 nan 8.250 nan 0.000 0.473 11 G N -1.266 107.441 108.800 -0.155 0.000 2.153 11 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.252 11 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.252 11 G C -0.109 174.705 174.900 -0.144 0.000 0.994 11 G CA 0.178 45.194 45.100 -0.140 0.000 0.698 11 G HN 0.468 nan 8.290 nan 0.000 0.521 12 V N 0.396 120.183 119.914 -0.211 0.000 2.444 12 V HA 0.582 4.701 4.120 -0.001 0.000 0.294 12 V C -0.537 175.451 176.094 -0.176 0.000 1.022 12 V CA -1.136 61.109 62.300 -0.091 0.000 0.850 12 V CB 1.441 33.261 31.823 -0.005 0.000 0.992 12 V HN 0.239 nan 8.190 nan 0.000 0.426 13 Y N 3.350 123.663 120.300 0.022 0.000 2.335 13 Y HA 0.461 5.010 4.550 -0.001 0.000 0.339 13 Y C 0.407 176.260 175.900 -0.079 0.000 0.987 13 Y CA -0.510 57.577 58.100 -0.020 0.000 1.140 13 Y CB 1.428 39.852 38.460 -0.062 0.000 1.173 13 Y HN 0.478 nan 8.280 nan 0.000 0.486 14 K N 3.662 124.078 120.400 0.027 0.000 2.281 14 K HA 0.542 4.862 4.320 -0.001 0.000 0.272 14 K C -1.520 174.912 176.600 -0.279 0.000 1.048 14 K CA -0.444 55.687 56.287 -0.260 0.000 0.898 14 K CB 0.591 33.008 32.500 -0.139 0.000 1.128 14 K HN 0.514 nan 8.250 nan 0.000 0.460 15 V N 5.215 124.742 119.914 -0.645 0.000 2.370 15 V HA 0.244 4.363 4.120 -0.001 0.000 0.279 15 V C -0.312 175.451 176.094 -0.551 0.000 1.029 15 V CA -0.867 61.022 62.300 -0.684 0.000 0.870 15 V CB 1.393 32.446 31.823 -1.283 0.000 0.984 15 V HN 0.480 nan 8.190 nan 0.000 0.451 16 V N 6.392 126.161 119.914 -0.241 0.000 2.370 16 V HA 0.486 4.605 4.120 -0.001 0.000 0.283 16 V C -0.204 175.867 176.094 -0.040 0.000 1.023 16 V CA -0.491 61.749 62.300 -0.100 0.000 0.857 16 V CB 1.686 33.523 31.823 0.024 0.000 0.985 16 V HN 0.581 nan 8.190 nan 0.000 0.443 17 I N 4.398 124.981 120.570 0.021 0.000 2.362 17 I HA 0.674 4.843 4.170 -0.001 0.000 0.289 17 I C 0.926 177.078 176.117 0.058 0.000 0.994 17 I CA 0.382 61.718 61.300 0.061 0.000 1.158 17 I CB 0.638 38.715 38.000 0.129 0.000 1.315 17 I HN 0.860 nan 8.210 nan 0.000 0.451 18 G N 7.348 116.174 108.800 0.043 0.000 2.547 18 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.271 18 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.271 18 G C -0.131 174.798 174.900 0.047 0.000 1.209 18 G CA -0.203 44.922 45.100 0.042 0.000 0.959 18 G HN 0.655 nan 8.290 nan 0.000 0.563 19 E N 1.614 121.847 120.200 0.055 0.000 2.683 19 E HA 0.420 4.770 4.350 -0.001 0.000 0.224 19 E C -2.563 174.094 176.600 0.096 0.000 1.046 19 E CA -1.542 54.899 56.400 0.068 0.000 0.811 19 E CB 1.637 31.373 29.700 0.059 0.000 1.296 19 E HN 0.317 nan 8.360 nan 0.000 0.421 20 P HA 0.018 nan 4.420 nan 0.000 0.269 20 P C -0.959 176.451 177.300 0.183 0.000 1.209 20 P CA -0.142 63.031 63.100 0.122 0.000 0.776 20 P CB 0.389 32.138 31.700 0.082 0.000 0.876 21 F N 3.220 123.182 119.950 0.020 0.000 2.564 21 F HA 0.386 4.913 4.527 -0.001 0.000 0.361 21 F C -2.380 173.432 175.800 0.019 0.000 1.161 21 F CA -2.764 55.244 58.000 0.012 0.000 1.198 21 F CB 0.392 39.389 39.000 -0.005 0.000 1.424 21 F HN 0.177 nan 8.300 nan 0.000 0.517 22 P HA 0.097 nan 4.420 nan 0.000 0.266 22 P C -2.144 175.072 177.300 -0.140 0.000 1.193 22 P CA -0.788 62.254 63.100 -0.097 0.000 0.770 22 P CB 0.401 32.046 31.700 -0.092 0.000 0.836 23 P HA -0.009 nan 4.420 nan 0.000 0.218 23 P C 0.335 177.708 177.300 0.122 0.000 1.149 23 P CA 1.255 64.383 63.100 0.048 0.000 0.817 23 P CB 0.294 31.985 31.700 -0.014 0.000 0.785 24 I N -2.170 118.382 120.570 -0.030 0.000 2.841 24 I HA 0.249 4.418 4.170 -0.001 0.000 0.298 24 I C -1.483 174.385 176.117 -0.415 0.000 1.304 24 I CA -1.010 60.201 61.300 -0.148 0.000 1.019 24 I CB 2.588 40.443 38.000 -0.242 0.000 1.282 24 I HN -0.341 nan 8.210 nan 0.000 0.432 25 E N 5.661 125.646 120.200 -0.359 0.000 2.156 25 E HA 0.371 4.720 4.350 -0.001 0.000 0.279 25 E C -1.695 174.698 176.600 -0.345 0.000 0.965 25 E CA -0.528 55.688 56.400 -0.305 0.000 0.789 25 E CB 1.549 31.162 29.700 -0.146 0.000 1.098 25 E HN 0.244 nan 8.360 nan 0.000 0.397 26 F N 2.969 122.949 119.950 0.051 0.000 2.415 26 F HA 0.315 4.841 4.527 -0.001 0.000 0.348 26 F C -1.846 173.946 175.800 -0.014 0.000 1.119 26 F CA -2.809 55.188 58.000 -0.006 0.000 1.069 26 F CB 0.589 39.561 39.000 -0.046 0.000 1.124 26 F HN 0.229 nan 8.300 nan 0.000 0.472 27 P HA 0.200 nan 4.420 nan 0.000 0.267 27 P C -0.823 176.499 177.300 0.037 0.000 1.205 27 P CA -0.029 63.106 63.100 0.059 0.000 0.765 27 P CB 0.586 32.305 31.700 0.031 0.000 0.828 28 L N 3.404 124.635 121.223 0.014 0.000 2.298 28 L HA 0.197 4.537 4.340 -0.001 0.000 0.284 28 L C 1.488 178.343 176.870 -0.025 0.000 1.013 28 L CA -0.406 54.431 54.840 -0.005 0.000 0.824 28 L CB 1.267 43.315 42.059 -0.019 0.000 1.221 28 L HN 0.479 nan 8.230 nan 0.000 0.418 29 E N 2.362 122.545 120.200 -0.029 0.000 2.086 29 E HA -0.230 4.119 4.350 -0.001 0.000 0.205 29 E C -0.178 176.405 176.600 -0.028 0.000 1.027 29 E CA 1.435 57.818 56.400 -0.029 0.000 0.830 29 E CB 0.045 29.725 29.700 -0.035 0.000 0.751 29 E HN 0.567 nan 8.360 nan 0.000 0.456 30 Q N -0.068 119.713 119.800 -0.031 0.000 2.526 30 Q HA 0.225 4.564 4.340 -0.001 0.000 0.238 30 Q C -1.437 174.547 176.000 -0.027 0.000 0.866 30 Q CA -0.228 55.560 55.803 -0.026 0.000 0.801 30 Q CB 1.764 30.492 28.738 -0.017 0.000 1.380 30 Q HN -0.054 nan 8.270 nan 0.000 0.446 31 K N 3.175 123.542 120.400 -0.055 0.000 2.294 31 K HA 0.239 4.558 4.320 -0.001 0.000 0.288 31 K C -0.375 176.269 176.600 0.075 0.000 1.072 31 K CA 0.415 56.653 56.287 -0.081 0.000 0.960 31 K CB 0.213 32.530 32.500 -0.307 0.000 1.043 31 K HN 0.447 nan 8.250 nan 0.000 0.455 32 I N 2.007 122.657 120.570 0.133 0.000 2.354 32 I HA 0.072 4.241 4.170 -0.001 0.000 0.292 32 I C 0.383 176.610 176.117 0.184 0.000 0.989 32 I CA -0.567 60.811 61.300 0.131 0.000 1.188 32 I CB 1.867 39.895 38.000 0.047 0.000 1.342 32 I HN 0.433 nan 8.210 nan 0.000 0.457 33 S N 3.584 119.363 115.700 0.131 0.000 2.558 33 S HA 0.086 4.556 4.470 -0.001 0.000 0.288 33 S C 0.083 174.662 174.600 -0.035 0.000 1.318 33 S CA -0.007 58.172 58.200 -0.036 0.000 1.056 33 S CB 0.739 63.899 63.200 -0.067 0.000 0.853 33 S HN 0.699 nan 8.310 nan 0.000 0.505 34 S N 1.248 116.902 115.700 -0.077 0.000 2.607 34 S HA 0.419 4.888 4.470 -0.001 0.000 0.303 34 S C 0.486 175.077 174.600 -0.015 0.000 1.086 34 S CA -0.867 57.332 58.200 -0.002 0.000 0.995 34 S CB 0.722 63.973 63.200 0.086 0.000 1.084 34 S HN 0.693 nan 8.310 nan 0.000 0.507 35 N N 1.203 119.914 118.700 0.019 0.000 2.254 35 N HA 0.114 4.853 4.740 -0.001 0.000 0.190 35 N C -0.450 175.063 175.510 0.006 0.000 1.107 35 N CA -0.014 53.037 53.050 0.002 0.000 0.869 35 N CB 0.170 38.661 38.487 0.007 0.000 0.983 35 N HN 0.396 nan 8.380 nan 0.000 0.487 36 K N 2.163 122.584 120.400 0.035 0.000 2.489 36 K HA 0.043 4.363 4.320 -0.001 0.000 0.278 36 K C 0.661 177.234 176.600 -0.045 0.000 1.000 36 K CA 0.217 56.499 56.287 -0.008 0.000 1.012 36 K CB 0.596 33.073 32.500 -0.039 0.000 0.903 36 K HN 0.184 nan 8.250 nan 0.000 0.485 37 S N 1.957 117.626 115.700 -0.052 0.000 2.718 37 S HA 0.292 4.762 4.470 -0.001 0.000 0.300 37 S C 1.238 175.810 174.600 -0.047 0.000 1.117 37 S CA -0.843 57.332 58.200 -0.043 0.000 1.002 37 S CB 0.994 64.178 63.200 -0.027 0.000 1.092 37 S HN 0.333 nan 8.310 nan 0.000 0.542 38 L N 2.002 123.213 121.223 -0.021 0.000 2.042 38 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 38 L C 3.005 179.880 176.870 0.009 0.000 1.076 38 L CA 2.429 57.274 54.840 0.009 0.000 0.749 38 L CB -1.435 40.646 42.059 0.037 0.000 0.893 38 L HN 1.010 nan 8.230 nan 0.000 0.432 39 S N -1.480 114.220 115.700 -0.000 0.000 2.402 39 S HA -0.174 4.295 4.470 -0.001 0.000 0.229 39 S C 1.740 176.334 174.600 -0.009 0.000 1.021 39 S CA 1.038 59.238 58.200 0.001 0.000 0.974 39 S CB -0.513 62.686 63.200 -0.001 0.000 0.800 39 S HN 0.560 nan 8.310 nan 0.000 0.484 40 E N 0.534 120.718 120.200 -0.027 0.000 2.208 40 E HA 0.038 4.387 4.350 -0.001 0.000 0.193 40 E C 1.292 177.856 176.600 -0.060 0.000 0.988 40 E CA 0.642 57.018 56.400 -0.041 0.000 0.828 40 E CB -0.190 29.478 29.700 -0.054 0.000 0.763 40 E HN 0.369 nan 8.360 nan 0.000 0.478 41 L N -0.512 120.670 121.223 -0.068 0.000 2.558 41 L HA 0.158 4.498 4.340 -0.001 0.000 0.225 41 L C 1.296 178.191 176.870 0.042 0.000 1.128 41 L CA 0.878 55.682 54.840 -0.061 0.000 0.868 41 L CB -0.031 41.977 42.059 -0.084 0.000 1.006 41 L HN 0.200 nan 8.230 nan 0.000 0.454 42 G N -0.051 108.768 108.800 0.031 0.000 2.198 42 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.260 42 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.260 42 G C 0.108 175.043 174.900 0.058 0.000 1.025 42 G CA 0.406 45.532 45.100 0.043 0.000 0.769 42 G HN 0.275 nan 8.290 nan 0.000 0.507 43 L N -0.468 120.800 121.223 0.074 0.000 2.333 43 L HA 0.793 5.132 4.340 -0.001 0.000 0.269 43 L C 0.198 177.109 176.870 0.069 0.000 1.010 43 L CA -0.913 53.982 54.840 0.092 0.000 0.818 43 L CB 2.410 44.579 42.059 0.183 0.000 1.306 43 L HN 0.092 nan 8.230 nan 0.000 0.430 44 T N 2.693 117.279 114.554 0.054 0.000 2.861 44 T HA 0.673 5.022 4.350 -0.001 0.000 0.287 44 T C -0.555 174.174 174.700 0.047 0.000 1.003 44 T CA -0.313 61.810 62.100 0.039 0.000 0.977 44 T CB 1.613 70.489 68.868 0.013 0.000 0.996 44 T HN 0.269 nan 8.240 nan 0.000 0.448 45 I N 2.446 123.049 120.570 0.055 0.000 2.608 45 I HA 0.654 4.823 4.170 -0.001 0.000 0.295 45 I C -0.989 175.149 176.117 0.035 0.000 1.049 45 I CA -1.124 60.214 61.300 0.062 0.000 1.063 45 I CB 2.319 40.392 38.000 0.121 0.000 1.248 45 I HN 0.253 nan 8.210 nan 0.000 0.424 46 V N 5.125 125.051 119.914 0.021 0.000 2.623 46 V HA 0.331 4.450 4.120 -0.001 0.000 0.304 46 V C -0.692 175.406 176.094 0.007 0.000 1.054 46 V CA -0.637 61.667 62.300 0.007 0.000 0.882 46 V CB 2.012 33.830 31.823 -0.009 0.000 1.002 46 V HN 0.678 nan 8.190 nan 0.000 0.424 47 Q N 3.675 123.481 119.800 0.009 0.000 2.314 47 Q HA 0.570 4.909 4.340 -0.001 0.000 0.259 47 Q C -0.566 175.432 176.000 -0.003 0.000 0.951 47 Q CA -0.291 55.517 55.803 0.008 0.000 0.909 47 Q CB 2.402 31.149 28.738 0.016 0.000 1.236 47 Q HN 0.721 nan 8.270 nan 0.000 0.444 48 Q N 0.329 120.123 119.800 -0.010 0.000 3.331 48 Q HA 0.436 4.775 4.340 -0.001 0.000 0.279 48 Q C 0.149 176.138 176.000 -0.017 0.000 1.025 48 Q CA -0.965 54.829 55.803 -0.016 0.000 0.743 48 Q CB 0.478 29.202 28.738 -0.024 0.000 2.725 48 Q HN 0.743 nan 8.270 nan 0.000 0.380 49 G N 2.059 110.846 108.800 -0.022 0.000 2.624 49 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.292 49 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.292 49 G C -0.071 174.814 174.900 -0.025 0.000 0.777 49 G CA 0.062 45.148 45.100 -0.023 0.000 1.883 49 G HN 0.572 nan 8.290 nan 0.000 0.505 50 N N 0.089 118.777 118.700 -0.019 0.000 2.721 50 N HA -0.163 4.577 4.740 -0.001 0.000 0.249 50 N C 0.040 175.538 175.510 -0.021 0.000 1.072 50 N CA 1.531 54.571 53.050 -0.018 0.000 0.710 50 N CB -0.556 37.917 38.487 -0.023 0.000 0.993 50 N HN 0.626 nan 8.380 nan 0.000 0.547 51 K N -0.466 119.922 120.400 -0.021 0.000 2.502 51 K HA 0.611 4.930 4.320 -0.001 0.000 0.257 51 K C -0.835 175.753 176.600 -0.021 0.000 0.938 51 K CA -0.605 55.664 56.287 -0.030 0.000 0.819 51 K CB 2.725 35.197 32.500 -0.047 0.000 1.333 51 K HN -0.138 nan 8.250 nan 0.000 0.434 52 V N 3.782 123.681 119.914 -0.025 0.000 2.487 52 V HA 0.492 4.612 4.120 -0.001 0.000 0.298 52 V C -0.654 175.406 176.094 -0.056 0.000 1.028 52 V CA -0.734 61.560 62.300 -0.009 0.000 0.860 52 V CB 1.444 33.291 31.823 0.040 0.000 0.991 52 V HN 0.602 nan 8.190 nan 0.000 0.427 53 I N 5.127 125.665 120.570 -0.054 0.000 2.389 53 I HA 0.502 4.671 4.170 -0.001 0.000 0.288 53 I C -0.686 175.384 176.117 -0.078 0.000 0.999 53 I CA -0.784 60.458 61.300 -0.097 0.000 1.129 53 I CB 1.991 39.941 38.000 -0.083 0.000 1.288 53 I HN 0.263 nan 8.210 nan 0.000 0.444 54 V N 6.136 125.968 119.914 -0.135 0.000 2.417 54 V HA 0.386 4.506 4.120 -0.001 0.000 0.291 54 V C -0.119 175.915 176.094 -0.101 0.000 1.024 54 V CA -0.587 61.655 62.300 -0.097 0.000 0.861 54 V CB 1.656 33.392 31.823 -0.144 0.000 0.985 54 V HN 0.692 nan 8.190 nan 0.000 0.436 55 E N 3.517 123.687 120.200 -0.049 0.000 2.212 55 E HA 0.632 4.981 4.350 -0.001 0.000 0.268 55 E C -0.868 175.714 176.600 -0.031 0.000 0.902 55 E CA -0.844 55.525 56.400 -0.053 0.000 0.779 55 E CB 2.924 32.596 29.700 -0.046 0.000 1.172 55 E HN 0.523 nan 8.360 nan 0.000 0.409 56 K N 1.050 121.419 120.400 -0.052 0.000 2.469 56 K HA 0.330 4.649 4.320 -0.001 0.000 0.254 56 K C -0.648 175.917 176.600 -0.058 0.000 0.939 56 K CA -0.603 55.654 56.287 -0.050 0.000 0.812 56 K CB 1.772 34.215 32.500 -0.095 0.000 1.301 56 K HN 0.632 nan 8.250 nan 0.000 0.433 57 S N 2.095 117.770 115.700 -0.042 0.000 2.614 57 S HA 0.433 4.902 4.470 -0.001 0.000 0.265 57 S C -0.452 174.106 174.600 -0.070 0.000 1.303 57 S CA -0.745 57.427 58.200 -0.048 0.000 1.000 57 S CB 0.925 64.108 63.200 -0.029 0.000 0.935 57 S HN 0.453 nan 8.310 nan 0.000 0.551 58 L N 1.588 122.758 121.223 -0.089 0.000 2.441 58 L HA 0.546 4.885 4.340 -0.001 0.000 0.270 58 L C -1.526 175.267 176.870 -0.128 0.000 0.973 58 L CA -0.305 54.459 54.840 -0.127 0.000 0.842 58 L CB 1.617 43.569 42.059 -0.178 0.000 1.239 58 L HN 0.715 nan 8.230 nan 0.000 0.406 59 D N 3.944 124.271 120.400 -0.122 0.000 2.348 59 D HA 0.261 4.900 4.640 -0.001 0.000 0.249 59 D C 1.399 177.607 176.300 -0.153 0.000 1.110 59 D CA -0.347 53.587 54.000 -0.110 0.000 0.967 59 D CB 1.517 42.262 40.800 -0.092 0.000 1.139 59 D HN 0.527 nan 8.370 nan 0.000 0.466 60 L N 0.386 121.544 121.223 -0.108 0.000 2.079 60 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 60 L C 1.989 178.762 176.870 -0.163 0.000 1.081 60 L CA 1.165 55.941 54.840 -0.106 0.000 0.752 60 L CB -0.192 41.853 42.059 -0.023 0.000 0.896 60 L HN 0.154 nan 8.230 nan 0.000 0.433 61 K N 0.025 120.313 120.400 -0.188 0.000 2.404 61 K HA 0.069 4.388 4.320 -0.001 0.000 0.194 61 K C 0.390 176.653 176.600 -0.563 0.000 1.023 61 K CA 0.003 56.115 56.287 -0.291 0.000 1.094 61 K CB 0.108 32.499 32.500 -0.182 0.000 0.841 61 K HN 0.329 nan 8.250 nan 0.000 0.523 62 E N 1.454 121.400 120.200 -0.423 0.000 2.384 62 E HA -0.036 4.313 4.350 -0.001 0.000 0.266 62 E C -0.685 175.565 176.600 -0.583 0.000 1.012 62 E CA 0.021 56.158 56.400 -0.438 0.000 0.901 62 E CB 0.477 30.040 29.700 -0.228 0.000 0.967 62 E HN 0.117 nan 8.360 nan 0.000 0.435 63 H N 4.248 123.145 119.070 -0.287 0.000 2.457 63 H HA 0.342 4.897 4.556 -0.001 0.000 0.335 63 H C -0.266 174.940 175.328 -0.203 0.000 1.115 63 H CA -0.644 55.183 56.048 -0.368 0.000 1.219 63 H CB 0.982 30.256 29.762 -0.813 0.000 1.471 63 H HN 0.356 nan 8.280 nan 0.000 0.491 64 I N 5.248 125.787 120.570 -0.051 0.000 2.410 64 I HA 0.280 4.449 4.170 -0.001 0.000 0.286 64 I C 0.565 176.661 176.117 -0.034 0.000 1.009 64 I CA -0.463 60.814 61.300 -0.039 0.000 1.111 64 I CB 1.102 38.997 38.000 -0.175 0.000 1.262 64 I HN 0.519 nan 8.210 nan 0.000 0.443 65 I N 2.177 122.764 120.570 0.028 0.000 3.108 65 I HA 1.041 5.210 4.170 -0.001 0.000 0.312 65 I C 0.421 176.561 176.117 0.037 0.000 1.095 65 I CA -0.554 60.758 61.300 0.020 0.000 1.000 65 I CB 2.404 40.419 38.000 0.024 0.000 1.229 65 I HN 0.677 nan 8.210 nan 0.000 0.454 66 G N 2.173 110.975 108.800 0.004 0.000 2.443 66 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.209 66 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.209 66 G C 0.080 174.875 174.900 -0.175 0.000 1.176 66 G CA -0.329 44.733 45.100 -0.064 0.000 1.074 66 G HN 1.434 nan 8.290 nan 0.000 0.577 67 L N 0.045 121.125 121.223 -0.239 0.000 4.759 67 L HA -0.151 4.188 4.340 -0.001 0.000 0.419 67 L C 2.119 178.869 176.870 -0.201 0.000 1.093 67 L CA 1.588 56.227 54.840 -0.334 0.000 1.037 67 L CB -1.784 39.935 42.059 -0.566 0.000 2.095 67 L HN 2.977 nan 8.230 nan 0.000 0.739 68 G N 0.439 109.151 108.800 -0.147 0.000 2.583 68 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.292 68 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.292 68 G C -0.001 174.862 174.900 -0.063 0.000 1.203 68 G CA 0.649 45.691 45.100 -0.098 0.000 0.987 68 G HN 0.512 nan 8.290 nan 0.000 0.554 69 E N 1.527 121.704 120.200 -0.039 0.000 1.881 69 E HA 0.333 4.683 4.350 -0.001 0.000 0.264 69 E C -0.339 176.268 176.600 0.012 0.000 1.243 69 E CA -0.010 56.378 56.400 -0.021 0.000 0.965 69 E CB -0.104 29.583 29.700 -0.023 0.000 1.055 69 E HN 0.229 nan 8.360 nan 0.000 0.412 70 K N 1.704 122.139 120.400 0.059 0.000 2.378 70 K HA 0.334 4.653 4.320 -0.001 0.000 0.252 70 K C -0.609 176.155 176.600 0.273 0.000 0.931 70 K CA -0.765 55.644 56.287 0.202 0.000 0.794 70 K CB 2.005 34.621 32.500 0.194 0.000 1.181 70 K HN 0.327 nan 8.250 nan 0.000 0.425 71 A N 3.776 126.786 122.820 0.317 0.000 3.033 71 A HA 0.405 4.725 4.320 -0.001 0.000 0.250 71 A C -0.715 176.820 177.584 -0.081 0.000 1.633 71 A CA 0.125 52.210 52.037 0.081 0.000 1.290 71 A CB -0.870 18.105 19.000 -0.042 0.000 1.048 71 A HN 0.486 nan 8.150 nan 0.000 0.648 72 F N -1.561 118.521 119.950 0.221 0.000 2.692 72 F HA 0.474 5.000 4.527 -0.001 0.000 0.320 72 F C 0.141 176.086 175.800 0.241 0.000 1.123 72 F CA -1.191 57.005 58.000 0.326 0.000 0.961 72 F CB 0.951 40.188 39.000 0.395 0.000 1.383 72 F HN 0.071 nan 8.300 nan 0.000 0.483 73 E N 0.690 121.174 120.200 0.473 0.000 2.437 73 E HA 0.068 4.417 4.350 -0.001 0.000 0.263 73 E C 0.723 177.492 176.600 0.281 0.000 1.030 73 E CA 0.022 56.614 56.400 0.320 0.000 0.934 73 E CB 0.195 30.070 29.700 0.291 0.000 0.943 73 E HN 0.377 nan 8.360 nan 0.000 0.444 74 L N 1.269 122.641 121.223 0.250 0.000 2.079 74 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 74 L C 0.716 177.693 176.870 0.178 0.000 1.081 74 L CA 1.606 56.599 54.840 0.255 0.000 0.752 74 L CB -0.578 41.722 42.059 0.402 0.000 0.896 74 L HN 0.556 nan 8.230 nan 0.000 0.433 75 D N -0.281 120.217 120.400 0.163 0.000 2.339 75 D HA 0.021 4.660 4.640 -0.001 0.000 0.241 75 D C 0.898 177.255 176.300 0.095 0.000 1.183 75 D CA -0.196 53.858 54.000 0.091 0.000 0.859 75 D CB 0.851 41.722 40.800 0.117 0.000 1.067 75 D HN -0.030 nan 8.370 nan 0.000 0.484 76 R N 2.873 123.390 120.500 0.029 0.000 2.323 76 R HA 0.017 4.356 4.340 -0.001 0.000 0.198 76 R C 0.477 176.838 176.300 0.100 0.000 0.988 76 R CA 0.110 56.244 56.100 0.057 0.000 1.041 76 R CB -0.346 29.840 30.300 -0.189 0.000 0.926 76 R HN 0.368 nan 8.270 nan 0.000 0.476 77 K N 1.553 121.956 120.400 0.005 0.000 2.494 77 K HA -0.042 4.277 4.320 -0.001 0.000 0.273 77 K C 0.382 176.952 176.600 -0.049 0.000 0.970 77 K CA 0.173 56.425 56.287 -0.057 0.000 0.963 77 K CB 0.357 32.790 32.500 -0.112 0.000 0.913 77 K HN -0.086 nan 8.250 nan 0.000 0.502 78 R N -0.215 120.221 120.500 -0.106 0.000 3.418 78 R HA -0.155 4.185 4.340 -0.001 0.000 0.274 78 R C -0.895 175.309 176.300 -0.161 0.000 1.108 78 R CA 0.580 56.617 56.100 -0.105 0.000 0.741 78 R CB -2.058 28.210 30.300 -0.053 0.000 1.223 78 R HN 0.638 nan 8.270 nan 0.000 0.434 79 K N 0.150 120.399 120.400 -0.251 0.000 2.562 79 K HA 0.411 4.731 4.320 -0.001 0.000 0.267 79 K C -1.199 175.057 176.600 -0.574 0.000 0.938 79 K CA -0.797 55.171 56.287 -0.532 0.000 0.840 79 K CB 1.489 33.394 32.500 -0.992 0.000 1.390 79 K HN 0.195 nan 8.250 nan 0.000 0.428 80 R N 3.886 124.056 120.500 -0.549 0.000 2.239 80 R HA 0.331 4.671 4.340 -0.001 0.000 0.332 80 R C -1.079 174.978 176.300 -0.405 0.000 0.988 80 R CA -0.383 55.516 56.100 -0.335 0.000 0.859 80 R CB 0.220 30.398 30.300 -0.203 0.000 1.148 80 R HN 0.574 nan 8.270 nan 0.000 0.482 81 Y N 2.398 122.635 120.300 -0.106 0.000 2.310 81 Y HA 0.311 4.860 4.550 -0.001 0.000 0.326 81 Y C 0.277 176.195 175.900 0.030 0.000 1.151 81 Y CA -0.678 57.381 58.100 -0.069 0.000 1.195 81 Y CB 1.707 40.125 38.460 -0.071 0.000 1.210 81 Y HN 0.142 nan 8.280 nan 0.000 0.483 82 V N 4.658 124.679 119.914 0.178 0.000 2.398 82 V HA 0.259 4.378 4.120 -0.001 0.000 0.286 82 V C -0.345 175.877 176.094 0.213 0.000 1.026 82 V CA -0.797 61.589 62.300 0.143 0.000 0.868 82 V CB 1.399 33.264 31.823 0.070 0.000 0.982 82 V HN 0.659 nan 8.190 nan 0.000 0.443 83 M N 6.281 126.028 119.600 0.246 0.000 2.289 83 M HA 0.456 4.935 4.480 -0.001 0.000 0.354 83 M C -1.415 175.092 176.300 0.345 0.000 1.210 83 M CA -0.203 55.272 55.300 0.291 0.000 1.174 83 M CB -0.111 32.708 32.600 0.366 0.000 1.297 83 M HN 0.570 nan 8.290 nan 0.000 0.423 84 Y N 2.756 123.110 120.300 0.089 0.000 2.274 84 Y HA 0.370 4.919 4.550 -0.001 0.000 0.323 84 Y C -0.703 175.217 175.900 0.033 0.000 1.171 84 Y CA -1.439 56.692 58.100 0.052 0.000 1.163 84 Y CB 0.916 39.395 38.460 0.031 0.000 1.183 84 Y HN 0.531 nan 8.280 nan 0.000 0.424 85 N N 3.159 121.784 118.700 -0.124 0.000 2.357 85 N HA 0.265 5.005 4.740 -0.001 0.000 0.257 85 N C -0.791 174.640 175.510 -0.132 0.000 1.250 85 N CA 0.424 53.411 53.050 -0.105 0.000 0.862 85 N CB 1.252 39.662 38.487 -0.127 0.000 1.066 85 N HN 0.407 nan 8.380 nan 0.000 0.468 86 V N 1.421 121.294 119.914 -0.068 0.000 3.077 86 V HA 0.145 4.265 4.120 -0.001 0.000 0.299 86 V C -1.322 174.724 176.094 -0.079 0.000 1.276 86 V CA -1.025 61.241 62.300 -0.056 0.000 0.993 86 V CB 2.401 34.227 31.823 0.005 0.000 1.076 86 V HN 0.640 nan 8.190 nan 0.000 0.434 87 D N 4.550 124.955 120.400 0.008 0.000 2.348 87 D HA 0.278 4.917 4.640 -0.001 0.000 0.259 87 D C 0.891 177.191 176.300 -0.001 0.000 1.296 87 D CA 0.584 54.652 54.000 0.113 0.000 0.931 87 D CB 1.700 42.609 40.800 0.181 0.000 1.067 87 D HN 0.789 nan 8.370 nan 0.000 0.503 88 A N 3.493 126.144 122.820 -0.282 0.000 2.209 88 A HA 0.319 4.638 4.320 -0.001 0.000 0.212 88 A C 1.467 179.110 177.584 0.099 0.000 1.158 88 A CA 0.928 52.858 52.037 -0.177 0.000 0.742 88 A CB -0.602 18.128 19.000 -0.449 0.000 0.790 88 A HN 0.888 nan 8.150 nan 0.000 0.472 89 G N -0.827 108.100 108.800 0.213 0.000 2.564 89 G HA2 0.065 4.025 3.960 -0.001 0.000 0.273 89 G HA3 0.065 4.025 3.960 -0.001 0.000 0.273 89 G C 0.564 175.633 174.900 0.281 0.000 1.242 89 G CA 0.163 45.417 45.100 0.257 0.000 0.951 89 G HN 1.714 nan 8.290 nan 0.000 0.564 90 A N 0.663 123.593 122.820 0.182 0.000 3.037 90 A HA 0.601 4.921 4.320 -0.001 0.000 0.272 90 A C 0.373 177.976 177.584 0.032 0.000 1.723 90 A CA 0.605 52.707 52.037 0.109 0.000 1.413 90 A CB -1.304 17.715 19.000 0.033 0.000 1.112 90 A HN 1.853 nan 8.150 nan 0.000 0.606 91 Y N -0.238 120.126 120.300 0.107 0.000 2.578 91 Y HA 0.472 5.021 4.550 -0.001 0.000 0.339 91 Y C 0.210 176.146 175.900 0.059 0.000 1.231 91 Y CA -0.398 57.733 58.100 0.051 0.000 1.461 91 Y CB 0.492 38.960 38.460 0.014 0.000 1.323 91 Y HN 0.420 nan 8.280 nan 0.000 0.590 92 K N 2.289 122.807 120.400 0.198 0.000 2.313 92 K HA 0.362 4.681 4.320 -0.001 0.000 0.235 92 K C -0.904 175.746 176.600 0.083 0.000 1.035 92 K CA -1.454 54.892 56.287 0.097 0.000 0.868 92 K CB 1.622 34.149 32.500 0.044 0.000 1.232 92 K HN 0.757 nan 8.250 nan 0.000 0.459 93 K N 0.224 120.580 120.400 -0.073 0.000 2.319 93 K HA 0.032 4.351 4.320 -0.001 0.000 0.265 93 K C -0.754 175.621 176.600 -0.375 0.000 1.000 93 K CA -0.122 55.977 56.287 -0.314 0.000 0.943 93 K CB 0.199 32.350 32.500 -0.582 0.000 0.950 93 K HN 0.580 nan 8.250 nan 0.000 0.485 94 Y N -2.588 117.410 120.300 -0.504 0.000 4.841 94 Y HA -0.276 4.273 4.550 -0.001 0.000 0.242 94 Y C -0.032 175.728 175.900 -0.234 0.000 1.002 94 Y CA 1.085 58.672 58.100 -0.854 0.000 2.011 94 Y CB -2.431 35.764 38.460 -0.442 0.000 1.554 94 Y HN 0.829 nan 8.280 nan 0.000 0.618 95 Q N 1.177 121.009 119.800 0.052 0.000 2.261 95 Q HA 0.475 4.815 4.340 -0.001 0.000 0.252 95 Q C -0.648 175.499 176.000 0.246 0.000 0.915 95 Q CA -0.238 55.658 55.803 0.156 0.000 0.915 95 Q CB 1.254 30.065 28.738 0.122 0.000 1.204 95 Q HN 0.299 nan 8.270 nan 0.000 0.421 96 D N 3.220 123.763 120.400 0.237 0.000 2.837 96 D HA 0.440 5.079 4.640 -0.001 0.000 0.220 96 D C -2.559 173.818 176.300 0.127 0.000 1.236 96 D CA -1.146 52.989 54.000 0.226 0.000 0.838 96 D CB 1.695 42.679 40.800 0.307 0.000 1.647 96 D HN 0.350 nan 8.370 nan 0.000 0.486 97 P HA 0.475 nan 4.420 nan 0.000 0.284 97 P C -0.628 176.663 177.300 -0.014 0.000 1.292 97 P CA -0.607 62.549 63.100 0.093 0.000 0.800 97 P CB 1.459 33.233 31.700 0.124 0.000 1.188 98 L N -1.851 119.328 121.223 -0.073 0.000 2.535 98 L HA 0.322 4.661 4.340 -0.001 0.000 0.259 98 L C 2.040 178.760 176.870 -0.250 0.000 1.263 98 L CA -0.764 53.899 54.840 -0.296 0.000 1.282 98 L CB -0.264 41.605 42.059 -0.317 0.000 1.901 98 L HN 0.257 nan 8.230 nan 0.000 0.572 99 Y N -0.497 119.733 120.300 -0.117 0.000 2.314 99 Y HA 0.036 4.586 4.550 -0.001 0.000 0.293 99 Y C 0.714 176.564 175.900 -0.083 0.000 1.129 99 Y CA 0.165 58.194 58.100 -0.117 0.000 1.201 99 Y CB -0.340 38.008 38.460 -0.186 0.000 0.999 99 Y HN -0.022 nan 8.280 nan 0.000 0.541 100 V N -0.352 119.619 119.914 0.095 0.000 2.581 100 V HA 0.420 4.539 4.120 -0.001 0.000 0.303 100 V C -0.291 175.852 176.094 0.081 0.000 1.041 100 V CA -1.027 61.316 62.300 0.070 0.000 0.907 100 V CB 1.880 33.724 31.823 0.035 0.000 0.994 100 V HN -0.039 nan 8.190 nan 0.000 0.442 101 S N 5.090 120.870 115.700 0.132 0.000 2.718 101 S HA 0.557 5.027 4.470 -0.001 0.000 0.294 101 S C -0.651 174.063 174.600 0.191 0.000 1.157 101 S CA -0.369 57.943 58.200 0.187 0.000 1.121 101 S CB 0.533 63.894 63.200 0.269 0.000 1.015 101 S HN 0.460 nan 8.310 nan 0.000 0.479 102 I N 4.277 124.892 120.570 0.076 0.000 2.388 102 I HA 0.326 4.495 4.170 -0.001 0.000 0.281 102 I C -2.511 173.643 176.117 0.062 0.000 1.046 102 I CA -2.795 58.501 61.300 -0.006 0.000 1.187 102 I CB 0.764 38.701 38.000 -0.104 0.000 1.351 102 I HN 0.199 nan 8.210 nan 0.000 0.472 103 P HA 0.134 nan 4.420 nan 0.000 0.238 103 P C -0.408 177.206 177.300 0.523 0.000 1.714 103 P CA 0.097 63.496 63.100 0.498 0.000 0.908 103 P CB -0.111 32.018 31.700 0.715 0.000 1.893 104 L N 1.578 122.880 121.223 0.132 0.000 2.385 104 L HA 0.758 5.098 4.340 -0.001 0.000 0.273 104 L C -1.189 175.652 176.870 -0.048 0.000 0.990 104 L CA -1.173 53.699 54.840 0.053 0.000 0.821 104 L CB 1.131 43.004 42.059 -0.311 0.000 1.279 104 L HN -0.043 nan 8.230 nan 0.000 0.412 105 F N 3.920 123.854 119.950 -0.028 0.000 2.588 105 F HA 0.833 5.359 4.527 -0.001 0.000 0.310 105 F C -1.534 174.317 175.800 0.084 0.000 1.082 105 F CA -1.299 56.658 58.000 -0.072 0.000 0.929 105 F CB 1.120 40.029 39.000 -0.152 0.000 1.254 105 F HN 0.307 nan 8.300 nan 0.000 0.455 106 I N 2.439 123.182 120.570 0.288 0.000 2.474 106 I HA 0.431 4.601 4.170 -0.001 0.000 0.294 106 I C -0.485 175.839 176.117 0.346 0.000 1.005 106 I CA -0.896 60.531 61.300 0.211 0.000 1.113 106 I CB 2.118 40.174 38.000 0.093 0.000 1.289 106 I HN 0.789 nan 8.210 nan 0.000 0.436 107 S N 5.460 121.374 115.700 0.358 0.000 2.451 107 S HA 0.621 5.091 4.470 -0.001 0.000 0.301 107 S C -0.798 173.903 174.600 0.169 0.000 1.116 107 S CA -0.484 57.893 58.200 0.295 0.000 1.093 107 S CB 1.124 64.558 63.200 0.390 0.000 1.017 107 S HN 0.333 nan 8.310 nan 0.000 0.482 108 V N 5.994 125.966 119.914 0.097 0.000 2.326 108 V HA 0.504 4.623 4.120 -0.001 0.000 0.281 108 V C -0.112 175.991 176.094 0.015 0.000 1.015 108 V CA -0.667 61.682 62.300 0.083 0.000 0.823 108 V CB 1.027 32.927 31.823 0.129 0.000 1.009 108 V HN 0.865 nan 8.190 nan 0.000 0.436 109 K N 3.402 123.817 120.400 0.025 0.000 2.376 109 K HA 0.412 4.731 4.320 -0.001 0.000 0.257 109 K C -0.359 176.247 176.600 0.010 0.000 0.939 109 K CA -0.484 55.794 56.287 -0.016 0.000 0.809 109 K CB 1.038 33.537 32.500 -0.003 0.000 1.121 109 K HN 0.679 nan 8.250 nan 0.000 0.425 110 D N 3.410 123.809 120.400 -0.002 0.000 2.772 110 D HA -0.195 4.444 4.640 -0.001 0.000 0.233 110 D C 0.632 176.961 176.300 0.048 0.000 1.143 110 D CA 1.637 55.650 54.000 0.021 0.000 0.700 110 D CB -1.147 39.663 40.800 0.017 0.000 1.076 110 D HN 1.099 nan 8.370 nan 0.000 0.430 111 G N -1.972 106.873 108.800 0.074 0.000 2.184 111 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.264 111 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.264 111 G C 0.396 175.343 174.900 0.079 0.000 0.975 111 G CA 0.411 45.570 45.100 0.099 0.000 0.642 111 G HN 0.603 nan 8.290 nan 0.000 0.536 112 V N 1.180 121.130 119.914 0.061 0.000 2.394 112 V HA 0.756 4.876 4.120 -0.001 0.000 0.282 112 V C 0.701 176.830 176.094 0.059 0.000 1.031 112 V CA -0.236 62.094 62.300 0.049 0.000 0.881 112 V CB 1.453 33.300 31.823 0.040 0.000 0.982 112 V HN 1.028 nan 8.190 nan 0.000 0.451 113 A N 3.963 126.810 122.820 0.046 0.000 2.301 113 A HA 0.826 5.145 4.320 -0.001 0.000 0.312 113 A C 0.093 177.695 177.584 0.029 0.000 1.182 113 A CA -0.325 51.742 52.037 0.051 0.000 0.826 113 A CB 0.756 19.774 19.000 0.031 0.000 1.134 113 A HN 0.776 nan 8.150 nan 0.000 0.501 114 T N 1.235 115.815 114.554 0.044 0.000 2.971 114 T HA 0.617 4.966 4.350 -0.001 0.000 0.304 114 T C 0.139 174.764 174.700 -0.125 0.000 1.038 114 T CA -0.052 62.021 62.100 -0.045 0.000 1.007 114 T CB 1.781 70.647 68.868 -0.004 0.000 1.055 114 T HN 1.069 nan 8.240 nan 0.000 0.451 115 G N 1.134 109.762 108.800 -0.287 0.000 2.410 115 G HA2 0.638 4.597 3.960 -0.001 0.000 0.330 115 G HA3 0.638 4.597 3.960 -0.001 0.000 0.330 115 G C -1.709 172.795 174.900 -0.661 0.000 1.142 115 G CA -0.501 44.410 45.100 -0.314 0.000 0.902 115 G HN 0.625 nan 8.290 nan 0.000 0.491 116 Y N 0.472 120.554 120.300 -0.364 0.000 2.327 116 Y HA 0.408 4.957 4.550 -0.001 0.000 0.325 116 Y C -0.944 174.870 175.900 -0.143 0.000 0.999 116 Y CA -0.979 56.899 58.100 -0.370 0.000 1.195 116 Y CB 2.059 40.075 38.460 -0.741 0.000 1.132 116 Y HN 0.502 nan 8.280 nan 0.000 0.455 117 F N 5.128 125.029 119.950 -0.082 0.000 2.427 117 F HA 0.638 5.164 4.527 -0.001 0.000 0.348 117 F C -1.811 174.071 175.800 0.137 0.000 1.125 117 F CA -2.359 55.705 58.000 0.107 0.000 0.989 117 F CB 0.395 39.481 39.000 0.144 0.000 1.165 117 F HN 0.229 nan 8.300 nan 0.000 0.442 118 F N 4.868 124.882 119.950 0.107 0.000 2.334 118 F HA 0.262 4.789 4.527 -0.001 0.000 0.367 118 F C 0.693 176.365 175.800 -0.213 0.000 1.115 118 F CA -0.778 57.234 58.000 0.020 0.000 1.116 118 F CB 0.530 39.616 39.000 0.144 0.000 1.230 118 F HN 0.444 nan 8.300 nan 0.000 0.484 119 N N 2.603 121.153 118.700 -0.250 0.000 3.050 119 N HA 0.055 4.795 4.740 -0.001 0.000 0.289 119 N C -0.886 174.782 175.510 0.264 0.000 1.209 119 N CA 0.155 53.191 53.050 -0.023 0.000 1.154 119 N CB 0.111 38.666 38.487 0.115 0.000 1.444 119 N HN 0.419 nan 8.380 nan 0.000 0.529 120 S N 0.588 116.509 115.700 0.368 0.000 2.571 120 S HA 0.670 5.139 4.470 -0.001 0.000 0.284 120 S C 0.016 174.794 174.600 0.297 0.000 1.128 120 S CA -0.636 57.724 58.200 0.268 0.000 0.970 120 S CB 1.085 64.407 63.200 0.205 0.000 1.039 120 S HN 0.368 nan 8.310 nan 0.000 0.485 121 A N 3.205 126.056 122.820 0.051 0.000 2.415 121 A HA 0.483 4.802 4.320 -0.001 0.000 0.248 121 A C 0.944 178.535 177.584 0.013 0.000 1.299 121 A CA 0.080 52.034 52.037 -0.139 0.000 0.899 121 A CB -0.671 18.024 19.000 -0.508 0.000 0.997 121 A HN 1.020 nan 8.150 nan 0.000 0.506 122 S N -0.617 115.140 115.700 0.095 0.000 2.646 122 S HA 0.345 4.814 4.470 -0.001 0.000 0.273 122 S C 0.331 175.053 174.600 0.204 0.000 1.168 122 S CA -0.549 57.726 58.200 0.124 0.000 1.013 122 S CB 0.420 63.661 63.200 0.070 0.000 1.098 122 S HN 0.249 nan 8.310 nan 0.000 0.544 123 K N 1.292 121.784 120.400 0.154 0.000 2.243 123 K HA 0.283 4.602 4.320 -0.001 0.000 0.232 123 K C -0.915 175.688 176.600 0.004 0.000 1.237 123 K CA -0.305 56.019 56.287 0.061 0.000 1.161 123 K CB -0.963 31.359 32.500 -0.297 0.000 1.505 123 K HN 0.441 nan 8.250 nan 0.000 0.271 124 V N 4.601 124.552 119.914 0.062 0.000 2.637 124 V HA 0.058 4.178 4.120 -0.001 0.000 0.296 124 V C 0.482 176.512 176.094 -0.108 0.000 1.046 124 V CA -0.265 61.993 62.300 -0.070 0.000 1.066 124 V CB 0.832 32.634 31.823 -0.034 0.000 0.968 124 V HN 0.455 nan 8.190 nan 0.000 0.483 125 I N 5.108 125.511 120.570 -0.278 0.000 2.378 125 I HA 0.413 4.583 4.170 -0.001 0.000 0.291 125 I C -0.502 175.371 176.117 -0.407 0.000 0.992 125 I CA -0.436 60.739 61.300 -0.208 0.000 1.154 125 I CB 1.168 39.065 38.000 -0.172 0.000 1.315 125 I HN 0.422 nan 8.210 nan 0.000 0.448 126 F N 4.133 124.045 119.950 -0.064 0.000 2.325 126 F HA 0.244 4.770 4.527 -0.001 0.000 0.369 126 F C 0.713 176.471 175.800 -0.070 0.000 1.095 126 F CA -0.606 57.336 58.000 -0.097 0.000 1.082 126 F CB 0.829 39.791 39.000 -0.062 0.000 1.289 126 F HN 0.361 nan 8.300 nan 0.000 0.462 127 D N 4.194 124.570 120.400 -0.040 0.000 2.441 127 D HA 0.166 4.806 4.640 -0.001 0.000 0.221 127 D C -0.635 175.607 176.300 -0.096 0.000 1.156 127 D CA -0.013 53.941 54.000 -0.078 0.000 0.896 127 D CB 1.170 41.901 40.800 -0.115 0.000 1.028 127 D HN 0.157 nan 8.370 nan 0.000 0.509 128 V N 3.510 123.380 119.914 -0.073 0.000 2.299 128 V HA 0.305 4.424 4.120 -0.001 0.000 0.255 128 V C 1.501 177.504 176.094 -0.152 0.000 1.100 128 V CA -0.157 62.064 62.300 -0.130 0.000 0.938 128 V CB 0.500 32.275 31.823 -0.080 0.000 1.139 128 V HN 0.794 nan 8.190 nan 0.000 0.490 129 G N 3.803 112.501 108.800 -0.170 0.000 2.283 129 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.280 129 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.280 129 G C 0.575 175.399 174.900 -0.126 0.000 1.029 129 G CA 0.747 45.733 45.100 -0.189 0.000 0.840 129 G HN 0.566 nan 8.290 nan 0.000 0.505 130 L N -0.823 120.341 121.223 -0.098 0.000 2.356 130 L HA 0.308 4.647 4.340 -0.001 0.000 0.193 130 L C 2.411 179.257 176.870 -0.041 0.000 1.087 130 L CA 1.665 56.462 54.840 -0.071 0.000 0.817 130 L CB -0.405 41.584 42.059 -0.118 0.000 1.035 130 L HN 0.462 nan 8.230 nan 0.000 0.482 131 E N 0.216 120.380 120.200 -0.059 0.000 2.051 131 E HA -0.211 4.138 4.350 -0.001 0.000 0.192 131 E C -0.169 176.418 176.600 -0.022 0.000 0.991 131 E CA 0.995 57.367 56.400 -0.047 0.000 0.799 131 E CB 0.382 30.044 29.700 -0.063 0.000 0.748 131 E HN 0.178 nan 8.360 nan 0.000 0.449 132 E N -0.958 119.229 120.200 -0.022 0.000 2.220 132 E HA 0.094 4.443 4.350 -0.001 0.000 0.256 132 E C -0.634 175.984 176.600 0.030 0.000 0.881 132 E CA -0.434 55.971 56.400 0.007 0.000 0.766 132 E CB 0.708 30.397 29.700 -0.018 0.000 1.187 132 E HN 0.145 nan 8.360 nan 0.000 0.419 133 Y N 3.200 123.464 120.300 -0.059 0.000 2.228 133 Y HA -0.245 4.304 4.550 -0.001 0.000 0.285 133 Y C 1.170 177.033 175.900 -0.062 0.000 1.178 133 Y CA 2.477 60.542 58.100 -0.059 0.000 1.202 133 Y CB 0.491 38.921 38.460 -0.049 0.000 0.974 133 Y HN 0.529 nan 8.280 nan 0.000 0.527 134 D N -0.928 119.499 120.400 0.045 0.000 2.525 134 D HA 0.165 4.804 4.640 -0.001 0.000 0.229 134 D C -0.407 175.853 176.300 -0.067 0.000 1.202 134 D CA -0.021 53.961 54.000 -0.029 0.000 0.828 134 D CB -0.115 40.709 40.800 0.040 0.000 1.008 134 D HN 0.230 nan 8.370 nan 0.000 0.493 135 K N -0.615 119.730 120.400 -0.092 0.000 2.532 135 K HA 0.503 4.823 4.320 -0.001 0.000 0.265 135 K C -1.522 174.998 176.600 -0.132 0.000 0.948 135 K CA -0.935 55.294 56.287 -0.097 0.000 0.842 135 K CB 3.184 35.643 32.500 -0.068 0.000 1.392 135 K HN -0.205 nan 8.250 nan 0.000 0.436 136 V N 3.608 123.437 119.914 -0.142 0.000 2.357 136 V HA 0.440 4.559 4.120 -0.001 0.000 0.284 136 V C -0.566 175.438 176.094 -0.150 0.000 1.018 136 V CA -0.625 61.565 62.300 -0.185 0.000 0.841 136 V CB 0.922 32.589 31.823 -0.260 0.000 0.991 136 V HN 0.561 nan 8.190 nan 0.000 0.437 137 I N 5.558 126.034 120.570 -0.157 0.000 2.355 137 I HA 0.458 4.628 4.170 -0.001 0.000 0.288 137 I C -0.537 175.430 176.117 -0.250 0.000 0.999 137 I CA -0.736 60.463 61.300 -0.168 0.000 1.163 137 I CB 1.959 39.877 38.000 -0.136 0.000 1.316 137 I HN 0.254 nan 8.210 nan 0.000 0.454 138 V N 5.147 124.854 119.914 -0.346 0.000 2.398 138 V HA 0.386 4.506 4.120 -0.001 0.000 0.286 138 V C 0.096 175.886 176.094 -0.506 0.000 1.026 138 V CA -0.344 61.583 62.300 -0.622 0.000 0.868 138 V CB 1.679 32.873 31.823 -1.049 0.000 0.982 138 V HN 0.707 nan 8.190 nan 0.000 0.443 139 T N 6.393 120.667 114.554 -0.467 0.000 2.772 139 T HA 0.648 4.997 4.350 -0.001 0.000 0.288 139 T C -0.413 174.109 174.700 -0.296 0.000 0.994 139 T CA -0.148 61.768 62.100 -0.306 0.000 0.951 139 T CB 0.873 69.612 68.868 -0.214 0.000 0.933 139 T HN 0.322 nan 8.240 nan 0.000 0.447 140 I N 6.166 126.609 120.570 -0.211 0.000 2.330 140 I HA 0.304 4.473 4.170 -0.001 0.000 0.289 140 I C -1.842 174.233 176.117 -0.071 0.000 1.001 140 I CA -2.498 58.727 61.300 -0.125 0.000 1.193 140 I CB 1.552 39.523 38.000 -0.047 0.000 1.345 140 I HN 0.329 nan 8.210 nan 0.000 0.461 141 P HA 0.121 nan 4.420 nan 0.000 0.225 141 P C -0.700 176.587 177.300 -0.021 0.000 1.768 141 P CA 0.193 63.264 63.100 -0.048 0.000 0.943 141 P CB -0.099 31.565 31.700 -0.060 0.000 1.936 142 E N 0.253 120.449 120.200 -0.006 0.000 2.390 142 E HA 0.088 4.438 4.350 -0.001 0.000 0.277 142 E C -0.120 176.489 176.600 0.015 0.000 0.939 142 E CA -0.581 55.826 56.400 0.012 0.000 0.769 142 E CB 1.294 31.017 29.700 0.038 0.000 1.251 142 E HN -0.032 nan 8.360 nan 0.000 0.450 143 D N -0.309 120.101 120.400 0.016 0.000 2.347 143 D HA -0.018 4.621 4.640 -0.001 0.000 0.215 143 D C 0.161 176.483 176.300 0.036 0.000 0.976 143 D CA 0.514 54.525 54.000 0.017 0.000 0.884 143 D CB 0.329 41.134 40.800 0.008 0.000 0.915 143 D HN 0.062 nan 8.370 nan 0.000 0.526 144 S N -1.369 114.363 115.700 0.053 0.000 2.595 144 S HA 0.711 5.180 4.470 -0.001 0.000 0.281 144 S C -1.361 173.298 174.600 0.100 0.000 1.117 144 S CA -0.782 57.462 58.200 0.074 0.000 0.873 144 S CB 2.630 65.874 63.200 0.073 0.000 1.108 144 S HN 0.070 nan 8.310 nan 0.000 0.477 145 V N 1.718 121.705 119.914 0.121 0.000 3.177 145 V HA 0.530 4.649 4.120 -0.001 0.000 0.287 145 V C -2.125 174.056 176.094 0.146 0.000 1.465 145 V CA -0.785 61.609 62.300 0.157 0.000 1.020 145 V CB 2.193 34.147 31.823 0.217 0.000 1.152 145 V HN 1.052 nan 8.190 nan 0.000 0.448 146 E N 4.610 124.877 120.200 0.111 0.000 2.210 146 E HA 0.764 5.113 4.350 -0.001 0.000 0.266 146 E C -1.296 175.278 176.600 -0.043 0.000 0.883 146 E CA -0.608 55.763 56.400 -0.049 0.000 0.761 146 E CB 2.134 31.773 29.700 -0.101 0.000 1.156 146 E HN 0.747 nan 8.360 nan 0.000 0.412 147 F N 0.356 120.091 119.950 -0.358 0.000 2.650 147 F HA 0.707 5.233 4.527 -0.001 0.000 0.320 147 F C -1.714 173.751 175.800 -0.557 0.000 1.091 147 F CA -1.377 56.351 58.000 -0.453 0.000 0.962 147 F CB 1.205 39.803 39.000 -0.670 0.000 1.363 147 F HN 0.309 nan 8.300 nan 0.000 0.482 148 Y N 0.602 120.877 120.300 -0.042 0.000 2.425 148 Y HA 0.635 5.185 4.550 -0.001 0.000 0.344 148 Y C -0.783 175.114 175.900 -0.006 0.000 0.969 148 Y CA -1.600 56.490 58.100 -0.016 0.000 1.052 148 Y CB 2.083 40.599 38.460 0.094 0.000 1.215 148 Y HN 0.550 nan 8.280 nan 0.000 0.451 149 V N 5.264 125.241 119.914 0.106 0.000 2.333 149 V HA 0.362 4.481 4.120 -0.001 0.000 0.274 149 V C -0.149 175.943 176.094 -0.004 0.000 1.028 149 V CA -0.624 61.616 62.300 -0.100 0.000 0.851 149 V CB 0.614 32.406 31.823 -0.052 0.000 1.000 149 V HN 0.587 nan 8.190 nan 0.000 0.456 150 I N 3.893 124.380 120.570 -0.139 0.000 2.330 150 I HA 0.368 4.537 4.170 -0.001 0.000 0.286 150 I C 0.319 176.390 176.117 -0.077 0.000 1.025 150 I CA -0.599 60.668 61.300 -0.055 0.000 1.197 150 I CB 1.271 39.242 38.000 -0.047 0.000 1.358 150 I HN 0.490 nan 8.210 nan 0.000 0.467 151 E N 3.668 123.867 120.200 -0.003 0.000 2.418 151 E HA 0.230 4.580 4.350 -0.001 0.000 0.261 151 E C 0.638 177.227 176.600 -0.018 0.000 1.070 151 E CA 0.394 56.799 56.400 0.007 0.000 0.931 151 E CB 1.068 30.807 29.700 0.064 0.000 0.954 151 E HN 0.652 nan 8.360 nan 0.000 0.439 152 G N 2.664 111.455 108.800 -0.014 0.000 3.226 152 G HA2 0.064 4.023 3.960 -0.001 0.000 0.190 152 G HA3 0.064 4.023 3.960 -0.001 0.000 0.190 152 G C -1.416 173.472 174.900 -0.020 0.000 1.988 152 G CA 0.147 45.233 45.100 -0.024 0.000 0.859 152 G HN 0.593 nan 8.290 nan 0.000 0.631 153 P HA 0.098 nan 4.420 nan 0.000 0.227 153 P C 0.419 177.703 177.300 -0.026 0.000 1.161 153 P CA 0.307 63.400 63.100 -0.010 0.000 0.788 153 P CB 0.413 32.112 31.700 -0.002 0.000 0.822 154 R N -0.262 120.203 120.500 -0.058 0.000 2.531 154 R HA 0.326 4.665 4.340 -0.001 0.000 0.273 154 R C 1.771 177.989 176.300 -0.136 0.000 1.070 154 R CA -0.563 55.472 56.100 -0.108 0.000 1.112 154 R CB 0.828 31.035 30.300 -0.155 0.000 1.049 154 R HN -0.015 nan 8.270 nan 0.000 0.508 155 I N 1.237 121.693 120.570 -0.190 0.000 2.264 155 I HA -0.304 3.865 4.170 -0.001 0.000 0.248 155 I C 2.369 178.334 176.117 -0.254 0.000 1.111 155 I CA 1.458 62.647 61.300 -0.185 0.000 1.382 155 I CB -0.201 37.683 38.000 -0.193 0.000 1.060 155 I HN 0.741 nan 8.210 nan 0.000 0.418 156 E N 0.975 120.904 120.200 -0.451 0.000 2.153 156 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 156 E C 1.607 178.139 176.600 -0.114 0.000 0.988 156 E CA 1.322 57.530 56.400 -0.319 0.000 0.811 156 E CB 0.121 29.556 29.700 -0.441 0.000 0.746 156 E HN 0.429 nan 8.360 nan 0.000 0.466 157 D N -0.049 120.285 120.400 -0.111 0.000 2.117 157 D HA -0.141 4.498 4.640 -0.001 0.000 0.197 157 D C 2.075 178.354 176.300 -0.034 0.000 0.987 157 D CA 1.030 54.999 54.000 -0.052 0.000 0.829 157 D CB -0.152 40.616 40.800 -0.052 0.000 0.961 157 D HN 0.126 nan 8.370 nan 0.000 0.460 158 V N 1.469 121.356 119.914 -0.046 0.000 2.287 158 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 158 V C 2.703 178.791 176.094 -0.009 0.000 1.053 158 V CA 1.202 63.479 62.300 -0.039 0.000 1.027 158 V CB -0.500 31.290 31.823 -0.055 0.000 0.646 158 V HN 0.194 nan 8.190 nan 0.000 0.447 159 L N -0.475 120.753 121.223 0.008 0.000 2.131 159 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 159 L C 2.597 179.507 176.870 0.066 0.000 1.092 159 L CA 1.507 56.382 54.840 0.058 0.000 0.759 159 L CB -0.602 41.516 42.059 0.098 0.000 0.903 159 L HN 0.428 nan 8.230 nan 0.000 0.435 160 E N 0.278 120.512 120.200 0.056 0.000 2.051 160 E HA -0.224 4.125 4.350 -0.001 0.000 0.192 160 E C 2.188 178.759 176.600 -0.049 0.000 0.991 160 E CA 1.155 57.570 56.400 0.025 0.000 0.799 160 E CB 0.006 29.738 29.700 0.054 0.000 0.748 160 E HN 0.442 nan 8.360 nan 0.000 0.449 161 K N 0.195 120.569 120.400 -0.044 0.000 2.057 161 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 161 K C 2.199 178.715 176.600 -0.140 0.000 1.049 161 K CA 1.292 57.529 56.287 -0.084 0.000 0.931 161 K CB -0.318 32.145 32.500 -0.060 0.000 0.714 161 K HN 0.161 nan 8.250 nan 0.000 0.440 162 Y N 2.226 122.386 120.300 -0.233 0.000 2.181 162 Y HA -0.236 4.313 4.550 -0.001 0.000 0.288 162 Y C 2.181 177.832 175.900 -0.415 0.000 1.146 162 Y CA 1.743 59.629 58.100 -0.357 0.000 1.164 162 Y CB -0.463 37.788 38.460 -0.349 0.000 0.982 162 Y HN -0.057 nan 8.280 nan 0.000 0.515 163 T N -0.087 114.242 114.554 -0.376 0.000 2.821 163 T HA -0.174 4.175 4.350 -0.001 0.000 0.267 163 T C 1.599 176.040 174.700 -0.432 0.000 1.046 163 T CA 1.505 63.339 62.100 -0.443 0.000 1.139 163 T CB -0.242 68.490 68.868 -0.227 0.000 0.871 163 T HN 0.412 nan 8.240 nan 0.000 0.454 164 E N 1.019 121.026 120.200 -0.321 0.000 2.110 164 E HA -0.059 4.291 4.350 -0.001 0.000 0.193 164 E C 2.023 178.428 176.600 -0.325 0.000 0.988 164 E CA 0.820 57.063 56.400 -0.262 0.000 0.804 164 E CB -0.468 29.121 29.700 -0.185 0.000 0.745 164 E HN 0.362 nan 8.360 nan 0.000 0.458 165 L N 0.276 121.229 121.223 -0.451 0.000 2.023 165 L HA -0.099 4.240 4.340 -0.001 0.000 0.205 165 L C 2.217 178.630 176.870 -0.761 0.000 1.073 165 L CA 2.213 56.729 54.840 -0.539 0.000 0.745 165 L CB -0.782 40.887 42.059 -0.650 0.000 0.900 165 L HN 0.457 nan 8.230 nan 0.000 0.435 166 T N -3.097 110.780 114.554 -1.130 0.000 3.065 166 T HA 0.339 4.689 4.350 -0.001 0.000 0.252 166 T C 0.747 175.082 174.700 -0.609 0.000 1.099 166 T CA 0.348 61.680 62.100 -1.279 0.000 1.063 166 T CB 0.276 68.150 68.868 -1.657 0.000 0.948 166 T HN 0.560 nan 8.240 nan 0.000 0.506 167 G N 1.308 109.804 108.800 -0.507 0.000 2.931 167 G HA2 0.143 4.102 3.960 -0.001 0.000 0.675 167 G HA3 0.143 4.102 3.960 -0.001 0.000 0.675 167 G C -1.173 173.516 174.900 -0.352 0.000 1.339 167 G CA -1.224 43.660 45.100 -0.359 0.000 0.866 167 G HN 0.244 nan 8.290 nan 0.000 0.616 168 K N 1.678 121.917 120.400 -0.268 0.000 2.326 168 K HA 0.367 4.686 4.320 -0.001 0.000 0.275 168 K C -2.173 174.300 176.600 -0.212 0.000 1.018 168 K CA -1.524 54.627 56.287 -0.227 0.000 0.962 168 K CB 0.913 33.316 32.500 -0.162 0.000 0.953 168 K HN 0.264 nan 8.250 nan 0.000 0.475 169 P HA -0.024 nan 4.420 nan 0.000 0.268 169 P C -0.291 177.018 177.300 0.014 0.000 1.205 169 P CA -0.144 62.851 63.100 -0.175 0.000 0.771 169 P CB 0.163 31.617 31.700 -0.409 0.000 0.858 170 F N 2.847 122.783 119.950 -0.022 0.000 2.444 170 F HA 0.362 4.888 4.527 -0.001 0.000 0.331 170 F C -0.261 175.690 175.800 0.252 0.000 1.167 170 F CA -1.234 56.832 58.000 0.109 0.000 1.262 170 F CB -0.188 38.932 39.000 0.200 0.000 1.196 170 F HN 0.073 nan 8.300 nan 0.000 0.583 171 L N 5.637 126.916 121.223 0.094 0.000 2.259 171 L HA 0.519 4.859 4.340 -0.001 0.000 0.288 171 L C -2.375 174.475 176.870 -0.033 0.000 1.051 171 L CA -2.371 52.442 54.840 -0.046 0.000 0.824 171 L CB 0.044 42.123 42.059 0.032 0.000 1.206 171 L HN 0.556 nan 8.230 nan 0.000 0.429 172 P HA 0.415 nan 4.420 nan 0.000 0.278 172 P C -2.900 174.494 177.300 0.157 0.000 1.266 172 P CA -1.690 61.408 63.100 -0.004 0.000 0.807 172 P CB 0.200 31.841 31.700 -0.098 0.000 1.094 173 P HA 0.129 nan 4.420 nan 0.000 0.274 173 P C 1.046 178.164 177.300 -0.304 0.000 1.237 173 P CA -0.284 62.688 63.100 -0.213 0.000 0.793 173 P CB 0.833 32.184 31.700 -0.581 0.000 0.977 174 M N 1.969 121.227 119.600 -0.569 0.000 2.213 174 M HA -0.091 4.389 4.480 -0.001 0.000 0.263 174 M C 1.758 177.976 176.300 -0.136 0.000 1.062 174 M CA 1.802 56.618 55.300 -0.807 0.000 1.105 174 M CB -0.463 31.519 32.600 -1.032 0.000 1.385 174 M HN 0.471 nan 8.290 nan 0.000 0.417 175 W N -0.126 121.151 121.300 -0.038 0.000 2.468 175 W HA 0.008 4.667 4.660 -0.002 0.000 0.262 175 W C 1.497 178.021 176.519 0.009 0.000 1.241 175 W CA 0.688 58.044 57.345 0.018 0.000 1.232 175 W CB -1.193 28.259 29.460 -0.013 0.000 1.124 175 W HN 0.321 nan 8.180 nan 0.000 0.597 176 A N 0.613 123.221 122.820 -0.352 0.000 2.121 176 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 176 A C 1.252 178.681 177.584 -0.259 0.000 1.154 176 A CA 0.804 52.527 52.037 -0.523 0.000 0.679 176 A CB -1.139 17.435 19.000 -0.710 0.000 0.795 176 A HN 0.286 nan 8.150 nan 0.000 0.458 177 F N -0.407 119.589 119.950 0.076 0.000 2.664 177 F HA 0.319 4.845 4.527 -0.001 0.000 0.303 177 F C 1.611 177.465 175.800 0.090 0.000 1.092 177 F CA -0.356 57.744 58.000 0.168 0.000 1.305 177 F CB -0.230 38.847 39.000 0.128 0.000 1.054 177 F HN 0.179 nan 8.300 nan 0.000 0.565 178 G N -0.992 107.962 108.800 0.258 0.000 2.563 178 G HA2 0.058 4.017 3.960 -0.001 0.000 0.283 178 G HA3 0.058 4.017 3.960 -0.001 0.000 0.283 178 G C -1.369 173.690 174.900 0.266 0.000 1.309 178 G CA -0.328 44.903 45.100 0.219 0.000 1.022 178 G HN 0.098 nan 8.290 nan 0.000 0.501 179 Y N 1.134 121.557 120.300 0.205 0.000 2.480 179 Y HA 0.442 4.991 4.550 -0.001 0.000 0.341 179 Y C -0.053 175.980 175.900 0.222 0.000 1.031 179 Y CA -1.250 57.029 58.100 0.299 0.000 1.295 179 Y CB 0.397 39.104 38.460 0.411 0.000 1.162 179 Y HN 0.070 nan 8.280 nan 0.000 0.523 180 M N 9.011 128.591 119.600 -0.033 0.000 2.294 180 M HA 0.396 4.875 4.480 -0.001 0.000 0.335 180 M C -0.554 175.524 176.300 -0.370 0.000 1.079 180 M CA -0.756 54.442 55.300 -0.169 0.000 0.982 180 M CB 1.203 33.737 32.600 -0.110 0.000 1.651 180 M HN 0.658 nan 8.290 nan 0.000 0.437 181 I N -0.274 120.157 120.570 -0.230 0.000 2.460 181 I HA 0.870 5.040 4.170 -0.001 0.000 0.298 181 I C -0.204 176.025 176.117 0.186 0.000 0.989 181 I CA -0.387 60.855 61.300 -0.096 0.000 1.173 181 I CB 2.031 39.986 38.000 -0.075 0.000 1.338 181 I HN 0.672 nan 8.210 nan 0.000 0.456 182 S N 4.529 120.346 115.700 0.195 0.000 2.588 182 S HA 0.739 5.208 4.470 -0.001 0.000 0.269 182 S C -1.092 173.509 174.600 0.002 0.000 1.157 182 S CA -0.754 57.559 58.200 0.188 0.000 0.824 182 S CB 2.170 65.285 63.200 -0.142 0.000 1.126 182 S HN 0.964 nan 8.310 nan 0.000 0.464 183 R N 0.731 121.157 120.500 -0.122 0.000 2.712 183 R HA 0.374 4.713 4.340 -0.001 0.000 0.272 183 R C -2.379 174.034 176.300 0.188 0.000 1.032 183 R CA -0.591 55.347 56.100 -0.269 0.000 0.874 183 R CB 1.003 30.735 30.300 -0.946 0.000 1.256 183 R HN 0.683 nan 8.270 nan 0.000 0.468 184 Y N 1.767 122.070 120.300 0.005 0.000 2.919 184 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 184 Y C -1.658 174.302 175.900 0.101 0.000 1.045 184 Y CA -0.560 57.675 58.100 0.226 0.000 1.218 184 Y CB 0.432 39.083 38.460 0.319 0.000 1.137 184 Y HN 0.523 nan 8.280 nan 0.000 0.577 185 S N 2.554 118.309 115.700 0.091 0.000 2.685 185 S HA 0.529 4.998 4.470 -0.001 0.000 0.282 185 S C -1.915 172.888 174.600 0.339 0.000 1.159 185 S CA -0.631 57.760 58.200 0.319 0.000 0.833 185 S CB 1.286 64.795 63.200 0.515 0.000 1.151 185 S HN 0.226 nan 8.310 nan 0.000 0.485 186 Y N 2.008 122.607 120.300 0.499 0.000 2.326 186 Y HA 0.633 5.182 4.550 -0.001 0.000 0.337 186 Y C -0.176 176.086 175.900 0.604 0.000 1.023 186 Y CA -0.679 57.652 58.100 0.385 0.000 1.143 186 Y CB 0.382 39.033 38.460 0.319 0.000 1.183 186 Y HN 0.695 nan 8.280 nan 0.000 0.485 187 Y N 2.323 122.816 120.300 0.321 0.000 2.765 187 Y HA 0.584 5.133 4.550 -0.001 0.000 0.350 187 Y C -3.320 172.587 175.900 0.012 0.000 1.196 187 Y CA -2.774 55.437 58.100 0.185 0.000 1.119 187 Y CB 0.131 38.779 38.460 0.313 0.000 1.368 187 Y HN 0.313 nan 8.280 nan 0.000 0.463 188 P HA 0.093 nan 4.420 nan 0.000 0.286 188 P C 0.325 177.397 177.300 -0.381 0.000 1.293 188 P CA 0.186 63.155 63.100 -0.219 0.000 0.770 188 P CB 0.957 32.554 31.700 -0.171 0.000 1.206 189 Q N -0.303 119.031 119.800 -0.776 0.000 2.112 189 Q HA -0.241 4.099 4.340 -0.001 0.000 0.206 189 Q C 1.035 176.946 176.000 -0.149 0.000 0.987 189 Q CA 1.997 57.560 55.803 -0.401 0.000 0.858 189 Q CB -0.832 27.707 28.738 -0.331 0.000 0.905 189 Q HN 0.301 nan 8.270 nan 0.000 0.420 190 D N 0.813 121.124 120.400 -0.148 0.000 2.178 190 D HA -0.100 4.539 4.640 -0.001 0.000 0.201 190 D C 1.789 178.045 176.300 -0.072 0.000 0.980 190 D CA 0.960 54.905 54.000 -0.091 0.000 0.842 190 D CB -0.045 40.707 40.800 -0.080 0.000 0.948 190 D HN 0.224 nan 8.370 nan 0.000 0.472 191 K N 0.599 120.953 120.400 -0.076 0.000 2.148 191 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 191 K C 2.213 178.776 176.600 -0.062 0.000 1.050 191 K CA 0.217 56.467 56.287 -0.062 0.000 0.942 191 K CB -0.421 32.036 32.500 -0.071 0.000 0.724 191 K HN 0.105 nan 8.250 nan 0.000 0.446 192 V N 1.097 120.996 119.914 -0.025 0.000 2.295 192 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 192 V C 2.487 178.538 176.094 -0.072 0.000 1.049 192 V CA 1.532 63.815 62.300 -0.028 0.000 1.024 192 V CB -0.489 31.407 31.823 0.122 0.000 0.648 192 V HN -0.030 nan 8.190 nan 0.000 0.447 193 V N -0.296 119.588 119.914 -0.050 0.000 2.427 193 V HA -0.232 3.887 4.120 -0.001 0.000 0.248 193 V C 2.383 178.440 176.094 -0.062 0.000 1.051 193 V CA 1.868 64.134 62.300 -0.056 0.000 1.048 193 V CB -0.701 31.091 31.823 -0.053 0.000 0.666 193 V HN 0.594 nan 8.190 nan 0.000 0.456 194 E N -0.064 120.101 120.200 -0.060 0.000 2.085 194 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 194 E C 2.137 178.700 176.600 -0.061 0.000 0.994 194 E CA 1.464 57.834 56.400 -0.050 0.000 0.801 194 E CB -0.229 29.449 29.700 -0.037 0.000 0.743 194 E HN 0.413 nan 8.360 nan 0.000 0.453 195 L N 0.531 121.698 121.223 -0.093 0.000 2.056 195 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 195 L C 2.206 178.997 176.870 -0.132 0.000 1.078 195 L CA 1.314 56.076 54.840 -0.130 0.000 0.749 195 L CB -0.304 41.608 42.059 -0.245 0.000 0.901 195 L HN -0.048 nan 8.230 nan 0.000 0.433 196 V N -0.091 119.751 119.914 -0.120 0.000 2.343 196 V HA -0.297 3.822 4.120 -0.001 0.000 0.247 196 V C 2.289 178.353 176.094 -0.049 0.000 1.051 196 V CA 1.957 64.208 62.300 -0.082 0.000 1.036 196 V CB -0.782 31.000 31.823 -0.067 0.000 0.654 196 V HN 0.466 nan 8.190 nan 0.000 0.451 197 D N 0.020 120.391 120.400 -0.049 0.000 2.097 197 D HA -0.115 4.524 4.640 -0.001 0.000 0.195 197 D C 2.083 178.368 176.300 -0.026 0.000 0.989 197 D CA 1.400 55.380 54.000 -0.033 0.000 0.827 197 D CB -0.177 40.603 40.800 -0.033 0.000 0.966 197 D HN 0.401 nan 8.370 nan 0.000 0.456 198 I N 0.493 121.037 120.570 -0.043 0.000 2.226 198 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 198 I C 2.441 178.548 176.117 -0.016 0.000 1.100 198 I CA 0.665 61.936 61.300 -0.048 0.000 1.374 198 I CB -0.176 37.763 38.000 -0.102 0.000 1.057 198 I HN -0.003 nan 8.210 nan 0.000 0.413 199 M N 0.113 119.701 119.600 -0.020 0.000 2.086 199 M HA -0.232 4.247 4.480 -0.001 0.000 0.261 199 M C 2.346 178.757 176.300 0.185 0.000 1.067 199 M CA 1.942 57.293 55.300 0.085 0.000 1.116 199 M CB -1.099 31.515 32.600 0.023 0.000 1.348 199 M HN 0.325 nan 8.290 nan 0.000 0.407 200 Q N -0.359 119.492 119.800 0.086 0.000 2.079 200 Q HA -0.180 4.159 4.340 -0.001 0.000 0.200 200 Q C 2.089 178.107 176.000 0.029 0.000 0.974 200 Q CA 1.282 57.121 55.803 0.060 0.000 0.840 200 Q CB -0.247 28.502 28.738 0.018 0.000 0.898 200 Q HN 0.472 nan 8.270 nan 0.000 0.430 201 K N 1.252 121.663 120.400 0.019 0.000 2.147 201 K HA -0.166 4.154 4.320 -0.001 0.000 0.205 201 K C 1.117 177.717 176.600 0.001 0.000 1.049 201 K CA 1.169 57.456 56.287 0.001 0.000 0.936 201 K CB 0.173 32.670 32.500 -0.004 0.000 0.722 201 K HN 0.163 nan 8.250 nan 0.000 0.446 202 E N -0.978 119.245 120.200 0.039 0.000 2.437 202 E HA 0.057 4.407 4.350 -0.001 0.000 0.189 202 E C 0.278 176.805 176.600 -0.121 0.000 1.054 202 E CA 0.327 56.741 56.400 0.024 0.000 0.874 202 E CB 0.598 30.379 29.700 0.134 0.000 1.011 202 E HN 0.595 nan 8.360 nan 0.000 0.474 203 G N 1.180 109.904 108.800 -0.126 0.000 2.131 203 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.223 203 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.223 203 G C -0.223 174.445 174.900 -0.386 0.000 0.990 203 G CA -0.485 44.453 45.100 -0.270 0.000 0.671 203 G HN 0.163 nan 8.290 nan 0.000 0.521 204 F N 0.804 120.772 119.950 0.029 0.000 2.404 204 F HA 0.553 5.080 4.527 -0.001 0.000 0.354 204 F C 0.972 176.845 175.800 0.122 0.000 1.122 204 F CA -0.915 57.151 58.000 0.109 0.000 1.080 204 F CB 1.348 40.455 39.000 0.179 0.000 1.131 204 F HN 0.049 nan 8.300 nan 0.000 0.471 205 R N 3.632 124.294 120.500 0.270 0.000 2.272 205 R HA 0.430 4.769 4.340 -0.001 0.000 0.334 205 R C -1.422 175.093 176.300 0.358 0.000 1.117 205 R CA -0.218 55.955 56.100 0.122 0.000 0.966 205 R CB 0.219 30.334 30.300 -0.307 0.000 1.049 205 R HN 0.515 nan 8.270 nan 0.000 0.477 206 V N 5.283 125.337 119.914 0.234 0.000 2.364 206 V HA 0.194 4.313 4.120 -0.001 0.000 0.272 206 V C 1.090 177.259 176.094 0.125 0.000 1.036 206 V CA -0.002 62.397 62.300 0.164 0.000 0.880 206 V CB 1.022 32.865 31.823 0.032 0.000 0.991 206 V HN 0.974 nan 8.190 nan 0.000 0.460 207 A N 4.151 127.085 122.820 0.191 0.000 1.930 207 A HA 0.527 4.846 4.320 -0.001 0.000 0.215 207 A C 1.140 178.736 177.584 0.020 0.000 1.176 207 A CA 1.163 53.295 52.037 0.159 0.000 0.632 207 A CB -0.104 19.076 19.000 0.300 0.000 0.819 207 A HN 1.088 nan 8.150 nan 0.000 0.445 208 G N -1.934 106.883 108.800 0.029 0.000 2.646 208 G HA2 0.529 4.488 3.960 -0.001 0.000 0.291 208 G HA3 0.529 4.488 3.960 -0.001 0.000 0.291 208 G C -1.209 173.732 174.900 0.068 0.000 1.445 208 G CA 0.131 45.217 45.100 -0.024 0.000 0.814 208 G HN 1.035 nan 8.290 nan 0.000 0.495 209 V N -1.890 118.063 119.914 0.065 0.000 2.604 209 V HA 0.848 4.968 4.120 -0.001 0.000 0.305 209 V C -1.069 175.176 176.094 0.251 0.000 1.043 209 V CA -1.272 61.156 62.300 0.214 0.000 0.888 209 V CB 1.404 33.321 31.823 0.157 0.000 0.995 209 V HN 0.485 nan 8.190 nan 0.000 0.429 210 F N 4.033 124.083 119.950 0.167 0.000 2.420 210 F HA 0.723 5.249 4.527 -0.001 0.000 0.342 210 F C -0.118 175.905 175.800 0.372 0.000 1.113 210 F CA -1.039 57.086 58.000 0.208 0.000 1.059 210 F CB 1.742 40.732 39.000 -0.016 0.000 1.128 210 F HN 0.335 nan 8.300 nan 0.000 0.475 211 L N 4.091 125.626 121.223 0.520 0.000 2.280 211 L HA 0.329 4.668 4.340 -0.001 0.000 0.287 211 L C 0.059 177.330 176.870 0.669 0.000 1.023 211 L CA -0.274 54.883 54.840 0.528 0.000 0.819 211 L CB 0.553 42.757 42.059 0.241 0.000 1.212 211 L HN 0.513 nan 8.230 nan 0.000 0.420 212 D N 2.056 122.847 120.400 0.652 0.000 2.451 212 D HA 0.150 4.789 4.640 -0.001 0.000 0.259 212 D C 1.691 178.169 176.300 0.298 0.000 1.201 212 D CA -0.316 53.975 54.000 0.485 0.000 1.028 212 D CB 1.079 42.231 40.800 0.588 0.000 1.095 212 D HN 0.548 nan 8.370 nan 0.000 0.539 213 I N -0.689 119.896 120.570 0.026 0.000 2.730 213 I HA -0.298 3.872 4.170 -0.001 0.000 0.266 213 I C 1.092 177.105 176.117 -0.172 0.000 1.228 213 I CA 1.376 62.574 61.300 -0.171 0.000 1.445 213 I CB -0.567 37.310 38.000 -0.206 0.000 1.102 213 I HN 0.263 nan 8.210 nan 0.000 0.464 214 H N 0.467 119.515 119.070 -0.036 0.000 2.546 214 H HA -0.098 4.457 4.556 -0.001 0.000 0.277 214 H C 1.762 177.004 175.328 -0.144 0.000 1.004 214 H CA 1.779 57.695 56.048 -0.220 0.000 1.231 214 H CB -0.344 29.067 29.762 -0.585 0.000 1.382 214 H HN 0.789 nan 8.280 nan 0.000 0.580 215 Y N -1.008 119.294 120.300 0.004 0.000 2.516 215 Y HA 0.157 4.706 4.550 -0.001 0.000 0.291 215 Y C 0.557 176.404 175.900 -0.088 0.000 1.131 215 Y CA -0.358 57.609 58.100 -0.222 0.000 1.281 215 Y CB -0.354 37.723 38.460 -0.638 0.000 1.013 215 Y HN -0.043 nan 8.280 nan 0.000 0.554 216 M N 1.327 120.558 119.600 -0.616 0.000 2.202 216 M HA 0.089 4.568 4.480 -0.001 0.000 0.316 216 M C -0.566 175.628 176.300 -0.176 0.000 1.138 216 M CA -0.296 54.719 55.300 -0.474 0.000 1.151 216 M CB 0.373 32.574 32.600 -0.666 0.000 1.422 216 M HN 0.080 nan 8.290 nan 0.000 0.471 217 D N 0.361 120.667 120.400 -0.157 0.000 2.380 217 D HA 0.204 4.843 4.640 -0.001 0.000 0.230 217 D C -0.464 175.674 176.300 -0.270 0.000 1.154 217 D CA 0.173 54.058 54.000 -0.192 0.000 0.859 217 D CB 0.343 41.070 40.800 -0.122 0.000 1.045 217 D HN 0.609 nan 8.370 nan 0.000 0.495 218 S N 3.049 118.534 115.700 -0.358 0.000 3.641 218 S HA -0.274 4.195 4.470 -0.001 0.000 0.346 218 S C 0.109 174.517 174.600 -0.321 0.000 1.074 218 S CA 0.677 58.654 58.200 -0.371 0.000 1.026 218 S CB -1.964 61.121 63.200 -0.191 0.000 0.908 218 S HN 0.640 nan 8.310 nan 0.000 0.479 219 Y N -2.258 117.934 120.300 -0.180 0.000 4.538 219 Y HA -0.272 4.277 4.550 -0.001 0.000 0.225 219 Y C 0.707 176.455 175.900 -0.253 0.000 1.074 219 Y CA 1.062 59.035 58.100 -0.213 0.000 1.942 219 Y CB -1.981 36.424 38.460 -0.091 0.000 1.618 219 Y HN 0.498 nan 8.280 nan 0.000 0.642 220 K N 1.329 121.584 120.400 -0.243 0.000 2.339 220 K HA 0.377 4.696 4.320 -0.001 0.000 0.286 220 K C 0.471 176.923 176.600 -0.247 0.000 1.050 220 K CA -0.543 55.538 56.287 -0.343 0.000 0.956 220 K CB 0.673 32.874 32.500 -0.498 0.000 0.990 220 K HN 0.139 nan 8.250 nan 0.000 0.475 221 L N 3.932 125.044 121.223 -0.186 0.000 2.506 221 L HA -0.024 4.315 4.340 -0.001 0.000 0.281 221 L C 0.084 176.676 176.870 -0.463 0.000 1.228 221 L CA 0.121 54.649 54.840 -0.521 0.000 0.850 221 L CB -0.374 41.312 42.059 -0.622 0.000 1.110 221 L HN 0.694 nan 8.230 nan 0.000 0.496 222 F N -0.058 119.511 119.950 -0.635 0.000 3.071 222 F HA -0.217 4.309 4.527 -0.001 0.000 0.295 222 F C 0.600 176.253 175.800 -0.244 0.000 0.919 222 F CA 0.842 58.354 58.000 -0.813 0.000 1.050 222 F CB -2.641 36.105 39.000 -0.424 0.000 1.040 222 F HN 0.699 nan 8.300 nan 0.000 0.692 223 T N -4.417 110.045 114.554 -0.154 0.000 2.883 223 T HA 0.723 5.072 4.350 -0.001 0.000 0.296 223 T C -0.858 173.858 174.700 0.026 0.000 1.117 223 T CA -1.006 61.147 62.100 0.088 0.000 1.006 223 T CB 2.028 70.949 68.868 0.089 0.000 1.191 223 T HN 0.191 nan 8.240 nan 0.000 0.508 224 W N 1.013 122.506 121.300 0.321 0.000 2.632 224 W HA 0.438 5.097 4.660 -0.001 0.000 0.328 224 W C 0.448 177.118 176.519 0.252 0.000 1.044 224 W CA -0.820 56.729 57.345 0.341 0.000 1.225 224 W CB 1.044 30.692 29.460 0.314 0.000 1.396 224 W HN 0.764 nan 8.180 nan 0.000 0.499 225 H N 6.124 125.473 119.070 0.464 0.000 3.046 225 H HA -0.015 4.540 4.556 -0.001 0.000 0.303 225 H C -1.227 174.262 175.328 0.268 0.000 1.002 225 H CA -0.536 55.695 56.048 0.305 0.000 1.460 225 H CB 1.201 31.184 29.762 0.367 0.000 1.493 225 H HN 0.201 nan 8.280 nan 0.000 0.559 226 P HA -0.184 nan 4.420 nan 0.000 0.221 226 P C 0.343 177.487 177.300 -0.261 0.000 1.145 226 P CA 1.447 64.413 63.100 -0.223 0.000 0.795 226 P CB 0.113 31.495 31.700 -0.529 0.000 0.775 227 Y N -0.612 119.943 120.300 0.424 0.000 2.558 227 Y HA 0.248 4.798 4.550 -0.001 0.000 0.273 227 Y C 2.727 178.776 175.900 0.248 0.000 1.100 227 Y CA 0.203 58.497 58.100 0.323 0.000 1.276 227 Y CB -0.448 38.200 38.460 0.314 0.000 1.196 227 Y HN -0.209 nan 8.280 nan 0.000 0.527 228 R N -0.861 119.911 120.500 0.453 0.000 2.173 228 R HA 0.106 4.445 4.340 -0.001 0.000 0.208 228 R C -0.415 175.742 176.300 -0.237 0.000 1.035 228 R CA 0.873 57.017 56.100 0.073 0.000 1.004 228 R CB 0.080 30.415 30.300 0.059 0.000 0.917 228 R HN 0.112 nan 8.270 nan 0.000 0.462 229 F N -0.240 119.888 119.950 0.297 0.000 2.564 229 F HA 0.337 4.863 4.527 -0.001 0.000 0.329 229 F C -1.997 173.857 175.800 0.090 0.000 1.458 229 F CA -2.314 55.808 58.000 0.203 0.000 1.117 229 F CB 1.644 40.891 39.000 0.411 0.000 1.383 229 F HN -0.178 nan 8.300 nan 0.000 0.571 230 P HA -0.124 nan 4.420 nan 0.000 0.217 230 P C -0.167 177.119 177.300 -0.023 0.000 1.150 230 P CA 1.466 64.593 63.100 0.046 0.000 0.832 230 P CB 0.290 32.007 31.700 0.029 0.000 0.787 231 E N -0.743 119.413 120.200 -0.072 0.000 3.406 231 E HA 0.123 4.473 4.350 -0.001 0.000 0.210 231 E C -1.775 174.672 176.600 -0.256 0.000 1.167 231 E CA -1.647 54.669 56.400 -0.140 0.000 1.132 231 E CB 0.595 30.233 29.700 -0.103 0.000 1.309 231 E HN 0.283 nan 8.360 nan 0.000 0.424 232 P HA -0.264 nan 4.420 nan 0.000 0.216 232 P C 1.322 178.304 177.300 -0.530 0.000 1.150 232 P CA 1.198 63.803 63.100 -0.824 0.000 0.843 232 P CB 0.423 31.060 31.700 -1.771 0.000 0.787 233 K N 0.538 120.717 120.400 -0.368 0.000 2.097 233 K HA -0.167 4.152 4.320 -0.001 0.000 0.206 233 K C 2.409 178.882 176.600 -0.212 0.000 1.049 233 K CA 1.404 57.537 56.287 -0.256 0.000 0.933 233 K CB -0.190 32.204 32.500 -0.176 0.000 0.717 233 K HN -0.036 nan 8.250 nan 0.000 0.442 234 K N 0.665 120.952 120.400 -0.188 0.000 2.025 234 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 234 K C 2.192 178.696 176.600 -0.159 0.000 1.049 234 K CA 1.128 57.328 56.287 -0.146 0.000 0.933 234 K CB -0.158 32.272 32.500 -0.117 0.000 0.714 234 K HN 0.107 nan 8.250 nan 0.000 0.438 235 L N 1.776 122.888 121.223 -0.185 0.000 1.989 235 L HA -0.166 4.174 4.340 -0.001 0.000 0.211 235 L C 2.046 178.791 176.870 -0.208 0.000 1.071 235 L CA 1.675 56.420 54.840 -0.158 0.000 0.749 235 L CB -0.385 41.600 42.059 -0.123 0.000 0.890 235 L HN 0.256 nan 8.230 nan 0.000 0.431 236 I N -0.158 120.237 120.570 -0.291 0.000 2.163 236 I HA -0.311 3.859 4.170 -0.001 0.000 0.243 236 I C 2.109 177.962 176.117 -0.441 0.000 1.085 236 I CA 1.538 62.587 61.300 -0.418 0.000 1.347 236 I CB -0.614 37.141 38.000 -0.407 0.000 1.044 236 I HN 0.345 nan 8.210 nan 0.000 0.408 237 D N 0.644 120.892 120.400 -0.254 0.000 2.117 237 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 237 D C 2.114 178.348 176.300 -0.109 0.000 0.987 237 D CA 1.235 55.148 54.000 -0.145 0.000 0.829 237 D CB -0.226 40.516 40.800 -0.096 0.000 0.961 237 D HN 0.418 nan 8.370 nan 0.000 0.460 238 E N 0.223 120.351 120.200 -0.119 0.000 2.051 238 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 238 E C 2.394 178.947 176.600 -0.078 0.000 0.991 238 E CA 0.501 56.849 56.400 -0.085 0.000 0.799 238 E CB -0.064 29.586 29.700 -0.083 0.000 0.748 238 E HN 0.246 nan 8.360 nan 0.000 0.449 239 L N -0.033 121.118 121.223 -0.120 0.000 2.046 239 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 239 L C 2.360 179.223 176.870 -0.012 0.000 1.077 239 L CA 1.413 56.199 54.840 -0.091 0.000 0.747 239 L CB -0.574 41.404 42.059 -0.134 0.000 0.896 239 L HN 0.278 nan 8.230 nan 0.000 0.432 240 H N -0.403 118.605 119.070 -0.103 0.000 2.353 240 H HA -0.196 4.359 4.556 -0.001 0.000 0.300 240 H C 2.253 177.526 175.328 -0.091 0.000 1.090 240 H CA 1.099 57.080 56.048 -0.112 0.000 1.327 240 H CB 0.145 29.841 29.762 -0.110 0.000 1.383 240 H HN 0.207 nan 8.280 nan 0.000 0.508 241 K N 1.406 121.837 120.400 0.051 0.000 2.211 241 K HA -0.139 4.180 4.320 -0.001 0.000 0.204 241 K C 1.336 177.929 176.600 -0.012 0.000 1.047 241 K CA 1.194 57.483 56.287 0.003 0.000 0.935 241 K CB 0.120 32.611 32.500 -0.016 0.000 0.728 241 K HN 0.261 nan 8.250 nan 0.000 0.452 242 R N 0.100 120.591 120.500 -0.014 0.000 2.427 242 R HA 0.110 4.450 4.340 -0.001 0.000 0.262 242 R C -0.111 176.171 176.300 -0.030 0.000 0.943 242 R CA 0.131 56.216 56.100 -0.025 0.000 1.081 242 R CB -0.197 30.086 30.300 -0.029 0.000 1.166 242 R HN 0.355 nan 8.270 nan 0.000 0.534 243 N N 0.409 119.089 118.700 -0.033 0.000 2.754 243 N HA -0.162 4.577 4.740 -0.001 0.000 0.248 243 N C -1.288 174.173 175.510 -0.081 0.000 1.093 243 N CA 0.016 53.027 53.050 -0.065 0.000 0.699 243 N CB -0.293 38.158 38.487 -0.061 0.000 1.016 243 N HN -0.060 nan 8.380 nan 0.000 0.552 244 V N 1.448 121.329 119.914 -0.055 0.000 2.448 244 V HA 0.382 4.501 4.120 -0.001 0.000 0.295 244 V C 0.380 176.417 176.094 -0.094 0.000 1.025 244 V CA -0.795 61.458 62.300 -0.078 0.000 0.859 244 V CB 1.826 33.621 31.823 -0.047 0.000 0.988 244 V HN 0.058 nan 8.190 nan 0.000 0.431 245 K N 3.066 123.314 120.400 -0.254 0.000 2.168 245 K HA 0.515 4.834 4.320 -0.001 0.000 0.258 245 K C -0.672 175.809 176.600 -0.198 0.000 1.010 245 K CA -0.572 55.498 56.287 -0.362 0.000 0.929 245 K CB 1.629 33.585 32.500 -0.906 0.000 0.998 245 K HN 0.465 nan 8.250 nan 0.000 0.479 246 L N 2.668 123.808 121.223 -0.138 0.000 2.325 246 L HA 0.418 4.757 4.340 -0.001 0.000 0.281 246 L C -1.332 175.478 176.870 -0.099 0.000 1.004 246 L CA -0.502 54.279 54.840 -0.099 0.000 0.823 246 L CB 0.989 43.001 42.059 -0.078 0.000 1.236 246 L HN 0.399 nan 8.230 nan 0.000 0.415 247 I N 3.997 124.444 120.570 -0.204 0.000 2.389 247 I HA 0.511 4.680 4.170 -0.001 0.000 0.288 247 I C 0.092 176.202 176.117 -0.013 0.000 0.999 247 I CA -0.133 61.033 61.300 -0.223 0.000 1.129 247 I CB 2.057 39.498 38.000 -0.931 0.000 1.288 247 I HN 0.706 nan 8.210 nan 0.000 0.444 248 T N 4.239 118.904 114.554 0.184 0.000 2.824 248 T HA 0.652 5.001 4.350 -0.001 0.000 0.280 248 T C -0.033 174.907 174.700 0.401 0.000 0.995 248 T CA -0.663 61.591 62.100 0.257 0.000 1.009 248 T CB 1.336 70.327 68.868 0.205 0.000 0.955 248 T HN 0.453 nan 8.240 nan 0.000 0.452 249 I N 2.897 123.739 120.570 0.453 0.000 2.634 249 I HA 0.453 4.623 4.170 -0.001 0.000 0.284 249 I C -0.996 175.134 176.117 0.021 0.000 1.124 249 I CA -0.360 61.013 61.300 0.122 0.000 1.417 249 I CB 0.603 38.377 38.000 -0.376 0.000 1.396 249 I HN 0.499 nan 8.210 nan 0.000 0.571 250 V N 7.178 127.061 119.914 -0.053 0.000 2.567 250 V HA 0.308 4.427 4.120 -0.001 0.000 0.298 250 V C -0.458 175.665 176.094 0.048 0.000 1.047 250 V CA -0.866 61.378 62.300 -0.093 0.000 0.880 250 V CB 1.467 33.257 31.823 -0.054 0.000 1.009 250 V HN 0.709 nan 8.190 nan 0.000 0.429 251 D N 2.401 122.840 120.400 0.066 0.000 2.478 251 D HA 0.264 4.904 4.640 -0.001 0.000 0.274 251 D C 0.705 177.277 176.300 0.452 0.000 1.234 251 D CA -0.196 53.958 54.000 0.256 0.000 1.069 251 D CB 0.714 41.678 40.800 0.274 0.000 1.113 251 D HN 0.811 nan 8.370 nan 0.000 0.571 252 H N -1.867 117.378 119.070 0.293 0.000 2.755 252 H HA 0.279 4.835 4.556 -0.001 0.000 0.273 252 H C 0.411 176.019 175.328 0.467 0.000 1.055 252 H CA -0.389 55.919 56.048 0.433 0.000 1.191 252 H CB -0.234 29.829 29.762 0.500 0.000 1.536 252 H HN 0.214 nan 8.280 nan 0.000 0.529 253 G N 2.428 111.190 108.800 -0.064 0.000 2.333 253 G HA2 0.447 4.407 3.960 -0.001 0.000 0.290 253 G HA3 0.447 4.407 3.960 -0.001 0.000 0.290 253 G C -0.379 174.456 174.900 -0.109 0.000 1.150 253 G CA -0.483 44.439 45.100 -0.298 0.000 0.895 253 G HN 0.184 nan 8.290 nan 0.000 0.444 254 I N 2.359 122.840 120.570 -0.147 0.000 2.304 254 I HA 0.252 4.421 4.170 -0.001 0.000 0.291 254 I C 0.871 176.905 176.117 -0.138 0.000 1.018 254 I CA -0.820 60.537 61.300 0.095 0.000 1.260 254 I CB 1.215 39.365 38.000 0.250 0.000 1.390 254 I HN 0.546 nan 8.210 nan 0.000 0.475 255 R N 5.273 125.693 120.500 -0.132 0.000 2.522 255 R HA 0.161 4.501 4.340 -0.001 0.000 0.284 255 R C -0.642 175.370 176.300 -0.480 0.000 1.032 255 R CA -0.195 55.697 56.100 -0.346 0.000 1.049 255 R CB 0.610 30.613 30.300 -0.496 0.000 0.956 255 R HN 0.429 nan 8.270 nan 0.000 0.422 256 V N 5.924 125.440 119.914 -0.662 0.000 2.242 256 V HA 0.037 4.156 4.120 -0.001 0.000 0.242 256 V C -0.013 175.598 176.094 -0.805 0.000 1.240 256 V CA 0.432 62.059 62.300 -1.123 0.000 1.211 256 V CB -0.067 31.333 31.823 -0.704 0.000 1.338 256 V HN 0.697 nan 8.190 nan 0.000 0.499 257 D N 2.807 122.751 120.400 -0.761 0.000 2.593 257 D HA 0.225 4.864 4.640 -0.001 0.000 0.251 257 D C 0.807 177.126 176.300 0.032 0.000 1.140 257 D CA -0.514 53.341 54.000 -0.241 0.000 0.855 257 D CB 2.194 42.929 40.800 -0.108 0.000 1.267 257 D HN 0.374 nan 8.370 nan 0.000 0.532 258 Q N 2.007 121.851 119.800 0.074 0.000 2.234 258 Q HA -0.135 4.205 4.340 -0.001 0.000 0.206 258 Q C 0.296 176.413 176.000 0.196 0.000 0.980 258 Q CA 1.469 57.381 55.803 0.182 0.000 0.869 258 Q CB 0.139 28.939 28.738 0.104 0.000 0.912 258 Q HN 0.419 nan 8.270 nan 0.000 0.436 259 N N -1.174 117.632 118.700 0.176 0.000 2.282 259 N HA 0.045 4.784 4.740 -0.001 0.000 0.240 259 N C -1.378 174.275 175.510 0.238 0.000 1.182 259 N CA -0.178 52.973 53.050 0.169 0.000 0.874 259 N CB 0.719 39.274 38.487 0.114 0.000 1.126 259 N HN 0.086 nan 8.380 nan 0.000 0.516 260 Y N 1.121 121.504 120.300 0.139 0.000 2.434 260 Y HA 0.335 4.884 4.550 -0.001 0.000 0.341 260 Y C 1.417 177.455 175.900 0.229 0.000 0.965 260 Y CA -0.973 57.218 58.100 0.151 0.000 1.205 260 Y CB 0.703 39.228 38.460 0.109 0.000 1.121 260 Y HN -0.056 nan 8.280 nan 0.000 0.507 261 S N 5.820 121.471 115.700 -0.082 0.000 2.378 261 S HA -0.176 4.293 4.470 -0.001 0.000 0.229 261 S C -0.738 173.791 174.600 -0.118 0.000 1.052 261 S CA 2.389 60.537 58.200 -0.087 0.000 1.084 261 S CB -0.703 62.465 63.200 -0.053 0.000 0.950 261 S HN 0.730 nan 8.310 nan 0.000 0.440 262 P HA -0.063 nan 4.420 nan 0.000 0.218 262 P C 1.183 178.692 177.300 0.349 0.000 1.148 262 P CA 0.838 63.964 63.100 0.044 0.000 0.822 262 P CB -0.128 31.522 31.700 -0.083 0.000 0.784 263 F N 0.232 120.213 119.950 0.051 0.000 2.146 263 F HA -0.117 4.409 4.527 -0.001 0.000 0.298 263 F C 1.851 177.801 175.800 0.250 0.000 1.096 263 F CA 1.419 59.586 58.000 0.277 0.000 1.275 263 F CB -0.941 38.203 39.000 0.241 0.000 1.008 263 F HN -0.249 nan 8.300 nan 0.000 0.480 264 L N -0.175 121.075 121.223 0.045 0.000 2.056 264 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 264 L C 2.677 179.477 176.870 -0.117 0.000 1.078 264 L CA 1.468 56.246 54.840 -0.103 0.000 0.749 264 L CB -1.128 40.938 42.059 0.011 0.000 0.901 264 L HN 0.295 nan 8.230 nan 0.000 0.433 265 S N -0.345 115.352 115.700 -0.005 0.000 2.436 265 S HA -0.035 4.434 4.470 -0.001 0.000 0.228 265 S C 1.918 176.326 174.600 -0.320 0.000 1.014 265 S CA 0.682 58.881 58.200 -0.002 0.000 0.950 265 S CB -0.458 62.890 63.200 0.246 0.000 0.784 265 S HN 0.391 nan 8.310 nan 0.000 0.504 266 G N 0.835 109.344 108.800 -0.485 0.000 2.712 266 G HA2 0.166 4.125 3.960 -0.001 0.000 0.212 266 G HA3 0.166 4.125 3.960 -0.001 0.000 0.212 266 G C 0.427 174.356 174.900 -1.617 0.000 1.142 266 G CA -0.182 43.963 45.100 -1.591 0.000 0.789 266 G HN 0.452 nan 8.290 nan 0.000 0.535 267 M N 1.383 120.469 119.600 -0.857 0.000 2.286 267 M HA 0.358 4.838 4.480 -0.001 0.000 0.365 267 M C 1.461 177.399 176.300 -0.603 0.000 1.443 267 M CA 0.782 55.717 55.300 -0.608 0.000 0.951 267 M CB 0.150 32.532 32.600 -0.363 0.000 1.961 267 M HN 0.494 nan 8.290 nan 0.000 0.468 268 G N 4.125 112.627 108.800 -0.497 0.000 2.232 268 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.226 268 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.226 268 G C 0.727 175.373 174.900 -0.423 0.000 0.996 268 G CA 0.330 45.209 45.100 -0.368 0.000 0.626 268 G HN 0.653 nan 8.290 nan 0.000 0.509 269 K N -0.159 119.812 120.400 -0.716 0.000 2.414 269 K HA 0.422 4.741 4.320 -0.001 0.000 0.204 269 K C -0.135 176.197 176.600 -0.447 0.000 1.026 269 K CA -0.429 55.507 56.287 -0.585 0.000 1.108 269 K CB 0.380 32.455 32.500 -0.708 0.000 0.855 269 K HN 0.249 nan 8.250 nan 0.000 0.517 270 F N 0.551 120.424 119.950 -0.127 0.000 2.370 270 F HA 0.195 4.721 4.527 -0.001 0.000 0.319 270 F C 1.009 176.877 175.800 0.115 0.000 1.129 270 F CA -1.792 56.203 58.000 -0.008 0.000 1.109 270 F CB 0.318 39.309 39.000 -0.016 0.000 1.262 270 F HN -0.112 nan 8.300 nan 0.000 0.534 271 C N 1.475 121.043 119.300 0.446 0.000 2.652 271 C HA 0.337 4.796 4.460 -0.001 0.000 0.412 271 C C 0.421 175.577 174.990 0.276 0.000 1.294 271 C CA -0.613 58.624 59.018 0.366 0.000 2.127 271 C CB -0.626 27.383 27.740 0.448 0.000 2.691 271 C HN 0.713 nan 8.230 nan 0.000 0.615 272 E N 1.022 121.323 120.200 0.170 0.000 2.370 272 E HA 0.725 5.074 4.350 -0.001 0.000 0.259 272 E C -0.732 175.884 176.600 0.027 0.000 0.947 272 E CA -0.676 55.803 56.400 0.132 0.000 0.809 272 E CB 1.406 31.193 29.700 0.146 0.000 1.300 272 E HN 0.683 nan 8.360 nan 0.000 0.419 273 I N -2.097 118.486 120.570 0.022 0.000 2.863 273 I HA 0.386 4.556 4.170 -0.001 0.000 0.311 273 I C 0.996 177.086 176.117 -0.044 0.000 1.026 273 I CA -0.903 60.368 61.300 -0.049 0.000 1.077 273 I CB 1.403 39.393 38.000 -0.018 0.000 1.262 273 I HN 0.320 nan 8.210 nan 0.000 0.461 274 E N 1.957 122.116 120.200 -0.069 0.000 2.113 274 E HA -0.255 4.094 4.350 -0.001 0.000 0.210 274 E C 2.082 178.665 176.600 -0.028 0.000 1.040 274 E CA 2.485 58.850 56.400 -0.058 0.000 0.847 274 E CB -0.391 29.274 29.700 -0.057 0.000 0.755 274 E HN 0.866 nan 8.360 nan 0.000 0.459 275 S N -1.250 114.440 115.700 -0.017 0.000 2.547 275 S HA 0.050 4.519 4.470 -0.001 0.000 0.235 275 S C 1.581 176.187 174.600 0.010 0.000 0.980 275 S CA 1.125 59.323 58.200 -0.004 0.000 0.941 275 S CB 0.175 63.373 63.200 -0.003 0.000 0.763 275 S HN 0.452 nan 8.310 nan 0.000 0.532 276 G N 0.188 109.001 108.800 0.021 0.000 2.259 276 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.217 276 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.217 276 G C -0.124 174.804 174.900 0.048 0.000 1.001 276 G CA -0.078 45.046 45.100 0.040 0.000 0.627 276 G HN 0.576 nan 8.290 nan 0.000 0.501 277 E N 0.502 120.727 120.200 0.041 0.000 2.376 277 E HA 0.659 5.008 4.350 -0.001 0.000 0.254 277 E C 0.982 177.626 176.600 0.073 0.000 1.213 277 E CA -0.500 55.929 56.400 0.047 0.000 0.945 277 E CB 0.705 30.426 29.700 0.036 0.000 1.057 277 E HN 0.364 nan 8.360 nan 0.000 0.479 278 L N 1.268 122.536 121.223 0.076 0.000 2.452 278 L HA 0.148 4.488 4.340 -0.001 0.000 0.267 278 L C 0.083 177.018 176.870 0.108 0.000 1.188 278 L CA -0.436 54.466 54.840 0.102 0.000 0.821 278 L CB 0.173 42.279 42.059 0.079 0.000 1.102 278 L HN 0.465 nan 8.230 nan 0.000 0.470 279 F N 3.137 123.066 119.950 -0.035 0.000 2.413 279 F HA 0.364 4.891 4.527 -0.001 0.000 0.359 279 F C -0.393 175.339 175.800 -0.114 0.000 1.122 279 F CA -0.759 57.179 58.000 -0.103 0.000 1.160 279 F CB 0.474 39.369 39.000 -0.174 0.000 1.146 279 F HN -0.047 nan 8.300 nan 0.000 0.514 280 V N 7.334 126.968 119.914 -0.467 0.000 2.370 280 V HA 0.734 4.853 4.120 -0.001 0.000 0.283 280 V C 0.508 176.158 176.094 -0.740 0.000 1.023 280 V CA -0.026 61.927 62.300 -0.578 0.000 0.857 280 V CB 0.557 32.206 31.823 -0.290 0.000 0.985 280 V HN 0.994 nan 8.190 nan 0.000 0.443 281 G N 4.369 112.669 108.800 -0.833 0.000 3.257 281 G HA2 0.661 4.620 3.960 -0.001 0.000 0.205 281 G HA3 0.661 4.620 3.960 -0.001 0.000 0.205 281 G C -1.081 173.640 174.900 -0.299 0.000 1.234 281 G CA -0.605 44.172 45.100 -0.538 0.000 0.918 281 G HN 0.422 nan 8.290 nan 0.000 0.602 282 K N 0.012 120.329 120.400 -0.139 0.000 2.443 282 K HA 0.646 4.965 4.320 -0.001 0.000 0.252 282 K C -0.915 175.683 176.600 -0.003 0.000 0.933 282 K CA -0.585 55.663 56.287 -0.066 0.000 0.792 282 K CB 2.240 34.751 32.500 0.019 0.000 1.185 282 K HN 0.371 nan 8.250 nan 0.000 0.425 283 M N 0.324 119.900 119.600 -0.041 0.000 3.557 283 M HA 0.249 4.728 4.480 -0.001 0.000 0.301 283 M C 0.236 176.523 176.300 -0.023 0.000 1.451 283 M CA -0.604 54.644 55.300 -0.086 0.000 0.816 283 M CB 0.747 33.226 32.600 -0.202 0.000 1.848 283 M HN 0.677 nan 8.290 nan 0.000 0.456 284 W N 1.379 122.688 121.300 0.015 0.000 2.304 284 W HA -0.180 4.479 4.660 -0.001 0.000 0.315 284 W C -0.780 175.627 176.519 -0.185 0.000 1.233 284 W CA 1.026 58.237 57.345 -0.223 0.000 1.261 284 W CB -1.708 27.558 29.460 -0.322 0.000 1.150 284 W HN 0.494 nan 8.180 nan 0.000 0.494 285 P HA 0.068 nan 4.420 nan 0.000 0.234 285 P C 0.789 178.080 177.300 -0.015 0.000 1.167 285 P CA 2.061 65.195 63.100 0.058 0.000 0.763 285 P CB 0.059 31.701 31.700 -0.096 0.000 0.835 286 G N -1.571 107.216 108.800 -0.022 0.000 2.601 286 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.224 286 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.224 286 G C -0.490 174.332 174.900 -0.130 0.000 1.171 286 G CA -0.304 44.765 45.100 -0.051 0.000 1.009 286 G HN 0.057 nan 8.290 nan 0.000 0.589 287 T N 2.128 116.582 114.554 -0.168 0.000 2.867 287 T HA 0.514 4.863 4.350 -0.001 0.000 0.297 287 T C 0.670 175.165 174.700 -0.341 0.000 0.989 287 T CA 1.361 63.320 62.100 -0.236 0.000 1.159 287 T CB 0.405 69.140 68.868 -0.223 0.000 0.928 287 T HN 1.539 nan 8.240 nan 0.000 0.538 288 T N -0.404 113.886 114.554 -0.440 0.000 2.864 288 T HA 0.752 5.102 4.350 -0.001 0.000 0.299 288 T C -0.396 173.806 174.700 -0.829 0.000 1.166 288 T CA -0.924 60.809 62.100 -0.612 0.000 1.007 288 T CB 1.369 69.835 68.868 -0.670 0.000 1.219 288 T HN 0.523 nan 8.240 nan 0.000 0.506 289 V N -0.765 118.624 119.914 -0.874 0.000 3.046 289 V HA 0.871 4.990 4.120 -0.001 0.000 0.316 289 V C -1.676 173.878 176.094 -0.900 0.000 1.104 289 V CA -1.420 60.374 62.300 -0.842 0.000 1.006 289 V CB 1.244 32.618 31.823 -0.747 0.000 1.058 289 V HN 0.988 nan 8.190 nan 0.000 0.440 290 Y N 1.067 121.300 120.300 -0.112 0.000 2.425 290 Y HA 0.689 5.239 4.550 -0.001 0.000 0.344 290 Y C -2.533 173.584 175.900 0.361 0.000 0.969 290 Y CA -2.731 55.474 58.100 0.175 0.000 1.052 290 Y CB 2.385 41.064 38.460 0.366 0.000 1.215 290 Y HN 0.478 nan 8.280 nan 0.000 0.451 291 P HA -0.029 nan 4.420 nan 0.000 0.271 291 P C -0.512 176.743 177.300 -0.075 0.000 1.216 291 P CA -0.052 63.107 63.100 0.098 0.000 0.771 291 P CB 1.149 32.706 31.700 -0.238 0.000 0.864 292 D N 2.704 123.144 120.400 0.068 0.000 2.517 292 D HA 0.089 4.729 4.640 -0.001 0.000 0.220 292 D C 0.552 176.866 176.300 0.023 0.000 1.158 292 D CA -0.487 53.685 54.000 0.286 0.000 0.992 292 D CB -0.772 40.272 40.800 0.408 0.000 1.058 292 D HN 0.089 nan 8.370 nan 0.000 0.516 293 F N 1.367 121.274 119.950 -0.071 0.000 2.449 293 F HA -0.066 4.460 4.527 -0.001 0.000 0.299 293 F C 1.606 177.129 175.800 -0.462 0.000 1.092 293 F CA 0.418 58.208 58.000 -0.351 0.000 1.446 293 F CB -0.513 38.059 39.000 -0.713 0.000 1.084 293 F HN 0.351 nan 8.300 nan 0.000 0.567 294 F N -0.111 119.743 119.950 -0.160 0.000 2.502 294 F HA -0.001 4.525 4.527 -0.001 0.000 0.298 294 F C 1.289 176.933 175.800 -0.260 0.000 1.111 294 F CA 0.501 58.220 58.000 -0.468 0.000 1.445 294 F CB -0.429 38.395 39.000 -0.293 0.000 1.081 294 F HN -0.287 nan 8.300 nan 0.000 0.558 295 R N 0.644 121.194 120.500 0.083 0.000 2.349 295 R HA 0.140 4.479 4.340 -0.001 0.000 0.299 295 R C 1.163 177.502 176.300 0.063 0.000 1.027 295 R CA -0.300 55.850 56.100 0.084 0.000 0.958 295 R CB 0.836 31.192 30.300 0.095 0.000 1.047 295 R HN 0.212 nan 8.270 nan 0.000 0.468 296 E N 1.523 121.762 120.200 0.064 0.000 2.077 296 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 296 E C 1.232 177.889 176.600 0.095 0.000 0.989 296 E CA 1.692 58.141 56.400 0.082 0.000 0.800 296 E CB 0.116 29.859 29.700 0.071 0.000 0.746 296 E HN 0.664 nan 8.360 nan 0.000 0.452 297 D N 0.061 120.500 120.400 0.066 0.000 2.144 297 D HA -0.150 4.489 4.640 -0.001 0.000 0.199 297 D C 1.763 178.139 176.300 0.127 0.000 0.984 297 D CA 1.366 55.406 54.000 0.067 0.000 0.834 297 D CB -0.798 40.002 40.800 -0.000 0.000 0.955 297 D HN 0.007 nan 8.370 nan 0.000 0.465 298 T N 0.257 114.874 114.554 0.106 0.000 2.708 298 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 298 T C 2.066 176.999 174.700 0.390 0.000 1.037 298 T CA 1.358 63.569 62.100 0.184 0.000 1.146 298 T CB -0.155 68.734 68.868 0.034 0.000 0.865 298 T HN 0.119 nan 8.240 nan 0.000 0.435 299 R N 0.719 121.397 120.500 0.296 0.000 2.105 299 R HA -0.059 4.280 4.340 -0.001 0.000 0.239 299 R C 2.512 179.002 176.300 0.316 0.000 1.135 299 R CA 1.437 57.738 56.100 0.335 0.000 0.967 299 R CB -0.111 30.319 30.300 0.217 0.000 0.861 299 R HN 0.494 nan 8.270 nan 0.000 0.442 300 E N -0.911 119.437 120.200 0.247 0.000 2.072 300 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 300 E C 1.615 178.346 176.600 0.217 0.000 0.985 300 E CA 1.166 57.680 56.400 0.190 0.000 0.801 300 E CB -0.154 29.631 29.700 0.142 0.000 0.750 300 E HN 0.432 nan 8.360 nan 0.000 0.452 301 W N 0.963 122.320 121.300 0.096 0.000 2.355 301 W HA -0.205 4.454 4.660 -0.001 0.000 0.309 301 W C 2.001 178.608 176.519 0.146 0.000 1.206 301 W CA 1.572 58.961 57.345 0.073 0.000 1.284 301 W CB -0.704 28.776 29.460 0.034 0.000 1.145 301 W HN 0.269 nan 8.180 nan 0.000 0.502 302 W N 1.318 122.549 121.300 -0.115 0.000 2.381 302 W HA -0.181 4.479 4.660 -0.001 0.000 0.301 302 W C 2.095 178.482 176.519 -0.220 0.000 1.205 302 W CA 2.642 59.811 57.345 -0.293 0.000 1.285 302 W CB -0.866 28.737 29.460 0.238 0.000 1.133 302 W HN 0.036 nan 8.180 nan 0.000 0.521 303 A N 1.132 124.013 122.820 0.101 0.000 1.940 303 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 303 A C 2.270 179.740 177.584 -0.191 0.000 1.176 303 A CA 2.325 54.354 52.037 -0.013 0.000 0.631 303 A CB -1.583 17.457 19.000 0.065 0.000 0.814 303 A HN 0.364 nan 8.150 nan 0.000 0.446 304 G N -0.314 108.359 108.800 -0.212 0.000 2.402 304 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.216 304 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.216 304 G C 1.536 176.183 174.900 -0.421 0.000 1.162 304 G CA 0.963 45.909 45.100 -0.256 0.000 0.777 304 G HN 0.437 nan 8.290 nan 0.000 0.539 305 L N 0.374 121.185 121.223 -0.686 0.000 2.093 305 L HA -0.035 4.304 4.340 -0.001 0.000 0.208 305 L C 2.796 179.083 176.870 -0.972 0.000 1.085 305 L CA 0.369 54.607 54.840 -1.003 0.000 0.755 305 L CB -0.352 40.791 42.059 -1.527 0.000 0.904 305 L HN 0.130 nan 8.230 nan 0.000 0.435 306 I N -0.600 119.499 120.570 -0.785 0.000 2.202 306 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 306 I C 2.807 178.749 176.117 -0.292 0.000 1.091 306 I CA 1.435 62.453 61.300 -0.470 0.000 1.368 306 I CB -1.036 36.748 38.000 -0.360 0.000 1.058 306 I HN 0.226 nan 8.210 nan 0.000 0.410 307 S N 0.267 115.789 115.700 -0.297 0.000 2.370 307 S HA -0.268 4.201 4.470 -0.001 0.000 0.226 307 S C 2.027 176.513 174.600 -0.190 0.000 1.033 307 S CA 1.914 59.971 58.200 -0.239 0.000 1.011 307 S CB -0.237 62.844 63.200 -0.198 0.000 0.852 307 S HN 0.467 nan 8.310 nan 0.000 0.457 308 E N -0.431 119.646 120.200 -0.204 0.000 2.077 308 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 308 E C 1.935 178.500 176.600 -0.058 0.000 0.989 308 E CA 1.196 57.511 56.400 -0.141 0.000 0.800 308 E CB -0.409 29.178 29.700 -0.188 0.000 0.746 308 E HN 0.820 nan 8.360 nan 0.000 0.452 309 W N 1.010 122.149 121.300 -0.268 0.000 2.388 309 W HA -0.153 4.507 4.660 -0.001 0.000 0.294 309 W C 1.686 178.151 176.519 -0.090 0.000 1.212 309 W CA 0.770 58.037 57.345 -0.130 0.000 1.271 309 W CB -0.054 29.359 29.460 -0.078 0.000 1.126 309 W HN 0.129 nan 8.180 nan 0.000 0.535 310 L N 1.249 122.402 121.223 -0.117 0.000 2.141 310 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 310 L C 2.770 179.530 176.870 -0.184 0.000 1.094 310 L CA 1.579 56.291 54.840 -0.213 0.000 0.763 310 L CB -0.980 40.881 42.059 -0.329 0.000 0.908 310 L HN -0.042 nan 8.230 nan 0.000 0.437 311 S N -0.541 115.068 115.700 -0.152 0.000 2.500 311 S HA -0.220 4.250 4.470 -0.001 0.000 0.239 311 S C 1.667 176.200 174.600 -0.112 0.000 0.989 311 S CA 0.856 58.991 58.200 -0.109 0.000 0.951 311 S CB -0.320 62.830 63.200 -0.084 0.000 0.759 311 S HN 0.562 nan 8.310 nan 0.000 0.523 312 Q N 0.582 120.278 119.800 -0.173 0.000 2.378 312 Q HA 0.304 4.643 4.340 -0.001 0.000 0.205 312 Q C 1.485 177.399 176.000 -0.144 0.000 0.954 312 Q CA 0.492 56.190 55.803 -0.174 0.000 0.901 312 Q CB -0.180 28.403 28.738 -0.259 0.000 0.981 312 Q HN 0.775 nan 8.270 nan 0.000 0.483 313 G N 0.113 108.843 108.800 -0.116 0.000 2.164 313 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.154 313 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.154 313 G C -0.052 174.850 174.900 0.003 0.000 1.014 313 G CA -0.415 44.685 45.100 0.001 0.000 0.683 313 G HN 0.136 nan 8.290 nan 0.000 0.500 314 V N 1.749 121.592 119.914 -0.119 0.000 2.572 314 V HA 0.209 4.328 4.120 -0.001 0.000 0.291 314 V C 1.134 177.250 176.094 0.036 0.000 1.039 314 V CA 0.748 62.998 62.300 -0.083 0.000 1.055 314 V CB 1.309 33.011 31.823 -0.202 0.000 0.969 314 V HN 0.336 nan 8.190 nan 0.000 0.482 315 D N 3.166 123.625 120.400 0.098 0.000 2.301 315 D HA 0.162 4.801 4.640 -0.001 0.000 0.206 315 D C 0.726 177.302 176.300 0.459 0.000 0.979 315 D CA 0.931 55.047 54.000 0.194 0.000 0.874 315 D CB 0.966 41.742 40.800 -0.041 0.000 0.968 315 D HN 0.688 nan 8.370 nan 0.000 0.510 316 G N 0.175 109.223 108.800 0.412 0.000 2.690 316 G HA2 0.521 4.481 3.960 -0.001 0.000 0.291 316 G HA3 0.521 4.481 3.960 -0.001 0.000 0.291 316 G C -1.380 173.830 174.900 0.517 0.000 1.403 316 G CA -0.454 45.032 45.100 0.644 0.000 0.864 316 G HN -0.117 nan 8.290 nan 0.000 0.480 317 I N 0.504 121.409 120.570 0.558 0.000 2.406 317 I HA 0.360 4.529 4.170 -0.001 0.000 0.290 317 I C -1.341 175.029 176.117 0.421 0.000 0.999 317 I CA -0.974 60.597 61.300 0.452 0.000 1.124 317 I CB 1.792 40.069 38.000 0.462 0.000 1.289 317 I HN 0.617 nan 8.210 nan 0.000 0.441 318 W N 8.852 130.277 121.300 0.208 0.000 2.299 318 W HA 0.502 5.161 4.660 -0.001 0.000 0.319 318 W C -1.372 175.255 176.519 0.181 0.000 1.008 318 W CA -1.368 56.089 57.345 0.187 0.000 1.384 318 W CB 0.512 30.119 29.460 0.246 0.000 1.220 318 W HN 0.304 nan 8.180 nan 0.000 0.402 319 L N 6.824 128.275 121.223 0.380 0.000 2.315 319 L HA 0.187 4.526 4.340 -0.001 0.000 0.283 319 L C 0.225 177.208 176.870 0.190 0.000 1.089 319 L CA 0.185 55.155 54.840 0.218 0.000 0.833 319 L CB 0.331 42.503 42.059 0.190 0.000 1.170 319 L HN 0.316 nan 8.230 nan 0.000 0.442 320 D N 3.541 123.953 120.400 0.021 0.000 2.423 320 D HA 0.468 5.107 4.640 -0.001 0.000 0.235 320 D C 0.517 176.830 176.300 0.022 0.000 1.011 320 D CA -0.332 53.700 54.000 0.053 0.000 0.963 320 D CB 1.227 41.926 40.800 -0.169 0.000 1.349 320 D HN 0.356 nan 8.370 nan 0.000 0.508 321 M N 0.568 120.169 119.600 0.003 0.000 2.835 321 M HA -0.237 4.242 4.480 -0.001 0.000 0.177 321 M C 0.085 176.101 176.300 -0.474 0.000 0.640 321 M CA 0.572 55.801 55.300 -0.118 0.000 0.635 321 M CB -2.982 29.625 32.600 0.012 0.000 2.307 321 M HN 0.611 nan 8.290 nan 0.000 0.400 322 N N 0.325 118.824 118.700 -0.336 0.000 2.410 322 N HA 0.157 4.897 4.740 -0.001 0.000 0.231 322 N C 0.739 176.117 175.510 -0.220 0.000 1.172 322 N CA 0.221 53.056 53.050 -0.358 0.000 0.849 322 N CB 0.083 38.497 38.487 -0.122 0.000 1.116 322 N HN 0.290 nan 8.380 nan 0.000 0.485 323 E N 0.763 120.800 120.200 -0.272 0.000 2.118 323 E HA -0.005 4.344 4.350 -0.001 0.000 0.195 323 E C -1.643 174.773 176.600 -0.306 0.000 0.992 323 E CA 0.903 57.178 56.400 -0.208 0.000 0.804 323 E CB -1.080 28.518 29.700 -0.169 0.000 0.741 323 E HN 0.595 nan 8.360 nan 0.000 0.458 324 P HA 0.126 nan 4.420 nan 0.000 0.286 324 P C -0.717 176.211 177.300 -0.620 0.000 1.261 324 P CA -0.004 62.613 63.100 -0.806 0.000 0.821 324 P CB 1.694 32.506 31.700 -1.480 0.000 1.013 325 T N 1.844 116.176 114.554 -0.369 0.000 2.902 325 T HA 0.449 4.798 4.350 -0.001 0.000 0.283 325 T C -0.695 173.883 174.700 -0.204 0.000 1.009 325 T CA 0.090 62.026 62.100 -0.274 0.000 1.051 325 T CB 0.750 69.414 68.868 -0.340 0.000 0.999 325 T HN 0.461 nan 8.240 nan 0.000 0.474 326 D N 0.065 120.280 120.400 -0.308 0.000 2.947 326 D HA 0.412 5.051 4.640 -0.001 0.000 0.224 326 D C -0.699 175.373 176.300 -0.381 0.000 1.230 326 D CA -0.599 53.235 54.000 -0.277 0.000 0.871 326 D CB 0.867 41.688 40.800 0.033 0.000 1.671 326 D HN 0.317 nan 8.370 nan 0.000 0.507 327 F N 1.434 121.381 119.950 -0.004 0.000 2.664 327 F HA 0.132 4.658 4.527 -0.001 0.000 0.303 327 F C 2.377 178.166 175.800 -0.018 0.000 1.092 327 F CA 0.036 58.020 58.000 -0.028 0.000 1.305 327 F CB -0.168 38.784 39.000 -0.081 0.000 1.054 327 F HN 0.394 nan 8.300 nan 0.000 0.565 328 S N 0.129 115.897 115.700 0.113 0.000 2.370 328 S HA -0.249 4.221 4.470 -0.001 0.000 0.226 328 S C 2.200 176.836 174.600 0.059 0.000 1.033 328 S CA 1.132 59.369 58.200 0.062 0.000 1.011 328 S CB -0.326 62.886 63.200 0.020 0.000 0.852 328 S HN 0.296 nan 8.310 nan 0.000 0.457 329 R N 1.645 122.186 120.500 0.068 0.000 2.066 329 R HA 0.223 4.562 4.340 -0.001 0.000 0.232 329 R C 2.750 179.065 176.300 0.025 0.000 1.131 329 R CA 1.383 57.507 56.100 0.040 0.000 0.955 329 R CB -1.020 29.304 30.300 0.040 0.000 0.851 329 R HN 0.557 nan 8.270 nan 0.000 0.432 330 A N 0.575 123.435 122.820 0.066 0.000 1.877 330 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 330 A C 2.166 179.751 177.584 0.001 0.000 1.186 330 A CA 1.435 53.496 52.037 0.039 0.000 0.620 330 A CB -0.619 18.451 19.000 0.117 0.000 0.822 330 A HN 0.262 nan 8.150 nan 0.000 0.443 331 I N -0.693 119.899 120.570 0.037 0.000 2.286 331 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 331 I C 2.540 178.652 176.117 -0.009 0.000 1.115 331 I CA 1.736 63.045 61.300 0.015 0.000 1.392 331 I CB -0.302 37.718 38.000 0.032 0.000 1.065 331 I HN 0.559 nan 8.210 nan 0.000 0.418 332 E N 1.560 121.754 120.200 -0.011 0.000 2.051 332 E HA -0.234 4.115 4.350 -0.001 0.000 0.192 332 E C 2.307 178.872 176.600 -0.057 0.000 0.991 332 E CA 1.459 57.844 56.400 -0.024 0.000 0.799 332 E CB -0.029 29.661 29.700 -0.016 0.000 0.748 332 E HN 0.428 nan 8.360 nan 0.000 0.449 333 I N 0.830 121.338 120.570 -0.103 0.000 2.226 333 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 333 I C 2.875 178.850 176.117 -0.236 0.000 1.100 333 I CA 1.071 62.249 61.300 -0.202 0.000 1.374 333 I CB -0.372 37.441 38.000 -0.312 0.000 1.057 333 I HN 0.148 nan 8.210 nan 0.000 0.413 334 R N 0.988 121.380 120.500 -0.179 0.000 2.120 334 R HA -0.194 4.146 4.340 -0.001 0.000 0.234 334 R C 1.499 177.818 176.300 0.031 0.000 1.123 334 R CA 1.775 57.847 56.100 -0.045 0.000 0.975 334 R CB -0.335 29.982 30.300 0.028 0.000 0.866 334 R HN 0.362 nan 8.270 nan 0.000 0.446 335 D N -0.105 120.297 120.400 0.004 0.000 2.123 335 D HA -0.088 4.551 4.640 -0.001 0.000 0.200 335 D C 1.948 178.263 176.300 0.025 0.000 0.976 335 D CA 1.025 55.037 54.000 0.019 0.000 0.831 335 D CB 0.045 40.849 40.800 0.006 0.000 0.974 335 D HN 0.092 nan 8.370 nan 0.000 0.469 336 V N 0.733 120.652 119.914 0.009 0.000 2.407 336 V HA -0.087 4.032 4.120 -0.001 0.000 0.245 336 V C 2.023 178.148 176.094 0.052 0.000 1.041 336 V CA 0.999 63.309 62.300 0.018 0.000 1.040 336 V CB -0.170 31.651 31.823 -0.003 0.000 0.671 336 V HN 0.149 nan 8.190 nan 0.000 0.455 337 L N -0.398 120.874 121.223 0.081 0.000 2.791 337 L HA 0.237 4.576 4.340 -0.001 0.000 0.239 337 L C 2.137 179.184 176.870 0.295 0.000 1.203 337 L CA 0.173 55.132 54.840 0.198 0.000 1.002 337 L CB -0.001 42.229 42.059 0.284 0.000 1.295 337 L HN 0.203 nan 8.230 nan 0.000 0.504 338 S N 0.812 116.627 115.700 0.192 0.000 2.365 338 S HA -0.219 4.251 4.470 -0.001 0.000 0.225 338 S C 2.258 176.926 174.600 0.113 0.000 1.039 338 S CA 2.220 60.522 58.200 0.169 0.000 1.033 338 S CB -0.015 63.246 63.200 0.101 0.000 0.887 338 S HN 0.686 nan 8.310 nan 0.000 0.447 339 S N 1.937 117.688 115.700 0.084 0.000 2.361 339 S HA -0.057 4.412 4.470 -0.001 0.000 0.214 339 S C 0.919 175.542 174.600 0.039 0.000 1.034 339 S CA 0.456 58.687 58.200 0.051 0.000 1.025 339 S CB -1.338 61.888 63.200 0.043 0.000 0.996 339 S HN 0.478 nan 8.310 nan 0.000 0.422 340 L N 4.847 126.102 121.223 0.053 0.000 2.884 340 L HA 0.006 4.345 4.340 -0.001 0.000 0.294 340 L C -1.967 174.891 176.870 -0.020 0.000 1.164 340 L CA -0.563 54.297 54.840 0.034 0.000 0.918 340 L CB -0.409 41.695 42.059 0.076 0.000 1.281 340 L HN 0.279 nan 8.230 nan 0.000 0.478 341 P HA 0.070 nan 4.420 nan 0.000 0.232 341 P C -0.716 176.526 177.300 -0.095 0.000 1.738 341 P CA 0.138 63.200 63.100 -0.064 0.000 0.948 341 P CB 0.023 31.701 31.700 -0.036 0.000 1.943 342 V N 0.741 120.558 119.914 -0.163 0.000 3.001 342 V HA 0.323 4.443 4.120 -0.001 0.000 0.314 342 V C 0.161 176.023 176.094 -0.388 0.000 1.099 342 V CA -0.873 61.316 62.300 -0.185 0.000 0.989 342 V CB 2.660 34.432 31.823 -0.085 0.000 1.040 342 V HN 0.172 nan 8.190 nan 0.000 0.434 343 Q N 1.747 121.388 119.800 -0.265 0.000 2.274 343 Q HA 0.474 4.813 4.340 -0.001 0.000 0.256 343 Q C -1.503 174.392 176.000 -0.175 0.000 0.927 343 Q CA -0.449 55.184 55.803 -0.284 0.000 0.939 343 Q CB 0.896 29.563 28.738 -0.119 0.000 1.201 343 Q HN 0.546 nan 8.270 nan 0.000 0.426 344 F N 2.285 122.245 119.950 0.017 0.000 2.380 344 F HA 0.317 4.844 4.527 -0.001 0.000 0.325 344 F C 0.595 176.406 175.800 0.019 0.000 1.136 344 F CA -0.785 57.227 58.000 0.019 0.000 1.171 344 F CB 0.567 39.581 39.000 0.023 0.000 1.230 344 F HN 0.499 nan 8.300 nan 0.000 0.554 345 R N 0.771 121.415 120.500 0.239 0.000 2.254 345 R HA 0.269 4.608 4.340 -0.001 0.000 0.318 345 R C -0.795 175.579 176.300 0.123 0.000 1.031 345 R CA -0.668 55.512 56.100 0.133 0.000 0.905 345 R CB 0.708 31.065 30.300 0.094 0.000 1.050 345 R HN 0.480 nan 8.270 nan 0.000 0.456 346 D N 2.881 123.341 120.400 0.100 0.000 2.435 346 D HA -0.011 4.628 4.640 -0.001 0.000 0.230 346 D C -0.946 175.398 176.300 0.074 0.000 1.215 346 D CA -0.038 54.016 54.000 0.091 0.000 0.947 346 D CB 0.520 41.367 40.800 0.077 0.000 1.048 346 D HN 0.531 nan 8.370 nan 0.000 0.512 347 D N 2.899 123.339 120.400 0.068 0.000 2.411 347 D HA 0.067 4.706 4.640 -0.001 0.000 0.225 347 D C 1.317 177.658 176.300 0.069 0.000 1.156 347 D CA -0.424 53.612 54.000 0.059 0.000 0.874 347 D CB 0.613 41.440 40.800 0.045 0.000 1.034 347 D HN 0.115 nan 8.370 nan 0.000 0.502 348 R N 3.064 123.607 120.500 0.072 0.000 2.105 348 R HA -0.068 4.271 4.340 -0.001 0.000 0.239 348 R C 1.692 178.042 176.300 0.083 0.000 1.135 348 R CA 0.640 56.788 56.100 0.079 0.000 0.967 348 R CB -0.417 29.920 30.300 0.062 0.000 0.861 348 R HN 0.583 nan 8.270 nan 0.000 0.442 349 L N 0.490 121.763 121.223 0.083 0.000 2.450 349 L HA -0.093 4.247 4.340 -0.001 0.000 0.224 349 L C 2.291 179.219 176.870 0.096 0.000 1.149 349 L CA 0.380 55.283 54.840 0.106 0.000 0.816 349 L CB -0.345 41.769 42.059 0.091 0.000 0.932 349 L HN -0.017 nan 8.230 nan 0.000 0.449 350 V N 0.030 119.992 119.914 0.079 0.000 2.970 350 V HA -0.172 3.947 4.120 -0.001 0.000 0.260 350 V C 2.362 178.507 176.094 0.085 0.000 1.100 350 V CA 2.019 64.362 62.300 0.071 0.000 1.122 350 V CB -0.238 31.619 31.823 0.057 0.000 0.721 350 V HN 0.692 nan 8.190 nan 0.000 0.483 351 T N -2.224 112.384 114.554 0.091 0.000 3.129 351 T HA 0.052 4.402 4.350 -0.001 0.000 0.251 351 T C 0.880 175.579 174.700 -0.001 0.000 1.117 351 T CA 0.559 62.694 62.100 0.058 0.000 1.034 351 T CB -0.636 68.287 68.868 0.093 0.000 0.968 351 T HN 0.632 nan 8.240 nan 0.000 0.526 352 T N -0.339 114.243 114.554 0.047 0.000 2.788 352 T HA 0.550 4.899 4.350 -0.001 0.000 0.280 352 T C -0.113 174.662 174.700 0.125 0.000 0.984 352 T CA -0.894 61.230 62.100 0.039 0.000 0.972 352 T CB 0.199 69.130 68.868 0.107 0.000 1.039 352 T HN 0.008 nan 8.240 nan 0.000 0.530 353 F N 2.731 122.529 119.950 -0.253 0.000 2.518 353 F HA 0.334 4.860 4.527 -0.001 0.000 0.359 353 F C -1.364 174.238 175.800 -0.330 0.000 1.118 353 F CA -2.405 55.310 58.000 -0.476 0.000 1.287 353 F CB -0.351 37.996 39.000 -1.088 0.000 1.132 353 F HN 0.435 nan 8.300 nan 0.000 0.587 354 P HA 0.010 nan 4.420 nan 0.000 0.272 354 P C 0.182 177.397 177.300 -0.141 0.000 1.240 354 P CA -0.149 62.857 63.100 -0.156 0.000 0.791 354 P CB 0.927 32.521 31.700 -0.176 0.000 0.978 355 D N 0.518 120.885 120.400 -0.056 0.000 2.263 355 D HA -0.122 4.518 4.640 -0.001 0.000 0.208 355 D C 1.215 177.475 176.300 -0.067 0.000 0.971 355 D CA 1.121 55.106 54.000 -0.024 0.000 0.867 355 D CB -0.261 40.532 40.800 -0.012 0.000 0.929 355 D HN 0.505 nan 8.370 nan 0.000 0.492 356 N N 0.533 119.159 118.700 -0.123 0.000 2.383 356 N HA -0.043 4.696 4.740 -0.001 0.000 0.192 356 N C 0.207 175.602 175.510 -0.191 0.000 1.141 356 N CA -0.022 52.952 53.050 -0.126 0.000 0.851 356 N CB 0.007 38.437 38.487 -0.096 0.000 0.976 356 N HN -0.100 nan 8.380 nan 0.000 0.465 357 V N 1.480 121.221 119.914 -0.289 0.000 2.686 357 V HA 0.282 4.401 4.120 -0.001 0.000 0.295 357 V C 0.572 176.504 176.094 -0.270 0.000 1.055 357 V CA -0.738 61.328 62.300 -0.390 0.000 1.050 357 V CB 1.247 32.668 31.823 -0.669 0.000 0.984 357 V HN 0.245 nan 8.190 nan 0.000 0.482 358 V N 2.185 121.898 119.914 -0.335 0.000 3.001 358 V HA 0.747 4.867 4.120 -0.001 0.000 0.314 358 V C -0.763 175.012 176.094 -0.531 0.000 1.099 358 V CA -0.671 61.415 62.300 -0.357 0.000 0.989 358 V CB 2.332 33.987 31.823 -0.281 0.000 1.040 358 V HN 0.866 nan 8.190 nan 0.000 0.434 359 H N 0.642 119.612 119.070 -0.166 0.000 2.907 359 H HA 0.550 5.105 4.556 -0.001 0.000 0.361 359 H C -1.845 173.283 175.328 -0.333 0.000 1.194 359 H CA -0.461 55.539 56.048 -0.080 0.000 1.152 359 H CB 2.226 31.951 29.762 -0.062 0.000 1.867 359 H HN 0.775 nan 8.280 nan 0.000 0.561 360 Y N 1.265 121.671 120.300 0.178 0.000 2.464 360 Y HA 0.199 4.748 4.550 -0.001 0.000 0.326 360 Y C -0.336 175.627 175.900 0.105 0.000 0.969 360 Y CA -0.657 57.501 58.100 0.096 0.000 1.270 360 Y CB 0.981 39.484 38.460 0.072 0.000 1.103 360 Y HN 0.209 nan 8.280 nan 0.000 0.491 361 L N 4.775 126.093 121.223 0.159 0.000 2.265 361 L HA 0.511 4.850 4.340 -0.001 0.000 0.289 361 L C 0.482 177.513 176.870 0.268 0.000 1.033 361 L CA -0.517 54.423 54.840 0.166 0.000 0.814 361 L CB 0.406 42.530 42.059 0.109 0.000 1.203 361 L HN 0.678 nan 8.230 nan 0.000 0.423 362 R N 4.398 125.005 120.500 0.179 0.000 3.405 362 R HA -0.240 4.099 4.340 -0.001 0.000 0.258 362 R C 1.064 177.496 176.300 0.220 0.000 1.030 362 R CA 0.655 56.861 56.100 0.178 0.000 0.691 362 R CB -2.102 28.285 30.300 0.145 0.000 1.093 362 R HN 1.249 nan 8.270 nan 0.000 0.448 363 G N -0.303 108.615 108.800 0.197 0.000 2.245 363 G HA2 -0.417 3.542 3.960 -0.001 0.000 0.264 363 G HA3 -0.417 3.542 3.960 -0.001 0.000 0.264 363 G C 0.139 175.159 174.900 0.201 0.000 0.985 363 G CA 0.844 46.052 45.100 0.181 0.000 0.625 363 G HN 0.459 nan 8.290 nan 0.000 0.536 364 K N 0.609 121.111 120.400 0.171 0.000 2.172 364 K HA 0.567 4.886 4.320 -0.001 0.000 0.276 364 K C 0.384 176.944 176.600 -0.066 0.000 1.013 364 K CA -0.914 55.372 56.287 -0.002 0.000 0.913 364 K CB 0.612 32.945 32.500 -0.279 0.000 1.055 364 K HN 0.208 nan 8.250 nan 0.000 0.461 365 R N 3.094 123.489 120.500 -0.175 0.000 2.298 365 R HA 0.201 4.540 4.340 -0.001 0.000 0.310 365 R C -0.732 175.383 176.300 -0.309 0.000 1.068 365 R CA -0.415 55.435 56.100 -0.415 0.000 0.957 365 R CB 0.542 30.607 30.300 -0.391 0.000 1.003 365 R HN 0.469 nan 8.270 nan 0.000 0.454 366 V N 0.312 120.050 119.914 -0.294 0.000 3.007 366 V HA 0.533 4.653 4.120 -0.001 0.000 0.311 366 V C -0.724 175.275 176.094 -0.158 0.000 1.120 366 V CA -1.315 60.865 62.300 -0.199 0.000 0.980 366 V CB 2.039 33.771 31.823 -0.150 0.000 1.033 366 V HN 0.674 nan 8.190 nan 0.000 0.429 367 K N 0.919 121.254 120.400 -0.108 0.000 2.326 367 K HA 0.204 4.523 4.320 -0.001 0.000 0.275 367 K C 0.929 177.540 176.600 0.018 0.000 1.018 367 K CA -0.051 56.202 56.287 -0.057 0.000 0.962 367 K CB 0.698 33.172 32.500 -0.043 0.000 0.953 367 K HN 0.973 nan 8.250 nan 0.000 0.475 368 H N 3.008 122.074 119.070 -0.007 0.000 2.352 368 H HA -0.177 4.378 4.556 -0.001 0.000 0.299 368 H C 1.511 176.892 175.328 0.089 0.000 1.097 368 H CA 2.497 58.621 56.048 0.126 0.000 1.311 368 H CB 0.299 30.128 29.762 0.111 0.000 1.377 368 H HN 0.769 nan 8.280 nan 0.000 0.504 369 E N -0.063 120.165 120.200 0.048 0.000 2.333 369 E HA -0.167 4.182 4.350 -0.001 0.000 0.198 369 E C 1.436 178.053 176.600 0.028 0.000 1.007 369 E CA 0.959 57.407 56.400 0.080 0.000 0.845 369 E CB 0.023 29.796 29.700 0.121 0.000 0.766 369 E HN 0.366 nan 8.360 nan 0.000 0.507 370 K N 0.904 121.283 120.400 -0.034 0.000 2.262 370 K HA 0.023 4.342 4.320 -0.001 0.000 0.200 370 K C 1.964 178.522 176.600 -0.070 0.000 1.049 370 K CA 1.160 57.429 56.287 -0.030 0.000 0.979 370 K CB 0.888 33.371 32.500 -0.029 0.000 0.773 370 K HN 0.322 nan 8.250 nan 0.000 0.474 371 V N -2.547 117.265 119.914 -0.169 0.000 3.330 371 V HA 0.265 4.385 4.120 -0.001 0.000 0.309 371 V C 1.918 177.916 176.094 -0.160 0.000 1.481 371 V CA -0.259 61.920 62.300 -0.200 0.000 1.068 371 V CB 0.217 31.773 31.823 -0.445 0.000 0.935 371 V HN -0.001 nan 8.190 nan 0.000 0.453 372 R N 2.003 122.287 120.500 -0.360 0.000 2.162 372 R HA -0.266 4.073 4.340 -0.001 0.000 0.245 372 R C 1.989 178.159 176.300 -0.217 0.000 1.129 372 R CA 2.859 58.638 56.100 -0.535 0.000 0.940 372 R CB -0.424 29.397 30.300 -0.799 0.000 0.875 372 R HN 0.633 nan 8.270 nan 0.000 0.437 373 N N 0.119 118.699 118.700 -0.201 0.000 2.348 373 N HA -0.156 4.584 4.740 -0.001 0.000 0.185 373 N C 1.266 176.731 175.510 -0.076 0.000 1.019 373 N CA 1.367 54.355 53.050 -0.103 0.000 0.880 373 N CB -0.240 38.260 38.487 0.022 0.000 0.965 373 N HN 0.420 nan 8.380 nan 0.000 0.437 374 A N -0.496 122.242 122.820 -0.136 0.000 2.218 374 A HA -0.016 4.304 4.320 -0.001 0.000 0.209 374 A C 1.841 179.446 177.584 0.035 0.000 1.168 374 A CA -0.132 51.869 52.037 -0.060 0.000 0.804 374 A CB -0.489 18.516 19.000 0.008 0.000 0.834 374 A HN 0.293 nan 8.150 nan 0.000 0.482 375 Y N 2.080 122.325 120.300 -0.093 0.000 2.081 375 Y HA -0.193 4.356 4.550 -0.001 0.000 0.280 375 Y C -0.412 175.347 175.900 -0.235 0.000 1.163 375 Y CA 2.911 60.844 58.100 -0.278 0.000 1.135 375 Y CB -0.687 37.686 38.460 -0.144 0.000 0.970 375 Y HN 0.317 nan 8.280 nan 0.000 0.498 376 P HA -0.196 nan 4.420 nan 0.000 0.218 376 P C 1.832 179.018 177.300 -0.190 0.000 1.149 376 P CA 1.401 64.431 63.100 -0.117 0.000 0.817 376 P CB -0.209 31.481 31.700 -0.017 0.000 0.785 377 L N -0.554 120.591 121.223 -0.131 0.000 2.012 377 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 377 L C 2.544 179.212 176.870 -0.337 0.000 1.073 377 L CA 1.943 56.692 54.840 -0.151 0.000 0.748 377 L CB -1.721 40.268 42.059 -0.116 0.000 0.891 377 L HN -0.182 nan 8.230 nan 0.000 0.431 378 Y N 0.078 120.161 120.300 -0.362 0.000 2.293 378 Y HA -0.164 4.385 4.550 -0.001 0.000 0.291 378 Y C 2.711 178.224 175.900 -0.645 0.000 1.137 378 Y CA 1.627 59.457 58.100 -0.451 0.000 1.202 378 Y CB -0.366 37.765 38.460 -0.548 0.000 0.990 378 Y HN 0.424 nan 8.280 nan 0.000 0.537 379 E N 0.158 119.860 120.200 -0.830 0.000 2.072 379 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 379 E C 2.320 178.510 176.600 -0.684 0.000 0.985 379 E CA 0.967 56.514 56.400 -1.422 0.000 0.801 379 E CB -0.137 28.633 29.700 -1.550 0.000 0.750 379 E HN 0.392 nan 8.360 nan 0.000 0.452 380 A N 1.408 123.976 122.820 -0.420 0.000 1.933 380 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 380 A C 2.214 179.545 177.584 -0.421 0.000 1.175 380 A CA 1.508 53.406 52.037 -0.231 0.000 0.628 380 A CB -0.584 18.373 19.000 -0.072 0.000 0.814 380 A HN 0.460 nan 8.150 nan 0.000 0.444 381 M N -0.314 118.857 119.600 -0.715 0.000 2.086 381 M HA -0.149 4.330 4.480 -0.001 0.000 0.261 381 M C 2.265 178.327 176.300 -0.396 0.000 1.067 381 M CA 1.821 56.471 55.300 -1.083 0.000 1.116 381 M CB -0.250 31.921 32.600 -0.716 0.000 1.348 381 M HN 0.412 nan 8.290 nan 0.000 0.407 382 A N -0.482 122.227 122.820 -0.186 0.000 1.930 382 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 382 A C 2.019 179.750 177.584 0.245 0.000 1.175 382 A CA 2.139 54.227 52.037 0.085 0.000 0.627 382 A CB -1.144 17.955 19.000 0.165 0.000 0.815 382 A HN 0.596 nan 8.150 nan 0.000 0.443 383 T N -1.027 113.668 114.554 0.236 0.000 2.777 383 T HA -0.081 4.268 4.350 -0.001 0.000 0.266 383 T C 1.600 176.505 174.700 0.341 0.000 1.040 383 T CA 1.363 63.678 62.100 0.358 0.000 1.141 383 T CB -0.367 68.723 68.868 0.371 0.000 0.868 383 T HN 0.438 nan 8.240 nan 0.000 0.444 384 F N 2.120 122.085 119.950 0.025 0.000 2.102 384 F HA -0.044 4.483 4.527 -0.001 0.000 0.298 384 F C 2.352 178.222 175.800 0.116 0.000 1.105 384 F CA 1.395 59.402 58.000 0.012 0.000 1.239 384 F CB -0.137 38.769 39.000 -0.157 0.000 0.991 384 F HN -0.044 nan 8.300 nan 0.000 0.474 385 K N -0.060 120.474 120.400 0.224 0.000 2.152 385 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 385 K C 2.269 178.910 176.600 0.068 0.000 1.048 385 K CA 1.297 57.668 56.287 0.141 0.000 0.933 385 K CB -0.720 31.852 32.500 0.121 0.000 0.721 385 K HN 0.409 nan 8.250 nan 0.000 0.447 386 G N 0.261 109.114 108.800 0.088 0.000 2.422 386 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 386 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 386 G C 1.163 176.001 174.900 -0.103 0.000 1.146 386 G CA 0.551 45.631 45.100 -0.034 0.000 0.769 386 G HN 0.243 nan 8.290 nan 0.000 0.547 387 F N 0.940 120.799 119.950 -0.151 0.000 2.146 387 F HA 0.069 4.595 4.527 -0.001 0.000 0.298 387 F C 2.852 178.535 175.800 -0.194 0.000 1.096 387 F CA 0.979 58.872 58.000 -0.179 0.000 1.275 387 F CB -0.069 38.760 39.000 -0.286 0.000 1.008 387 F HN -0.084 nan 8.300 nan 0.000 0.480 388 R N -0.068 120.412 120.500 -0.034 0.000 2.091 388 R HA -0.111 4.229 4.340 -0.001 0.000 0.238 388 R C 2.109 178.281 176.300 -0.213 0.000 1.136 388 R CA 1.756 57.809 56.100 -0.079 0.000 0.959 388 R CB -1.782 28.509 30.300 -0.016 0.000 0.856 388 R HN 0.220 nan 8.270 nan 0.000 0.437 389 T N 0.853 115.296 114.554 -0.186 0.000 2.833 389 T HA -0.061 4.288 4.350 -0.001 0.000 0.269 389 T C 1.643 176.136 174.700 -0.344 0.000 1.054 389 T CA 1.499 63.444 62.100 -0.258 0.000 1.135 389 T CB -0.087 68.692 68.868 -0.148 0.000 0.869 389 T HN 0.198 nan 8.240 nan 0.000 0.466 390 S N 0.038 115.595 115.700 -0.239 0.000 2.593 390 S HA 0.030 4.499 4.470 -0.001 0.000 0.217 390 S C 0.040 174.617 174.600 -0.040 0.000 0.966 390 S CA -0.284 57.828 58.200 -0.147 0.000 0.914 390 S CB -0.216 62.893 63.200 -0.152 0.000 0.776 390 S HN 0.507 nan 8.310 nan 0.000 0.523 391 H N 0.497 119.575 119.070 0.013 0.000 2.713 391 H HA -0.132 4.423 4.556 -0.001 0.000 0.311 391 H C 0.282 175.642 175.328 0.054 0.000 1.175 391 H CA 0.609 56.677 56.048 0.034 0.000 1.143 391 H CB -1.140 28.637 29.762 0.025 0.000 1.434 391 H HN 0.231 nan 8.280 nan 0.000 0.418 392 R N 1.603 122.180 120.500 0.130 0.000 2.198 392 R HA 0.214 4.553 4.340 -0.001 0.000 0.339 392 R C 1.068 177.482 176.300 0.191 0.000 1.020 392 R CA -0.382 55.825 56.100 0.179 0.000 0.864 392 R CB 0.351 30.790 30.300 0.231 0.000 1.105 392 R HN 0.169 nan 8.270 nan 0.000 0.463 393 N N 2.339 121.146 118.700 0.179 0.000 2.300 393 N HA -0.070 4.669 4.740 -0.001 0.000 0.179 393 N C -0.592 175.026 175.510 0.181 0.000 1.016 393 N CA 0.846 53.994 53.050 0.163 0.000 0.876 393 N CB 0.350 38.928 38.487 0.152 0.000 0.979 393 N HN 0.606 nan 8.380 nan 0.000 0.432 394 E N 1.287 121.627 120.200 0.233 0.000 2.001 394 E HA 0.274 4.624 4.350 -0.001 0.000 0.279 394 E C -0.300 176.457 176.600 0.261 0.000 1.045 394 E CA -0.071 56.481 56.400 0.253 0.000 0.833 394 E CB 1.024 30.959 29.700 0.391 0.000 1.077 394 E HN 0.184 nan 8.360 nan 0.000 0.397 395 I N 3.278 123.909 120.570 0.102 0.000 2.359 395 I HA 0.347 4.516 4.170 -0.001 0.000 0.294 395 I C -0.598 175.489 176.117 -0.051 0.000 0.987 395 I CA -0.823 60.334 61.300 -0.237 0.000 1.225 395 I CB 0.774 38.454 38.000 -0.534 0.000 1.366 395 I HN 0.401 nan 8.210 nan 0.000 0.466 396 F N 8.133 127.878 119.950 -0.341 0.000 2.579 396 F HA 0.639 5.166 4.527 -0.001 0.000 0.325 396 F C -1.257 174.481 175.800 -0.104 0.000 1.162 396 F CA -0.487 57.422 58.000 -0.152 0.000 0.946 396 F CB 0.960 39.898 39.000 -0.104 0.000 1.211 396 F HN 0.182 nan 8.300 nan 0.000 0.447 397 I N 7.184 127.262 120.570 -0.821 0.000 2.499 397 I HA 0.376 4.546 4.170 -0.001 0.000 0.288 397 I C -1.459 174.327 176.117 -0.551 0.000 1.048 397 I CA -0.763 60.251 61.300 -0.476 0.000 1.062 397 I CB 2.156 40.029 38.000 -0.212 0.000 1.238 397 I HN 0.489 nan 8.210 nan 0.000 0.426 398 L N 4.992 126.024 121.223 -0.319 0.000 2.322 398 L HA 0.629 4.968 4.340 -0.001 0.000 0.281 398 L C -0.526 176.488 176.870 0.241 0.000 1.014 398 L CA -0.092 54.675 54.840 -0.120 0.000 0.815 398 L CB 1.942 43.919 42.059 -0.137 0.000 1.247 398 L HN 0.642 nan 8.230 nan 0.000 0.421 399 S N 3.502 119.377 115.700 0.293 0.000 2.548 399 S HA 0.446 4.915 4.470 -0.001 0.000 0.286 399 S C 0.428 175.228 174.600 0.333 0.000 1.098 399 S CA -0.652 57.737 58.200 0.314 0.000 0.930 399 S CB 2.275 65.559 63.200 0.141 0.000 1.070 399 S HN 0.846 nan 8.310 nan 0.000 0.480 400 R N 2.076 122.696 120.500 0.199 0.000 2.090 400 R HA 0.388 4.727 4.340 -0.001 0.000 0.219 400 R C 0.813 176.963 176.300 -0.250 0.000 1.100 400 R CA 1.053 56.949 56.100 -0.340 0.000 0.991 400 R CB -0.241 29.757 30.300 -0.502 0.000 0.893 400 R HN 0.699 nan 8.270 nan 0.000 0.443 401 A N -0.448 122.323 122.820 -0.082 0.000 2.261 401 A HA 0.727 5.046 4.320 -0.001 0.000 0.323 401 A C -0.252 177.342 177.584 0.016 0.000 1.107 401 A CA -0.086 51.943 52.037 -0.014 0.000 0.883 401 A CB 1.392 20.386 19.000 -0.010 0.000 1.251 401 A HN 0.448 nan 8.150 nan 0.000 0.502 402 G N -2.149 106.682 108.800 0.052 0.000 2.495 402 G HA2 0.532 4.491 3.960 -0.001 0.000 0.294 402 G HA3 0.532 4.491 3.960 -0.001 0.000 0.294 402 G C -1.908 173.101 174.900 0.181 0.000 1.397 402 G CA -0.157 44.992 45.100 0.082 0.000 0.790 402 G HN 1.490 nan 8.290 nan 0.000 0.486 403 Y N -0.290 120.031 120.300 0.035 0.000 2.670 403 Y HA 0.683 5.232 4.550 -0.001 0.000 0.334 403 Y C 0.177 176.135 175.900 0.097 0.000 1.185 403 Y CA -0.341 57.814 58.100 0.092 0.000 1.053 403 Y CB 1.333 39.860 38.460 0.112 0.000 1.298 403 Y HN 1.348 nan 8.280 nan 0.000 0.459 404 A N 1.529 123.897 122.820 -0.753 0.000 2.584 404 A HA 0.391 4.710 4.320 -0.001 0.000 0.239 404 A C 1.294 178.783 177.584 -0.160 0.000 1.043 404 A CA 1.514 53.285 52.037 -0.443 0.000 0.756 404 A CB -1.392 17.311 19.000 -0.496 0.000 0.963 404 A HN 2.067 nan 8.150 nan 0.000 0.511 405 G N 1.653 110.326 108.800 -0.212 0.000 2.213 405 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.226 405 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.226 405 G C 0.884 175.670 174.900 -0.189 0.000 0.992 405 G CA 0.607 45.598 45.100 -0.181 0.000 0.632 405 G HN 1.366 nan 8.290 nan 0.000 0.511 406 I N 2.011 122.522 120.570 -0.099 0.000 2.423 406 I HA -0.147 4.022 4.170 -0.001 0.000 0.254 406 I C 2.819 178.853 176.117 -0.138 0.000 1.151 406 I CA 2.538 63.804 61.300 -0.057 0.000 1.421 406 I CB -0.121 37.880 38.000 0.002 0.000 1.079 406 I HN 0.532 nan 8.210 nan 0.000 0.431 407 Q N 0.709 120.392 119.800 -0.196 0.000 2.368 407 Q HA -0.238 4.102 4.340 -0.001 0.000 0.210 407 Q C 2.006 177.871 176.000 -0.224 0.000 0.982 407 Q CA 1.428 57.110 55.803 -0.202 0.000 0.884 407 Q CB -0.821 27.753 28.738 -0.273 0.000 0.933 407 Q HN 0.516 nan 8.270 nan 0.000 0.460 408 R N -0.477 119.719 120.500 -0.507 0.000 2.120 408 R HA -0.098 4.241 4.340 -0.001 0.000 0.234 408 R C 0.896 176.621 176.300 -0.957 0.000 1.123 408 R CA 1.774 57.372 56.100 -0.836 0.000 0.975 408 R CB -0.080 29.301 30.300 -1.532 0.000 0.866 408 R HN 0.411 nan 8.270 nan 0.000 0.446 409 Y N -2.196 117.881 120.300 -0.371 0.000 2.432 409 Y HA 0.520 5.069 4.550 -0.001 0.000 0.252 409 Y C 0.367 175.998 175.900 -0.448 0.000 1.097 409 Y CA -0.389 57.349 58.100 -0.604 0.000 1.250 409 Y CB 0.805 38.998 38.460 -0.445 0.000 1.245 409 Y HN -0.042 nan 8.280 nan 0.000 0.522 410 A N -0.680 122.174 122.820 0.058 0.000 2.609 410 A HA 0.651 4.970 4.320 -0.001 0.000 0.291 410 A C -1.607 176.199 177.584 0.371 0.000 1.096 410 A CA -0.630 51.524 52.037 0.194 0.000 0.684 410 A CB 0.636 19.686 19.000 0.083 0.000 1.282 410 A HN -0.043 nan 8.150 nan 0.000 0.412 411 F N -0.021 119.959 119.950 0.051 0.000 2.378 411 F HA 0.687 5.213 4.527 -0.001 0.000 0.319 411 F C 0.499 176.282 175.800 -0.029 0.000 1.155 411 F CA -0.295 57.708 58.000 0.005 0.000 1.157 411 F CB 1.073 39.903 39.000 -0.283 0.000 1.252 411 F HN 0.315 nan 8.300 nan 0.000 0.550 412 I N 1.138 121.813 120.570 0.175 0.000 2.569 412 I HA 0.229 4.399 4.170 -0.001 0.000 0.290 412 I C -1.411 174.847 176.117 0.236 0.000 1.088 412 I CA -0.692 60.705 61.300 0.160 0.000 1.047 412 I CB 1.907 39.938 38.000 0.052 0.000 1.237 412 I HN 0.720 nan 8.210 nan 0.000 0.421 413 W N 4.772 126.075 121.300 0.004 0.000 2.647 413 W HA 0.521 5.180 4.660 -0.001 0.000 0.353 413 W C 0.678 177.240 176.519 0.072 0.000 1.080 413 W CA -0.736 56.668 57.345 0.099 0.000 1.208 413 W CB 0.940 30.494 29.460 0.158 0.000 1.396 413 W HN 0.566 nan 8.180 nan 0.000 0.573 414 T N 1.107 115.624 114.554 -0.062 0.000 3.400 414 T HA 0.375 4.725 4.350 -0.001 0.000 0.254 414 T C 0.957 175.513 174.700 -0.241 0.000 1.153 414 T CA 0.463 62.482 62.100 -0.135 0.000 1.012 414 T CB -1.224 67.726 68.868 0.137 0.000 0.994 414 T HN 1.724 nan 8.240 nan 0.000 0.555 415 G N 1.921 110.074 108.800 -1.077 0.000 2.562 415 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.250 415 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.250 415 G C -0.730 174.278 174.900 0.180 0.000 1.269 415 G CA -0.237 44.451 45.100 -0.687 0.000 0.919 415 G HN 0.464 nan 8.290 nan 0.000 0.574 416 D N 2.580 123.149 120.400 0.281 0.000 2.688 416 D HA 0.218 4.858 4.640 -0.001 0.000 0.228 416 D C 1.141 177.585 176.300 0.239 0.000 1.116 416 D CA 0.141 54.286 54.000 0.242 0.000 1.023 416 D CB -0.711 40.189 40.800 0.167 0.000 1.100 416 D HN 0.631 nan 8.370 nan 0.000 0.487 417 N N -0.320 118.509 118.700 0.216 0.000 2.444 417 N HA 0.028 4.768 4.740 -0.001 0.000 0.255 417 N C -0.288 175.257 175.510 0.058 0.000 1.255 417 N CA -0.072 52.948 53.050 -0.050 0.000 0.933 417 N CB 0.569 39.163 38.487 0.179 0.000 1.143 417 N HN -0.197 nan 8.380 nan 0.000 0.453 418 T N 2.001 116.550 114.554 -0.008 0.000 2.771 418 T HA 0.348 4.697 4.350 -0.001 0.000 0.281 418 T C -2.458 172.286 174.700 0.073 0.000 0.982 418 T CA -1.130 61.013 62.100 0.072 0.000 0.978 418 T CB 1.396 70.354 68.868 0.150 0.000 0.930 418 T HN 0.494 nan 8.240 nan 0.000 0.447 419 P HA 0.233 nan 4.420 nan 0.000 0.271 419 P C -0.635 176.708 177.300 0.072 0.000 1.226 419 P CA -0.057 63.079 63.100 0.059 0.000 0.765 419 P CB 0.523 32.169 31.700 -0.089 0.000 0.835 420 S N 1.962 117.723 115.700 0.102 0.000 2.611 420 S HA 0.211 4.680 4.470 -0.001 0.000 0.270 420 S C 0.032 174.600 174.600 -0.054 0.000 1.131 420 S CA -0.823 57.398 58.200 0.035 0.000 0.826 420 S CB -0.092 63.169 63.200 0.103 0.000 1.095 420 S HN 0.301 nan 8.310 nan 0.000 0.461 421 W N 1.112 122.431 121.300 0.031 0.000 2.363 421 W HA 0.034 4.693 4.660 -0.001 0.000 0.296 421 W C 1.618 178.126 176.519 -0.017 0.000 1.212 421 W CA 1.561 58.898 57.345 -0.014 0.000 1.260 421 W CB -0.322 29.136 29.460 -0.003 0.000 1.131 421 W HN 0.748 nan 8.180 nan 0.000 0.530 422 D N -0.382 120.138 120.400 0.202 0.000 2.178 422 D HA -0.188 4.451 4.640 -0.001 0.000 0.201 422 D C 1.455 177.800 176.300 0.076 0.000 0.980 422 D CA 1.631 55.702 54.000 0.119 0.000 0.842 422 D CB -0.618 40.234 40.800 0.087 0.000 0.948 422 D HN 0.186 nan 8.370 nan 0.000 0.472 423 D N 0.065 120.509 120.400 0.074 0.000 2.218 423 D HA -0.088 4.551 4.640 -0.001 0.000 0.204 423 D C 2.187 178.523 176.300 0.060 0.000 0.976 423 D CA 0.444 54.503 54.000 0.099 0.000 0.853 423 D CB -0.046 40.862 40.800 0.180 0.000 0.939 423 D HN 0.133 nan 8.370 nan 0.000 0.481 424 L N 0.017 121.197 121.223 -0.072 0.000 2.012 424 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 424 L C 2.501 179.397 176.870 0.043 0.000 1.073 424 L CA 1.300 56.067 54.840 -0.121 0.000 0.748 424 L CB -0.419 41.532 42.059 -0.180 0.000 0.891 424 L HN 0.046 nan 8.230 nan 0.000 0.431 425 K N -0.160 120.278 120.400 0.064 0.000 2.057 425 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 425 K C 2.141 178.796 176.600 0.092 0.000 1.050 425 K CA 0.925 57.263 56.287 0.086 0.000 0.935 425 K CB -0.155 32.389 32.500 0.073 0.000 0.715 425 K HN 0.244 nan 8.250 nan 0.000 0.439 426 L N 1.298 122.571 121.223 0.083 0.000 2.012 426 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 426 L C 2.347 179.301 176.870 0.140 0.000 1.073 426 L CA 1.506 56.402 54.840 0.093 0.000 0.748 426 L CB -0.239 41.885 42.059 0.107 0.000 0.891 426 L HN 0.307 nan 8.230 nan 0.000 0.431 427 Q N -0.562 119.348 119.800 0.183 0.000 2.135 427 Q HA -0.225 4.115 4.340 -0.001 0.000 0.204 427 Q C 2.123 178.212 176.000 0.148 0.000 0.981 427 Q CA 1.231 57.163 55.803 0.216 0.000 0.856 427 Q CB -0.551 28.377 28.738 0.317 0.000 0.902 427 Q HN 0.359 nan 8.270 nan 0.000 0.425 428 L N 1.155 122.478 121.223 0.167 0.000 2.017 428 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 428 L C 2.244 179.138 176.870 0.041 0.000 1.073 428 L CA 1.795 56.711 54.840 0.127 0.000 0.745 428 L CB -0.732 41.436 42.059 0.182 0.000 0.894 428 L HN 0.259 nan 8.230 nan 0.000 0.432 429 Q N -1.553 118.292 119.800 0.076 0.000 2.084 429 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 429 Q C 2.095 178.121 176.000 0.043 0.000 0.978 429 Q CA 1.092 56.941 55.803 0.076 0.000 0.844 429 Q CB -0.229 28.573 28.738 0.105 0.000 0.898 429 Q HN 0.304 nan 8.270 nan 0.000 0.426 430 L N 0.293 121.539 121.223 0.038 0.000 1.994 430 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 430 L C 2.526 179.363 176.870 -0.054 0.000 1.071 430 L CA 1.621 56.467 54.840 0.010 0.000 0.745 430 L CB -1.387 40.696 42.059 0.039 0.000 0.892 430 L HN 0.248 nan 8.230 nan 0.000 0.431 431 V N -3.314 116.525 119.914 -0.125 0.000 2.515 431 V HA -0.193 3.927 4.120 -0.001 0.000 0.250 431 V C 2.284 178.239 176.094 -0.232 0.000 1.058 431 V CA 1.317 63.469 62.300 -0.246 0.000 1.064 431 V CB -0.757 30.723 31.823 -0.571 0.000 0.675 431 V HN 0.369 nan 8.190 nan 0.000 0.461 432 L N 0.995 122.107 121.223 -0.184 0.000 2.179 432 L HA 0.134 4.473 4.340 -0.001 0.000 0.208 432 L C 2.815 179.640 176.870 -0.076 0.000 1.096 432 L CA 1.308 56.062 54.840 -0.144 0.000 0.779 432 L CB -1.074 40.925 42.059 -0.099 0.000 0.922 432 L HN 0.493 nan 8.230 nan 0.000 0.443 433 G N 0.071 108.848 108.800 -0.039 0.000 2.418 433 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 433 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 433 G C 1.512 176.376 174.900 -0.060 0.000 1.158 433 G CA 0.279 45.370 45.100 -0.016 0.000 0.771 433 G HN 0.082 nan 8.290 nan 0.000 0.545 434 L N 0.983 122.156 121.223 -0.083 0.000 2.027 434 L HA 0.044 4.384 4.340 -0.001 0.000 0.206 434 L C 3.043 179.835 176.870 -0.130 0.000 1.074 434 L CA 1.805 56.584 54.840 -0.102 0.000 0.745 434 L CB -1.119 40.882 42.059 -0.098 0.000 0.898 434 L HN 0.278 nan 8.230 nan 0.000 0.433 435 S N -0.634 114.979 115.700 -0.145 0.000 2.359 435 S HA -0.189 4.280 4.470 -0.001 0.000 0.224 435 S C 1.896 176.407 174.600 -0.149 0.000 1.035 435 S CA 1.294 59.391 58.200 -0.172 0.000 1.018 435 S CB -0.286 62.797 63.200 -0.195 0.000 0.876 435 S HN 0.302 nan 8.310 nan 0.000 0.448 436 I N 1.146 121.657 120.570 -0.097 0.000 3.176 436 I HA 0.118 4.288 4.170 -0.001 0.000 0.275 436 I C 1.084 177.158 176.117 -0.072 0.000 1.298 436 I CA 0.732 62.017 61.300 -0.025 0.000 1.445 436 I CB -0.095 37.962 38.000 0.095 0.000 1.075 436 I HN 0.107 nan 8.210 nan 0.000 0.482 437 S N 0.214 115.833 115.700 -0.135 0.000 2.574 437 S HA 0.457 4.927 4.470 -0.001 0.000 0.242 437 S C 1.300 175.745 174.600 -0.257 0.000 0.982 437 S CA 0.318 58.380 58.200 -0.231 0.000 0.977 437 S CB 0.210 63.292 63.200 -0.197 0.000 0.814 437 S HN 0.634 nan 8.310 nan 0.000 0.464 438 G N 0.792 109.489 108.800 -0.172 0.000 2.175 438 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.244 438 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.244 438 G C 0.038 174.841 174.900 -0.162 0.000 0.982 438 G CA -0.062 44.987 45.100 -0.086 0.000 0.641 438 G HN 0.461 nan 8.290 nan 0.000 0.527 439 V N 2.543 122.341 119.914 -0.192 0.000 2.257 439 V HA 0.335 4.455 4.120 -0.001 0.000 0.269 439 V C -0.224 175.691 176.094 -0.298 0.000 1.040 439 V CA -0.607 61.551 62.300 -0.235 0.000 0.813 439 V CB 1.396 33.124 31.823 -0.158 0.000 1.065 439 V HN 0.182 nan 8.190 nan 0.000 0.457 440 P HA -0.047 nan 4.420 nan 0.000 0.216 440 P C 0.337 177.411 177.300 -0.377 0.000 1.153 440 P CA 0.889 63.669 63.100 -0.533 0.000 0.844 440 P CB 0.207 31.401 31.700 -0.844 0.000 0.787 441 F N 2.339 122.092 119.950 -0.329 0.000 2.462 441 F HA 0.265 4.792 4.527 -0.001 0.000 0.354 441 F C 0.954 176.574 175.800 -0.301 0.000 1.192 441 F CA -1.442 56.230 58.000 -0.546 0.000 1.173 441 F CB -0.559 37.552 39.000 -1.481 0.000 1.402 441 F HN -0.180 nan 8.300 nan 0.000 0.595 442 V N -0.341 119.637 119.914 0.107 0.000 3.141 442 V HA 1.131 5.251 4.120 -0.001 0.000 0.312 442 V C -0.219 176.046 176.094 0.285 0.000 1.157 442 V CA -0.785 61.606 62.300 0.151 0.000 1.041 442 V CB 1.716 33.530 31.823 -0.016 0.000 1.071 442 V HN 0.762 nan 8.190 nan 0.000 0.441 443 G N -0.863 108.145 108.800 0.347 0.000 2.495 443 G HA2 0.685 4.644 3.960 -0.001 0.000 0.294 443 G HA3 0.685 4.644 3.960 -0.001 0.000 0.294 443 G C -0.918 174.253 174.900 0.452 0.000 1.397 443 G CA 0.015 45.381 45.100 0.442 0.000 0.790 443 G HN 2.064 nan 8.290 nan 0.000 0.486 444 C N -1.212 118.370 119.300 0.469 0.000 3.044 444 C HA 0.824 5.284 4.460 -0.001 0.000 0.315 444 C C -0.912 174.278 174.990 0.333 0.000 1.320 444 C CA -1.165 58.117 59.018 0.440 0.000 1.582 444 C CB 1.732 29.720 27.740 0.413 0.000 2.039 444 C HN 0.609 nan 8.230 nan 0.000 0.466 445 D N 1.743 122.338 120.400 0.326 0.000 2.338 445 D HA 0.303 4.942 4.640 -0.001 0.000 0.255 445 D C 0.238 176.478 176.300 -0.101 0.000 1.237 445 D CA 0.495 54.573 54.000 0.130 0.000 0.883 445 D CB 0.585 41.549 40.800 0.273 0.000 1.087 445 D HN 0.520 nan 8.370 nan 0.000 0.485 446 I N 1.807 122.221 120.570 -0.259 0.000 2.581 446 I HA 0.092 4.262 4.170 -0.001 0.000 0.285 446 I C 1.614 177.373 176.117 -0.597 0.000 1.129 446 I CA 0.534 61.550 61.300 -0.473 0.000 1.397 446 I CB 0.346 37.879 38.000 -0.779 0.000 1.399 446 I HN 0.670 nan 8.210 nan 0.000 0.537 447 G N 4.028 112.215 108.800 -1.023 0.000 2.194 447 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.236 447 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.236 447 G C 0.553 174.974 174.900 -0.799 0.000 0.987 447 G CA -0.191 44.402 45.100 -0.845 0.000 0.635 447 G HN 1.496 nan 8.290 nan 0.000 0.520 448 G N -1.440 106.897 108.800 -0.771 0.000 2.850 448 G HA2 0.138 4.098 3.960 -0.001 0.000 0.686 448 G HA3 0.138 4.098 3.960 -0.001 0.000 0.686 448 G C 0.240 175.083 174.900 -0.095 0.000 1.164 448 G CA 0.201 45.107 45.100 -0.323 0.000 0.826 448 G HN 1.553 nan 8.290 nan 0.000 0.586 449 F N 2.117 122.045 119.950 -0.038 0.000 2.098 449 F HA 0.132 4.658 4.527 -0.001 0.000 0.294 449 F C 1.783 177.582 175.800 -0.003 0.000 1.107 449 F CA 1.684 59.698 58.000 0.023 0.000 1.234 449 F CB -0.106 39.018 39.000 0.207 0.000 1.002 449 F HN 0.598 nan 8.300 nan 0.000 0.472 450 Q N 1.261 121.012 119.800 -0.081 0.000 2.304 450 Q HA 0.047 4.386 4.340 -0.001 0.000 0.315 450 Q C 0.963 176.757 176.000 -0.343 0.000 1.075 450 Q CA 0.813 56.495 55.803 -0.202 0.000 0.988 450 Q CB 0.237 28.979 28.738 0.006 0.000 1.146 450 Q HN 0.528 nan 8.270 nan 0.000 0.383 451 G N 2.405 110.988 108.800 -0.362 0.000 2.549 451 G HA2 0.045 4.005 3.960 -0.001 0.000 0.219 451 G HA3 0.045 4.005 3.960 -0.001 0.000 0.219 451 G C 0.114 174.845 174.900 -0.283 0.000 1.677 451 G CA -0.076 44.838 45.100 -0.310 0.000 0.929 451 G HN 0.529 nan 8.290 nan 0.000 0.549 452 R N 0.603 120.960 120.500 -0.238 0.000 2.579 452 R HA 0.171 4.510 4.340 -0.001 0.000 0.386 452 R C 0.528 176.737 176.300 -0.151 0.000 1.065 452 R CA -0.159 55.809 56.100 -0.221 0.000 1.143 452 R CB 0.260 30.467 30.300 -0.154 0.000 1.357 452 R HN 0.438 nan 8.270 nan 0.000 0.644 453 N N 0.840 119.467 118.700 -0.122 0.000 2.336 453 N HA -0.002 4.737 4.740 -0.001 0.000 0.189 453 N C -0.077 175.569 175.510 0.226 0.000 1.113 453 N CA 0.285 53.378 53.050 0.071 0.000 0.858 453 N CB 0.206 38.794 38.487 0.168 0.000 0.970 453 N HN 0.191 nan 8.380 nan 0.000 0.471 454 F N -4.100 115.853 119.950 0.005 0.000 2.668 454 F HA 0.760 5.287 4.527 -0.001 0.000 0.309 454 F C 0.835 176.640 175.800 0.009 0.000 1.117 454 F CA -1.352 56.656 58.000 0.013 0.000 0.951 454 F CB 0.672 39.688 39.000 0.026 0.000 1.323 454 F HN -0.159 nan 8.300 nan 0.000 0.451 455 A N -0.112 122.810 122.820 0.170 0.000 1.933 455 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 455 A C 1.046 178.658 177.584 0.047 0.000 1.175 455 A CA 1.494 53.571 52.037 0.067 0.000 0.628 455 A CB -0.893 18.159 19.000 0.088 0.000 0.814 455 A HN 0.748 nan 8.150 nan 0.000 0.444 456 E N 0.069 120.379 120.200 0.182 0.000 2.705 456 E HA 0.319 4.669 4.350 -0.001 0.000 0.272 456 E C -0.693 175.924 176.600 0.028 0.000 1.528 456 E CA 0.269 56.765 56.400 0.160 0.000 1.750 456 E CB -0.535 29.333 29.700 0.279 0.000 1.439 456 E HN 0.568 nan 8.360 nan 0.000 0.449 457 I N 0.572 121.055 120.570 -0.144 0.000 2.418 457 I HA 0.207 4.376 4.170 -0.001 0.000 0.287 457 I C -0.401 175.653 176.117 -0.105 0.000 1.008 457 I CA -0.963 60.209 61.300 -0.213 0.000 1.104 457 I CB 1.761 39.494 38.000 -0.446 0.000 1.264 457 I HN -0.090 nan 8.210 nan 0.000 0.438 458 D N 6.130 126.499 120.400 -0.052 0.000 2.443 458 D HA 0.192 4.831 4.640 -0.001 0.000 0.221 458 D C 0.026 176.294 176.300 -0.053 0.000 1.097 458 D CA -0.128 53.861 54.000 -0.017 0.000 0.865 458 D CB 0.754 41.578 40.800 0.040 0.000 1.034 458 D HN 0.373 nan 8.370 nan 0.000 0.511 459 N N 1.708 120.370 118.700 -0.062 0.000 2.295 459 N HA -0.013 4.726 4.740 -0.001 0.000 0.221 459 N C 0.101 175.572 175.510 -0.064 0.000 1.129 459 N CA -0.097 52.905 53.050 -0.080 0.000 0.836 459 N CB 0.435 38.864 38.487 -0.097 0.000 1.040 459 N HN 0.379 nan 8.380 nan 0.000 0.494 460 S N -0.274 115.404 115.700 -0.036 0.000 2.568 460 S HA 0.103 4.572 4.470 -0.001 0.000 0.282 460 S C 1.593 176.133 174.600 -0.100 0.000 1.338 460 S CA -0.284 57.895 58.200 -0.033 0.000 1.045 460 S CB 1.034 64.271 63.200 0.061 0.000 0.873 460 S HN 0.113 nan 8.310 nan 0.000 0.516 461 M N 1.402 120.871 119.600 -0.218 0.000 2.229 461 M HA -0.081 4.399 4.480 -0.001 0.000 0.264 461 M C 1.727 177.811 176.300 -0.360 0.000 1.063 461 M CA 1.396 56.448 55.300 -0.413 0.000 1.114 461 M CB -0.601 31.486 32.600 -0.854 0.000 1.387 461 M HN 0.865 nan 8.290 nan 0.000 0.420 462 D N 0.736 121.033 120.400 -0.173 0.000 2.183 462 D HA -0.159 4.480 4.640 -0.001 0.000 0.203 462 D C 1.927 178.284 176.300 0.095 0.000 0.969 462 D CA 0.934 55.036 54.000 0.171 0.000 0.842 462 D CB -0.708 40.333 40.800 0.401 0.000 0.957 462 D HN 0.369 nan 8.370 nan 0.000 0.484 463 L N -0.244 120.936 121.223 -0.073 0.000 2.056 463 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 463 L C 2.423 179.208 176.870 -0.143 0.000 1.078 463 L CA 0.779 55.332 54.840 -0.478 0.000 0.749 463 L CB -0.223 41.490 42.059 -0.576 0.000 0.901 463 L HN 0.051 nan 8.230 nan 0.000 0.433 464 L N -0.370 120.855 121.223 0.004 0.000 2.042 464 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 464 L C 2.329 179.348 176.870 0.248 0.000 1.076 464 L CA 1.776 56.697 54.840 0.134 0.000 0.749 464 L CB -0.651 41.451 42.059 0.071 0.000 0.893 464 L HN 0.015 nan 8.230 nan 0.000 0.432 465 V N -0.196 119.832 119.914 0.190 0.000 2.343 465 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 465 V C 2.668 178.883 176.094 0.200 0.000 1.051 465 V CA 1.696 64.139 62.300 0.238 0.000 1.036 465 V CB -0.796 31.156 31.823 0.216 0.000 0.654 465 V HN 0.415 nan 8.190 nan 0.000 0.451 466 K N -0.986 119.462 120.400 0.079 0.000 2.211 466 K HA -0.134 4.185 4.320 -0.001 0.000 0.203 466 K C 1.993 178.558 176.600 -0.058 0.000 1.050 466 K CA 1.351 57.636 56.287 -0.004 0.000 0.945 466 K CB -0.431 31.983 32.500 -0.143 0.000 0.732 466 K HN 0.528 nan 8.250 nan 0.000 0.451 467 Y N -0.157 120.101 120.300 -0.069 0.000 2.163 467 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 467 Y C 2.207 178.026 175.900 -0.134 0.000 1.136 467 Y CA 1.359 59.382 58.100 -0.129 0.000 1.147 467 Y CB -0.530 37.801 38.460 -0.215 0.000 0.987 467 Y HN 0.021 nan 8.280 nan 0.000 0.509 468 Y N -0.976 119.380 120.300 0.094 0.000 2.165 468 Y HA -0.283 4.266 4.550 -0.001 0.000 0.286 468 Y C 2.498 178.465 175.900 0.112 0.000 1.155 468 Y CA 1.364 59.496 58.100 0.054 0.000 1.164 468 Y CB -0.783 37.713 38.460 0.059 0.000 0.978 468 Y HN 0.109 nan 8.280 nan 0.000 0.513 469 A N -0.591 122.374 122.820 0.241 0.000 1.929 469 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 469 A C 2.161 179.875 177.584 0.216 0.000 1.176 469 A CA 1.377 53.536 52.037 0.202 0.000 0.628 469 A CB -1.029 18.084 19.000 0.189 0.000 0.816 469 A HN 0.438 nan 8.150 nan 0.000 0.444 470 L N -0.143 121.140 121.223 0.100 0.000 2.012 470 L HA -0.062 4.277 4.340 -0.001 0.000 0.210 470 L C 2.344 179.073 176.870 -0.234 0.000 1.073 470 L CA 2.330 57.191 54.840 0.035 0.000 0.748 470 L CB -0.433 41.589 42.059 -0.062 0.000 0.891 470 L HN 0.284 nan 8.230 nan 0.000 0.431 471 A N -1.120 121.453 122.820 -0.412 0.000 2.259 471 A HA 0.049 4.368 4.320 -0.001 0.000 0.208 471 A C 1.923 179.440 177.584 -0.111 0.000 1.201 471 A CA 0.589 52.121 52.037 -0.842 0.000 0.824 471 A CB -0.864 17.943 19.000 -0.323 0.000 0.838 471 A HN 0.497 nan 8.150 nan 0.000 0.485 472 L N -1.102 120.085 121.223 -0.059 0.000 2.054 472 L HA -0.198 4.141 4.340 -0.001 0.000 0.220 472 L C 1.313 177.823 176.870 -0.599 0.000 1.081 472 L CA 2.293 56.892 54.840 -0.401 0.000 0.780 472 L CB -0.591 41.016 42.059 -0.754 0.000 0.893 472 L HN 0.419 nan 8.230 nan 0.000 0.438 473 F N -1.976 118.024 119.950 0.084 0.000 2.654 473 F HA 0.264 4.790 4.527 -0.001 0.000 0.303 473 F C 0.496 176.582 175.800 0.476 0.000 1.099 473 F CA -1.118 57.014 58.000 0.220 0.000 1.270 473 F CB -0.267 38.870 39.000 0.228 0.000 1.024 473 F HN -0.211 nan 8.300 nan 0.000 0.548 474 F N 2.105 122.295 119.950 0.400 0.000 2.518 474 F HA 0.194 4.720 4.527 -0.001 0.000 0.359 474 F C -1.073 174.963 175.800 0.392 0.000 1.118 474 F CA -3.089 55.108 58.000 0.329 0.000 1.287 474 F CB 0.054 39.237 39.000 0.304 0.000 1.132 474 F HN -0.131 nan 8.300 nan 0.000 0.587 475 P HA -0.174 nan 4.420 nan 0.000 0.215 475 P C 0.043 177.770 177.300 0.711 0.000 1.157 475 P CA 1.309 64.813 63.100 0.672 0.000 0.863 475 P CB 0.133 32.181 31.700 0.581 0.000 0.787 476 F N -0.136 120.112 119.950 0.497 0.000 2.391 476 F HA 0.362 4.889 4.527 -0.001 0.000 0.359 476 F C -0.625 175.444 175.800 0.449 0.000 1.122 476 F CA -1.449 56.831 58.000 0.468 0.000 1.120 476 F CB 0.161 39.462 39.000 0.502 0.000 1.142 476 F HN -0.153 nan 8.300 nan 0.000 0.483 477 Y N 7.356 127.515 120.300 -0.235 0.000 2.842 477 Y HA 0.449 4.998 4.550 -0.001 0.000 0.334 477 Y C -0.565 175.100 175.900 -0.392 0.000 1.019 477 Y CA -0.571 57.422 58.100 -0.179 0.000 1.258 477 Y CB 0.105 38.574 38.460 0.016 0.000 1.106 477 Y HN 0.641 nan 8.280 nan 0.000 0.545 478 R N 2.683 122.752 120.500 -0.717 0.000 2.628 478 R HA 0.568 4.907 4.340 -0.001 0.000 0.288 478 R C -1.243 174.782 176.300 -0.459 0.000 0.980 478 R CA -0.589 55.102 56.100 -0.682 0.000 0.891 478 R CB 1.778 31.392 30.300 -1.143 0.000 1.188 478 R HN 0.485 nan 8.270 nan 0.000 0.450 479 S N 1.959 117.478 115.700 -0.302 0.000 2.442 479 S HA 0.335 4.804 4.470 -0.001 0.000 0.297 479 S C -1.375 173.172 174.600 -0.088 0.000 1.131 479 S CA -0.418 57.666 58.200 -0.194 0.000 1.092 479 S CB 0.582 63.763 63.200 -0.031 0.000 0.998 479 S HN 0.664 nan 8.310 nan 0.000 0.478 480 H N 2.475 121.442 119.070 -0.172 0.000 2.894 480 H HA 0.737 5.292 4.556 -0.001 0.000 0.367 480 H C -1.170 174.169 175.328 0.018 0.000 1.144 480 H CA -0.552 55.449 56.048 -0.078 0.000 1.180 480 H CB 1.465 31.174 29.762 -0.088 0.000 1.758 480 H HN 0.562 nan 8.280 nan 0.000 0.541 481 K N 2.160 122.285 120.400 -0.458 0.000 2.527 481 K HA 0.779 5.099 4.320 -0.001 0.000 0.260 481 K C -1.189 175.084 176.600 -0.545 0.000 0.937 481 K CA -0.225 55.807 56.287 -0.425 0.000 0.826 481 K CB 2.030 34.370 32.500 -0.266 0.000 1.359 481 K HN 0.725 nan 8.250 nan 0.000 0.434 482 A N 1.197 123.559 122.820 -0.764 0.000 2.386 482 A HA 0.216 4.535 4.320 -0.001 0.000 0.246 482 A C 0.747 178.119 177.584 -0.352 0.000 1.089 482 A CA 0.552 52.197 52.037 -0.653 0.000 0.790 482 A CB -0.217 18.248 19.000 -0.892 0.000 1.042 482 A HN 0.871 nan 8.150 nan 0.000 0.497 483 T N 0.843 115.185 114.554 -0.353 0.000 2.699 483 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 483 T C 1.126 175.684 174.700 -0.237 0.000 1.036 483 T CA 1.913 63.806 62.100 -0.345 0.000 1.147 483 T CB -0.358 68.242 68.868 -0.447 0.000 0.862 483 T HN 0.880 nan 8.240 nan 0.000 0.446 484 D N 1.537 121.810 120.400 -0.211 0.000 2.319 484 D HA 0.159 4.798 4.640 -0.001 0.000 0.230 484 D C 0.842 177.035 176.300 -0.178 0.000 1.094 484 D CA -0.242 53.659 54.000 -0.164 0.000 0.856 484 D CB -0.560 40.166 40.800 -0.122 0.000 0.915 484 D HN 0.395 nan 8.370 nan 0.000 0.517 485 G N 1.090 109.760 108.800 -0.217 0.000 2.507 485 G HA2 0.470 4.429 3.960 -0.001 0.000 0.271 485 G HA3 0.470 4.429 3.960 -0.001 0.000 0.271 485 G C 0.699 175.496 174.900 -0.172 0.000 1.189 485 G CA -0.853 44.120 45.100 -0.212 0.000 0.859 485 G HN 0.365 nan 8.290 nan 0.000 0.542 486 I N -1.370 119.110 120.570 -0.150 0.000 3.060 486 I HA 0.182 4.352 4.170 -0.001 0.000 0.285 486 I C -0.560 175.487 176.117 -0.117 0.000 1.190 486 I CA -0.691 60.531 61.300 -0.130 0.000 1.363 486 I CB 0.562 38.499 38.000 -0.105 0.000 1.396 486 I HN 0.205 nan 8.210 nan 0.000 0.607 487 D N 3.543 123.864 120.400 -0.132 0.000 2.371 487 D HA 0.056 4.696 4.640 -0.001 0.000 0.256 487 D C 1.051 177.389 176.300 0.063 0.000 1.193 487 D CA 0.308 54.260 54.000 -0.081 0.000 0.881 487 D CB 1.311 41.890 40.800 -0.368 0.000 1.143 487 D HN 0.779 nan 8.370 nan 0.000 0.473 488 T N -1.122 113.497 114.554 0.108 0.000 3.069 488 T HA 0.073 4.422 4.350 -0.001 0.000 0.252 488 T C 0.488 175.302 174.700 0.191 0.000 1.053 488 T CA -0.506 61.663 62.100 0.116 0.000 0.964 488 T CB 0.250 69.135 68.868 0.029 0.000 1.005 488 T HN 0.054 nan 8.240 nan 0.000 0.532 489 E N 3.072 123.441 120.200 0.281 0.000 2.414 489 E HA 0.195 4.544 4.350 -0.001 0.000 0.263 489 E C -1.693 174.890 176.600 -0.029 0.000 1.000 489 E CA -2.129 54.351 56.400 0.133 0.000 0.914 489 E CB 0.602 30.351 29.700 0.082 0.000 0.948 489 E HN 0.129 nan 8.360 nan 0.000 0.444 490 P HA -0.216 nan 4.420 nan 0.000 0.217 490 P C 1.085 178.227 177.300 -0.264 0.000 1.148 490 P CA 1.134 64.027 63.100 -0.345 0.000 0.828 490 P CB 0.026 31.171 31.700 -0.925 0.000 0.783 491 V N -5.534 114.126 119.914 -0.424 0.000 3.078 491 V HA -0.109 4.010 4.120 -0.001 0.000 0.265 491 V C 1.356 177.228 176.094 -0.371 0.000 1.122 491 V CA 1.559 63.639 62.300 -0.367 0.000 1.141 491 V CB -1.736 29.776 31.823 -0.519 0.000 0.735 491 V HN -0.064 nan 8.190 nan 0.000 0.498 492 F N 0.214 120.168 119.950 0.007 0.000 2.695 492 F HA 0.517 5.043 4.527 -0.001 0.000 0.303 492 F C 0.893 176.716 175.800 0.038 0.000 1.091 492 F CA -0.994 57.017 58.000 0.019 0.000 1.300 492 F CB -0.224 38.779 39.000 0.005 0.000 1.071 492 F HN 0.077 nan 8.300 nan 0.000 0.578 493 L N 1.167 122.489 121.223 0.166 0.000 2.399 493 L HA 0.370 4.710 4.340 -0.001 0.000 0.266 493 L C -2.022 174.964 176.870 0.193 0.000 1.114 493 L CA -1.993 52.952 54.840 0.175 0.000 0.804 493 L CB 0.592 42.751 42.059 0.165 0.000 1.146 493 L HN -0.221 nan 8.230 nan 0.000 0.451 494 P HA 0.014 nan 4.420 nan 0.000 0.269 494 P C -0.082 177.342 177.300 0.207 0.000 1.215 494 P CA -0.264 62.970 63.100 0.223 0.000 0.780 494 P CB 0.508 32.379 31.700 0.285 0.000 0.898 495 D N 0.610 121.095 120.400 0.142 0.000 2.157 495 D HA -0.259 4.381 4.640 -0.001 0.000 0.191 495 D C 1.616 177.968 176.300 0.087 0.000 1.004 495 D CA 1.811 55.872 54.000 0.103 0.000 0.854 495 D CB -0.748 40.097 40.800 0.074 0.000 0.936 495 D HN 0.495 nan 8.370 nan 0.000 0.446 496 Y N 0.491 120.759 120.300 -0.053 0.000 2.081 496 Y HA -0.339 4.210 4.550 -0.001 0.000 0.280 496 Y C 2.160 177.926 175.900 -0.222 0.000 1.163 496 Y CA 1.736 59.721 58.100 -0.192 0.000 1.135 496 Y CB -0.606 37.641 38.460 -0.355 0.000 0.970 496 Y HN 0.001 nan 8.280 nan 0.000 0.498 497 Y N -0.003 120.333 120.300 0.060 0.000 2.337 497 Y HA -0.047 4.503 4.550 -0.001 0.000 0.293 497 Y C 2.536 178.414 175.900 -0.037 0.000 1.123 497 Y CA 1.419 59.503 58.100 -0.028 0.000 1.201 497 Y CB -0.566 37.956 38.460 0.104 0.000 1.011 497 Y HN 0.070 nan 8.280 nan 0.000 0.545 498 K N 0.428 120.924 120.400 0.161 0.000 2.063 498 K HA -0.211 4.108 4.320 -0.001 0.000 0.208 498 K C 1.975 178.641 176.600 0.110 0.000 1.048 498 K CA 1.631 58.010 56.287 0.153 0.000 0.928 498 K CB -0.004 32.596 32.500 0.167 0.000 0.713 498 K HN 0.067 nan 8.250 nan 0.000 0.442 499 E N 1.073 121.272 120.200 -0.002 0.000 2.110 499 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 499 E C 1.817 178.361 176.600 -0.094 0.000 0.988 499 E CA 1.237 57.595 56.400 -0.069 0.000 0.804 499 E CB 0.082 29.715 29.700 -0.111 0.000 0.745 499 E HN 0.340 nan 8.360 nan 0.000 0.458 500 K N 0.047 120.366 120.400 -0.136 0.000 2.057 500 K HA -0.084 4.235 4.320 -0.001 0.000 0.207 500 K C 2.212 178.772 176.600 -0.066 0.000 1.049 500 K CA 1.183 57.395 56.287 -0.126 0.000 0.931 500 K CB -0.063 32.341 32.500 -0.159 0.000 0.714 500 K HN -0.028 nan 8.250 nan 0.000 0.440 501 V N 1.757 121.632 119.914 -0.064 0.000 2.358 501 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 501 V C 2.335 178.407 176.094 -0.036 0.000 1.047 501 V CA 1.634 63.822 62.300 -0.187 0.000 1.035 501 V CB -0.396 31.182 31.823 -0.408 0.000 0.658 501 V HN 0.321 nan 8.190 nan 0.000 0.452 502 K N 0.230 120.684 120.400 0.088 0.000 2.044 502 K HA -0.256 4.064 4.320 -0.001 0.000 0.210 502 K C 2.130 178.679 176.600 -0.085 0.000 1.049 502 K CA 2.133 58.367 56.287 -0.088 0.000 0.927 502 K CB -0.158 32.137 32.500 -0.342 0.000 0.713 502 K HN 0.601 nan 8.250 nan 0.000 0.443 503 E N 0.294 120.460 120.200 -0.057 0.000 2.110 503 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 503 E C 2.119 178.735 176.600 0.027 0.000 0.988 503 E CA 1.285 57.678 56.400 -0.012 0.000 0.804 503 E CB -0.114 29.581 29.700 -0.009 0.000 0.745 503 E HN 0.388 nan 8.360 nan 0.000 0.458 504 I N 0.820 121.396 120.570 0.010 0.000 2.226 504 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 504 I C 2.374 178.479 176.117 -0.021 0.000 1.100 504 I CA 0.806 62.117 61.300 0.018 0.000 1.374 504 I CB -0.203 37.825 38.000 0.047 0.000 1.057 504 I HN -0.018 nan 8.210 nan 0.000 0.413 505 V N 0.775 120.677 119.914 -0.019 0.000 2.343 505 V HA -0.257 3.862 4.120 -0.001 0.000 0.247 505 V C 2.312 178.457 176.094 0.086 0.000 1.051 505 V CA 1.844 64.124 62.300 -0.033 0.000 1.036 505 V CB -0.683 31.142 31.823 0.003 0.000 0.654 505 V HN 0.438 nan 8.190 nan 0.000 0.451 506 E N -0.156 120.104 120.200 0.101 0.000 2.110 506 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 506 E C 2.112 178.805 176.600 0.155 0.000 0.988 506 E CA 1.225 57.712 56.400 0.145 0.000 0.804 506 E CB -0.213 29.523 29.700 0.059 0.000 0.745 506 E HN 0.413 nan 8.360 nan 0.000 0.458 507 L N 1.342 122.637 121.223 0.119 0.000 2.093 507 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 507 L C 2.331 179.286 176.870 0.142 0.000 1.085 507 L CA 1.616 56.563 54.840 0.178 0.000 0.755 507 L CB -0.276 41.898 42.059 0.192 0.000 0.904 507 L HN -0.066 nan 8.230 nan 0.000 0.435 508 R N -1.879 118.575 120.500 -0.076 0.000 2.081 508 R HA -0.222 4.118 4.340 -0.001 0.000 0.235 508 R C 2.267 178.517 176.300 -0.083 0.000 1.131 508 R CA 1.859 57.816 56.100 -0.239 0.000 0.960 508 R CB -0.505 29.431 30.300 -0.607 0.000 0.856 508 R HN 0.374 nan 8.270 nan 0.000 0.436 509 Y N 0.876 121.186 120.300 0.016 0.000 2.333 509 Y HA -0.157 4.392 4.550 -0.001 0.000 0.290 509 Y C 2.393 178.335 175.900 0.069 0.000 1.144 509 Y CA 1.600 59.730 58.100 0.050 0.000 1.228 509 Y CB -0.156 38.327 38.460 0.039 0.000 0.985 509 Y HN 0.092 nan 8.280 nan 0.000 0.542 510 K N -0.557 119.969 120.400 0.211 0.000 2.097 510 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 510 K C 1.118 177.710 176.600 -0.013 0.000 1.050 510 K CA 1.400 57.733 56.287 0.077 0.000 0.938 510 K CB -0.312 32.207 32.500 0.031 0.000 0.718 510 K HN 0.243 nan 8.250 nan 0.000 0.442 511 F N 0.323 120.344 119.950 0.118 0.000 2.765 511 F HA 0.050 4.577 4.527 -0.001 0.000 0.302 511 F C 1.500 177.429 175.800 0.215 0.000 1.111 511 F CA -0.280 57.835 58.000 0.193 0.000 1.359 511 F CB 0.167 39.343 39.000 0.294 0.000 1.097 511 F HN 0.012 nan 8.300 nan 0.000 0.577 512 L N 1.647 123.031 121.223 0.268 0.000 2.043 512 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 512 L C -0.706 176.276 176.870 0.186 0.000 1.075 512 L CA 2.329 57.275 54.840 0.177 0.000 0.752 512 L CB -1.596 40.540 42.059 0.128 0.000 0.891 512 L HN -0.067 nan 8.230 nan 0.000 0.432 513 P HA -0.225 nan 4.420 nan 0.000 0.216 513 P C 1.233 178.823 177.300 0.482 0.000 1.150 513 P CA 1.399 64.718 63.100 0.364 0.000 0.837 513 P CB -0.219 31.734 31.700 0.423 0.000 0.786 514 Y N 0.242 120.726 120.300 0.307 0.000 2.163 514 Y HA -0.130 4.419 4.550 -0.001 0.000 0.288 514 Y C 2.055 178.120 175.900 0.274 0.000 1.136 514 Y CA 1.146 59.438 58.100 0.319 0.000 1.147 514 Y CB -1.100 37.529 38.460 0.282 0.000 0.987 514 Y HN -0.182 nan 8.280 nan 0.000 0.509 515 I N -0.973 119.673 120.570 0.126 0.000 2.163 515 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 515 I C 2.129 178.144 176.117 -0.169 0.000 1.085 515 I CA 1.889 63.159 61.300 -0.050 0.000 1.347 515 I CB -0.647 37.411 38.000 0.097 0.000 1.044 515 I HN 0.215 nan 8.210 nan 0.000 0.408 516 Y N 1.439 121.555 120.300 -0.305 0.000 2.293 516 Y HA -0.213 4.336 4.550 -0.001 0.000 0.291 516 Y C 2.763 178.549 175.900 -0.189 0.000 1.137 516 Y CA 1.265 59.079 58.100 -0.477 0.000 1.202 516 Y CB -0.298 37.849 38.460 -0.523 0.000 0.990 516 Y HN 0.073 nan 8.280 nan 0.000 0.537 517 S N 0.080 115.810 115.700 0.050 0.000 2.383 517 S HA -0.157 4.313 4.470 -0.001 0.000 0.227 517 S C 2.059 176.596 174.600 -0.105 0.000 1.026 517 S CA 1.445 59.680 58.200 0.059 0.000 0.981 517 S CB -0.473 62.959 63.200 0.386 0.000 0.818 517 S HN 0.440 nan 8.310 nan 0.000 0.472 518 L N 1.016 122.160 121.223 -0.132 0.000 2.141 518 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 518 L C 2.712 179.501 176.870 -0.136 0.000 1.094 518 L CA 0.943 55.690 54.840 -0.155 0.000 0.763 518 L CB -0.642 41.264 42.059 -0.256 0.000 0.908 518 L HN 0.311 nan 8.230 nan 0.000 0.437 519 A N 0.206 122.896 122.820 -0.217 0.000 1.898 519 A HA -0.209 4.110 4.320 -0.001 0.000 0.216 519 A C 2.208 179.693 177.584 -0.164 0.000 1.181 519 A CA 1.518 53.478 52.037 -0.129 0.000 0.620 519 A CB -0.581 18.092 19.000 -0.545 0.000 0.819 519 A HN 0.322 nan 8.150 nan 0.000 0.442 520 L N 0.189 121.204 121.223 -0.345 0.000 2.017 520 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 520 L C 2.230 178.986 176.870 -0.190 0.000 1.073 520 L CA 2.714 57.388 54.840 -0.277 0.000 0.745 520 L CB -0.702 41.185 42.059 -0.286 0.000 0.894 520 L HN 0.594 nan 8.230 nan 0.000 0.432 521 E N -0.596 119.494 120.200 -0.184 0.000 2.085 521 E HA -0.267 4.083 4.350 -0.001 0.000 0.194 521 E C 2.059 178.533 176.600 -0.211 0.000 0.994 521 E CA 1.242 57.530 56.400 -0.187 0.000 0.801 521 E CB -0.172 29.455 29.700 -0.122 0.000 0.743 521 E HN 0.649 nan 8.360 nan 0.000 0.453 522 A N 0.821 123.555 122.820 -0.144 0.000 1.902 522 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 522 A C 2.312 179.782 177.584 -0.190 0.000 1.181 522 A CA 2.051 53.986 52.037 -0.170 0.000 0.623 522 A CB -0.700 18.199 19.000 -0.168 0.000 0.818 522 A HN 0.440 nan 8.150 nan 0.000 0.443 523 S N -0.537 115.093 115.700 -0.115 0.000 2.481 523 S HA -0.070 4.400 4.470 -0.001 0.000 0.231 523 S C 1.469 175.992 174.600 -0.128 0.000 0.996 523 S CA 1.214 59.354 58.200 -0.101 0.000 0.942 523 S CB -0.207 62.971 63.200 -0.036 0.000 0.768 523 S HN 0.695 nan 8.310 nan 0.000 0.520 524 E N 0.737 120.838 120.200 -0.164 0.000 2.132 524 E HA 0.145 4.494 4.350 -0.001 0.000 0.193 524 E C 1.455 177.925 176.600 -0.218 0.000 0.951 524 E CA 0.512 56.811 56.400 -0.168 0.000 0.843 524 E CB 0.085 29.687 29.700 -0.163 0.000 0.807 524 E HN 0.320 nan 8.360 nan 0.000 0.467 525 K N -0.706 119.495 120.400 -0.330 0.000 2.360 525 K HA 0.185 4.504 4.320 -0.001 0.000 0.196 525 K C 0.713 177.110 176.600 -0.338 0.000 1.049 525 K CA 0.614 56.638 56.287 -0.438 0.000 1.049 525 K CB 1.338 33.286 32.500 -0.921 0.000 0.881 525 K HN 0.215 nan 8.250 nan 0.000 0.542 526 G N 1.424 110.062 108.800 -0.270 0.000 2.137 526 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.237 526 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.237 526 G C -0.672 174.222 174.900 -0.011 0.000 1.002 526 G CA -0.114 44.892 45.100 -0.156 0.000 0.702 526 G HN 0.517 nan 8.290 nan 0.000 0.515 527 H N 1.394 120.398 119.070 -0.110 0.000 2.548 527 H HA 0.361 4.916 4.556 -0.001 0.000 0.331 527 H C -1.870 173.341 175.328 -0.194 0.000 1.093 527 H CA -1.630 54.364 56.048 -0.091 0.000 1.367 527 H CB 1.417 31.143 29.762 -0.059 0.000 1.455 527 H HN 0.197 nan 8.280 nan 0.000 0.519 528 P HA -0.060 nan 4.420 nan 0.000 0.274 528 P C 0.668 177.837 177.300 -0.218 0.000 1.231 528 P CA -0.154 62.800 63.100 -0.243 0.000 0.790 528 P CB 1.717 33.227 31.700 -0.315 0.000 0.951 529 V N 2.759 122.591 119.914 -0.138 0.000 2.256 529 V HA -0.116 4.003 4.120 -0.001 0.000 0.240 529 V C 1.487 177.546 176.094 -0.060 0.000 1.036 529 V CA 1.477 63.740 62.300 -0.060 0.000 1.008 529 V CB -0.824 31.048 31.823 0.081 0.000 0.648 529 V HN 0.500 nan 8.190 nan 0.000 0.453 530 I N -0.170 120.382 120.570 -0.029 0.000 2.440 530 I HA 0.611 4.781 4.170 -0.001 0.000 0.294 530 I C -0.299 175.742 176.117 -0.126 0.000 0.995 530 I CA -0.489 60.826 61.300 0.025 0.000 1.306 530 I CB 0.954 38.967 38.000 0.021 0.000 1.407 530 I HN 0.115 nan 8.210 nan 0.000 0.501 531 R N 4.732 125.180 120.500 -0.088 0.000 2.673 531 R HA 0.548 4.887 4.340 -0.001 0.000 0.281 531 R C -2.842 173.362 176.300 -0.160 0.000 0.991 531 R CA -1.865 54.086 56.100 -0.249 0.000 0.896 531 R CB 1.877 31.895 30.300 -0.469 0.000 1.201 531 R HN 0.466 nan 8.270 nan 0.000 0.457 532 P HA 0.067 nan 4.420 nan 0.000 0.274 532 P C 0.652 177.689 177.300 -0.438 0.000 1.231 532 P CA -0.322 62.495 63.100 -0.472 0.000 0.790 532 P CB 0.895 31.984 31.700 -1.017 0.000 0.951 533 L N 1.293 122.366 121.223 -0.251 0.000 2.081 533 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 533 L C 2.404 179.292 176.870 0.030 0.000 1.080 533 L CA 1.876 56.709 54.840 -0.013 0.000 0.754 533 L CB -1.130 40.939 42.059 0.016 0.000 0.893 533 L HN 0.386 nan 8.230 nan 0.000 0.433 534 F N -1.996 117.899 119.950 -0.092 0.000 2.546 534 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 534 F C 2.285 178.021 175.800 -0.107 0.000 1.120 534 F CA 0.306 58.124 58.000 -0.303 0.000 1.456 534 F CB -1.413 36.910 39.000 -1.129 0.000 1.088 534 F HN -0.045 nan 8.300 nan 0.000 0.572 535 Y N 1.571 121.743 120.300 -0.214 0.000 2.200 535 Y HA -0.062 4.487 4.550 -0.001 0.000 0.290 535 Y C 2.094 177.914 175.900 -0.134 0.000 1.137 535 Y CA 1.876 59.914 58.100 -0.102 0.000 1.163 535 Y CB -0.149 38.189 38.460 -0.202 0.000 0.988 535 Y HN 0.006 nan 8.280 nan 0.000 0.518 536 E N -0.748 119.443 120.200 -0.015 0.000 2.318 536 E HA 0.031 4.380 4.350 -0.001 0.000 0.193 536 E C -0.363 175.736 176.600 -0.836 0.000 0.998 536 E CA 0.506 56.641 56.400 -0.442 0.000 0.859 536 E CB 0.110 29.466 29.700 -0.574 0.000 0.812 536 E HN 0.459 nan 8.360 nan 0.000 0.492 537 F N 1.203 121.192 119.950 0.066 0.000 2.577 537 F HA 0.182 4.708 4.527 -0.001 0.000 0.342 537 F C 1.473 177.319 175.800 0.077 0.000 1.479 537 F CA -0.527 57.518 58.000 0.075 0.000 1.110 537 F CB 0.270 39.327 39.000 0.094 0.000 1.306 537 F HN -0.145 nan 8.300 nan 0.000 0.554 538 Q N 0.106 120.004 119.800 0.163 0.000 2.364 538 Q HA -0.178 4.162 4.340 -0.001 0.000 0.209 538 Q C 0.910 177.106 176.000 0.327 0.000 0.977 538 Q CA 1.946 57.894 55.803 0.242 0.000 0.885 538 Q CB -0.259 28.590 28.738 0.185 0.000 0.941 538 Q HN 0.548 nan 8.270 nan 0.000 0.464 539 D N 0.302 120.849 120.400 0.245 0.000 2.355 539 D HA -0.085 4.554 4.640 -0.001 0.000 0.218 539 D C -0.248 176.197 176.300 0.242 0.000 1.004 539 D CA 0.182 54.314 54.000 0.220 0.000 0.880 539 D CB -0.090 40.804 40.800 0.156 0.000 0.911 539 D HN 0.178 nan 8.370 nan 0.000 0.528 540 D N 0.920 121.487 120.400 0.278 0.000 2.412 540 D HA 0.072 4.711 4.640 -0.001 0.000 0.224 540 D C 0.482 176.963 176.300 0.301 0.000 1.093 540 D CA -0.507 53.635 54.000 0.237 0.000 0.850 540 D CB 1.126 42.036 40.800 0.184 0.000 1.046 540 D HN -0.263 nan 8.370 nan 0.000 0.507 541 D N 2.711 123.287 120.400 0.294 0.000 2.190 541 D HA -0.177 4.462 4.640 -0.001 0.000 0.200 541 D C 0.927 177.403 176.300 0.293 0.000 0.992 541 D CA 0.957 55.156 54.000 0.332 0.000 0.854 541 D CB 0.235 41.200 40.800 0.274 0.000 0.936 541 D HN 0.525 nan 8.370 nan 0.000 0.462 542 D N -0.107 120.409 120.400 0.193 0.000 2.149 542 D HA -0.129 4.510 4.640 -0.001 0.000 0.198 542 D C 2.013 178.388 176.300 0.125 0.000 0.990 542 D CA 0.633 54.713 54.000 0.133 0.000 0.839 542 D CB -0.130 40.715 40.800 0.076 0.000 0.948 542 D HN 0.137 nan 8.370 nan 0.000 0.460 543 M N -0.570 119.097 119.600 0.111 0.000 2.358 543 M HA -0.131 4.348 4.480 -0.001 0.000 0.264 543 M C 1.253 177.581 176.300 0.046 0.000 1.064 543 M CA 1.005 56.327 55.300 0.036 0.000 1.093 543 M CB -0.946 31.657 32.600 0.004 0.000 1.401 543 M HN 0.200 nan 8.290 nan 0.000 0.440 544 Y N -0.293 120.054 120.300 0.077 0.000 2.578 544 Y HA 0.010 4.560 4.550 -0.001 0.000 0.297 544 Y C 1.947 177.908 175.900 0.102 0.000 1.176 544 Y CA 0.478 58.595 58.100 0.029 0.000 1.315 544 Y CB -0.177 38.039 38.460 -0.408 0.000 1.031 544 Y HN 0.110 nan 8.280 nan 0.000 0.524 545 R N -0.519 120.107 120.500 0.210 0.000 2.404 545 R HA 0.207 4.546 4.340 -0.001 0.000 0.237 545 R C -0.460 175.919 176.300 0.132 0.000 0.907 545 R CA -0.053 56.147 56.100 0.166 0.000 1.063 545 R CB 0.181 30.562 30.300 0.136 0.000 1.134 545 R HN 0.152 nan 8.270 nan 0.000 0.529 546 I N 1.842 122.482 120.570 0.116 0.000 2.301 546 I HA 0.075 4.244 4.170 -0.001 0.000 0.292 546 I C 0.949 177.121 176.117 0.092 0.000 1.046 546 I CA 0.364 61.707 61.300 0.072 0.000 1.282 546 I CB 0.949 38.960 38.000 0.018 0.000 1.409 546 I HN 0.040 nan 8.210 nan 0.000 0.484 547 E N 2.818 123.076 120.200 0.096 0.000 2.601 547 E HA 0.027 4.376 4.350 -0.001 0.000 0.219 547 E C -0.089 176.577 176.600 0.111 0.000 0.964 547 E CA 0.192 56.660 56.400 0.113 0.000 1.050 547 E CB 0.529 30.309 29.700 0.134 0.000 1.068 547 E HN 0.665 nan 8.360 nan 0.000 0.496 548 D N 0.917 121.368 120.400 0.084 0.000 2.427 548 D HA 0.108 4.747 4.640 -0.001 0.000 0.224 548 D C -0.012 176.323 176.300 0.059 0.000 1.157 548 D CA 0.006 54.055 54.000 0.081 0.000 0.828 548 D CB 0.074 40.904 40.800 0.050 0.000 0.974 548 D HN 0.003 nan 8.370 nan 0.000 0.498 549 E N -0.289 119.958 120.200 0.080 0.000 2.340 549 E HA 0.495 4.845 4.350 -0.001 0.000 0.273 549 E C -1.336 175.366 176.600 0.170 0.000 0.891 549 E CA -1.229 55.190 56.400 0.031 0.000 0.757 549 E CB 2.181 31.844 29.700 -0.063 0.000 1.231 549 E HN 0.244 nan 8.360 nan 0.000 0.439 550 Y N -1.046 119.282 120.300 0.047 0.000 2.581 550 Y HA 0.557 5.106 4.550 -0.001 0.000 0.337 550 Y C -1.260 174.695 175.900 0.091 0.000 1.108 550 Y CA -1.479 56.659 58.100 0.063 0.000 1.033 550 Y CB 0.962 39.499 38.460 0.128 0.000 1.318 550 Y HN 0.249 nan 8.280 nan 0.000 0.459 551 M N 3.267 122.998 119.600 0.219 0.000 2.233 551 M HA 0.415 4.894 4.480 -0.001 0.000 0.355 551 M C -0.992 175.416 176.300 0.180 0.000 1.191 551 M CA -0.836 54.555 55.300 0.151 0.000 1.101 551 M CB 1.549 34.233 32.600 0.139 0.000 1.592 551 M HN 0.626 nan 8.290 nan 0.000 0.461 552 V N 3.072 123.041 119.914 0.091 0.000 2.294 552 V HA 0.637 4.756 4.120 -0.001 0.000 0.272 552 V C 0.809 176.942 176.094 0.066 0.000 1.027 552 V CA 0.086 62.425 62.300 0.066 0.000 0.823 552 V CB 0.233 31.960 31.823 -0.159 0.000 1.030 552 V HN 1.148 nan 8.190 nan 0.000 0.457 553 G N 4.652 113.429 108.800 -0.038 0.000 2.598 553 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.244 553 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.244 553 G C 0.630 175.497 174.900 -0.055 0.000 1.302 553 G CA 0.534 45.577 45.100 -0.095 0.000 0.903 553 G HN 0.733 nan 8.290 nan 0.000 0.575 554 K N -0.779 119.518 120.400 -0.172 0.000 2.379 554 K HA 0.242 4.562 4.320 -0.001 0.000 0.194 554 K C 1.767 178.414 176.600 0.078 0.000 1.031 554 K CA 1.085 57.294 56.287 -0.129 0.000 1.037 554 K CB -0.036 32.303 32.500 -0.269 0.000 0.824 554 K HN 0.519 nan 8.250 nan 0.000 0.516 555 Y N -0.045 120.367 120.300 0.187 0.000 2.522 555 Y HA 0.232 4.781 4.550 -0.001 0.000 0.277 555 Y C 0.626 176.632 175.900 0.177 0.000 1.104 555 Y CA -0.466 57.709 58.100 0.124 0.000 1.260 555 Y CB 0.190 38.640 38.460 -0.017 0.000 1.151 555 Y HN -0.102 nan 8.280 nan 0.000 0.539 556 L N 1.256 122.657 121.223 0.298 0.000 2.295 556 L HA 0.523 4.862 4.340 -0.001 0.000 0.285 556 L C -1.085 175.868 176.870 0.139 0.000 1.035 556 L CA -0.810 54.120 54.840 0.151 0.000 0.806 556 L CB 1.600 43.577 42.059 -0.137 0.000 1.214 556 L HN 0.061 nan 8.230 nan 0.000 0.426 557 L N 5.049 126.394 121.223 0.203 0.000 2.322 557 L HA 0.476 4.816 4.340 -0.001 0.000 0.281 557 L C -1.688 175.240 176.870 0.095 0.000 1.014 557 L CA -0.552 54.338 54.840 0.083 0.000 0.815 557 L CB 1.384 43.375 42.059 -0.113 0.000 1.247 557 L HN 0.635 nan 8.230 nan 0.000 0.421 558 Y N 4.646 124.811 120.300 -0.224 0.000 2.361 558 Y HA 0.672 5.221 4.550 -0.001 0.000 0.337 558 Y C -0.700 175.092 175.900 -0.180 0.000 0.965 558 Y CA -1.367 56.606 58.100 -0.213 0.000 1.091 558 Y CB 1.938 40.161 38.460 -0.394 0.000 1.182 558 Y HN 0.573 nan 8.280 nan 0.000 0.450 559 A N 9.334 131.990 122.820 -0.273 0.000 2.786 559 A HA 0.492 4.811 4.320 -0.001 0.000 0.346 559 A C -2.845 174.456 177.584 -0.471 0.000 1.265 559 A CA -1.719 50.143 52.037 -0.293 0.000 0.858 559 A CB -0.427 18.533 19.000 -0.067 0.000 1.118 559 A HN 0.508 nan 8.150 nan 0.000 0.482 560 P HA 0.080 nan 4.420 nan 0.000 0.268 560 P C -0.264 176.936 177.300 -0.166 0.000 1.205 560 P CA 0.333 63.084 63.100 -0.582 0.000 0.771 560 P CB 0.824 32.251 31.700 -0.455 0.000 0.858 561 I N 3.256 123.799 120.570 -0.044 0.000 2.363 561 I HA -0.007 4.162 4.170 -0.001 0.000 0.292 561 I C 1.327 177.502 176.117 0.095 0.000 1.075 561 I CA -0.211 61.109 61.300 0.034 0.000 1.333 561 I CB 0.729 38.766 38.000 0.062 0.000 1.415 561 I HN 0.175 nan 8.210 nan 0.000 0.502 562 V N 2.756 122.732 119.914 0.105 0.000 3.039 562 V HA 0.349 4.468 4.120 -0.001 0.000 0.369 562 V C 0.347 176.613 176.094 0.287 0.000 1.344 562 V CA -0.146 62.263 62.300 0.181 0.000 1.270 562 V CB -0.857 31.031 31.823 0.109 0.000 1.284 562 V HN 0.701 nan 8.190 nan 0.000 0.518 563 S N -0.456 115.376 115.700 0.219 0.000 2.671 563 S HA 0.635 5.104 4.470 -0.001 0.000 0.277 563 S C 0.076 174.532 174.600 -0.239 0.000 1.165 563 S CA -0.713 57.451 58.200 -0.060 0.000 0.822 563 S CB 1.985 65.135 63.200 -0.083 0.000 1.150 563 S HN 0.109 nan 8.310 nan 0.000 0.479 564 K N 0.836 120.882 120.400 -0.590 0.000 2.486 564 K HA 0.252 4.571 4.320 -0.001 0.000 0.194 564 K C 0.400 176.912 176.600 -0.147 0.000 1.033 564 K CA 0.435 56.461 56.287 -0.435 0.000 1.004 564 K CB -0.374 31.809 32.500 -0.529 0.000 0.798 564 K HN 0.600 nan 8.250 nan 0.000 0.495 565 E N 0.843 120.976 120.200 -0.112 0.000 2.428 565 E HA -0.077 4.272 4.350 -0.001 0.000 0.257 565 E C 0.649 177.239 176.600 -0.015 0.000 1.197 565 E CA 0.064 56.432 56.400 -0.054 0.000 0.974 565 E CB 0.415 30.089 29.700 -0.044 0.000 0.976 565 E HN 0.213 nan 8.360 nan 0.000 0.463 566 E N -0.002 120.190 120.200 -0.013 0.000 2.400 566 E HA -0.028 4.321 4.350 -0.001 0.000 0.195 566 E C -0.223 176.369 176.600 -0.014 0.000 1.012 566 E CA 0.169 56.562 56.400 -0.011 0.000 0.875 566 E CB 0.452 30.143 29.700 -0.015 0.000 0.859 566 E HN 0.422 nan 8.360 nan 0.000 0.498 567 S N -0.680 115.016 115.700 -0.006 0.000 2.671 567 S HA 0.664 5.134 4.470 -0.001 0.000 0.277 567 S C -0.693 173.913 174.600 0.009 0.000 1.165 567 S CA -1.150 57.054 58.200 0.006 0.000 0.822 567 S CB 2.045 65.251 63.200 0.010 0.000 1.150 567 S HN 0.258 nan 8.310 nan 0.000 0.479 568 R N -0.333 120.180 120.500 0.020 0.000 2.795 568 R HA 0.710 5.049 4.340 -0.001 0.000 0.268 568 R C -1.607 174.702 176.300 0.015 0.000 1.041 568 R CA -1.203 54.904 56.100 0.012 0.000 0.927 568 R CB 0.594 30.900 30.300 0.011 0.000 1.235 568 R HN 0.559 nan 8.270 nan 0.000 0.463 569 L N 1.366 122.590 121.223 0.001 0.000 2.350 569 L HA 0.531 4.871 4.340 -0.001 0.000 0.275 569 L C -0.615 176.237 176.870 -0.030 0.000 1.099 569 L CA -1.108 53.725 54.840 -0.010 0.000 0.808 569 L CB 1.750 43.800 42.059 -0.015 0.000 1.149 569 L HN 0.338 nan 8.230 nan 0.000 0.442 570 V N 1.557 121.435 119.914 -0.060 0.000 2.487 570 V HA 0.309 4.428 4.120 -0.001 0.000 0.298 570 V C -0.008 175.969 176.094 -0.196 0.000 1.028 570 V CA -0.568 61.654 62.300 -0.131 0.000 0.860 570 V CB 1.991 33.713 31.823 -0.168 0.000 0.991 570 V HN 0.737 nan 8.190 nan 0.000 0.427 571 T N 6.689 121.118 114.554 -0.208 0.000 2.771 571 T HA 0.603 4.952 4.350 -0.001 0.000 0.291 571 T C -0.268 174.210 174.700 -0.371 0.000 0.954 571 T CA -0.134 61.833 62.100 -0.220 0.000 1.045 571 T CB 0.445 69.224 68.868 -0.148 0.000 0.917 571 T HN 0.342 nan 8.240 nan 0.000 0.484 572 L N 6.090 127.070 121.223 -0.405 0.000 2.307 572 L HA 0.441 4.780 4.340 -0.001 0.000 0.284 572 L C -2.212 174.398 176.870 -0.434 0.000 1.023 572 L CA -2.412 52.047 54.840 -0.634 0.000 0.810 572 L CB 1.706 43.389 42.059 -0.627 0.000 1.231 572 L HN 0.342 nan 8.230 nan 0.000 0.423 573 P HA 0.108 nan 4.420 nan 0.000 0.275 573 P C -0.627 176.618 177.300 -0.092 0.000 1.266 573 P CA -0.712 62.092 63.100 -0.493 0.000 0.793 573 P CB 0.458 31.353 31.700 -1.342 0.000 1.074 574 R N 0.406 120.832 120.500 -0.124 0.000 2.697 574 R HA 0.346 4.685 4.340 -0.001 0.000 0.265 574 R C 0.354 176.757 176.300 0.171 0.000 1.009 574 R CA 1.482 57.626 56.100 0.072 0.000 1.099 574 R CB -0.899 29.465 30.300 0.108 0.000 0.965 574 R HN 0.806 nan 8.270 nan 0.000 0.428 575 G N 2.025 110.898 108.800 0.121 0.000 2.525 575 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.685 575 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.685 575 G C -1.414 173.438 174.900 -0.080 0.000 1.290 575 G CA -0.743 44.352 45.100 -0.008 0.000 0.915 575 G HN 0.572 nan 8.290 nan 0.000 0.548 576 K N -0.645 119.628 120.400 -0.211 0.000 2.143 576 K HA 0.544 4.863 4.320 -0.001 0.000 0.272 576 K C -0.986 175.428 176.600 -0.310 0.000 1.001 576 K CA -0.251 55.982 56.287 -0.091 0.000 0.915 576 K CB 1.278 33.803 32.500 0.042 0.000 1.047 576 K HN 0.441 nan 8.250 nan 0.000 0.458 577 W N 2.145 123.582 121.300 0.228 0.000 2.739 577 W HA 0.224 4.884 4.660 -0.001 0.000 0.331 577 W C -0.793 175.942 176.519 0.361 0.000 1.049 577 W CA -0.747 56.775 57.345 0.294 0.000 1.234 577 W CB 0.829 30.385 29.460 0.159 0.000 1.404 577 W HN 0.437 nan 8.180 nan 0.000 0.477 578 Y N 4.409 124.963 120.300 0.422 0.000 2.341 578 Y HA 0.291 4.840 4.550 -0.001 0.000 0.340 578 Y C 0.284 176.327 175.900 0.239 0.000 0.997 578 Y CA -0.968 57.231 58.100 0.165 0.000 1.149 578 Y CB 0.576 38.926 38.460 -0.183 0.000 1.171 578 Y HN 0.386 nan 8.280 nan 0.000 0.494 579 N N 6.061 124.612 118.700 -0.248 0.000 2.406 579 N HA -0.119 4.620 4.740 -0.001 0.000 0.269 579 N C 0.849 175.915 175.510 -0.739 0.000 1.210 579 N CA 0.347 53.184 53.050 -0.355 0.000 0.966 579 N CB -0.160 38.235 38.487 -0.154 0.000 1.293 579 N HN 0.952 nan 8.380 nan 0.000 0.491 580 Y N 4.337 124.211 120.300 -0.709 0.000 2.132 580 Y HA -0.270 4.279 4.550 -0.001 0.000 0.280 580 Y C 0.876 176.364 175.900 -0.686 0.000 1.193 580 Y CA 2.086 59.769 58.100 -0.695 0.000 1.157 580 Y CB -0.185 37.898 38.460 -0.628 0.000 0.966 580 Y HN 0.625 nan 8.280 nan 0.000 0.511 581 W N -0.090 120.970 121.300 -0.400 0.000 2.494 581 W HA -0.023 4.636 4.660 -0.001 0.000 0.286 581 W C 1.886 178.203 176.519 -0.337 0.000 1.218 581 W CA 0.914 58.007 57.345 -0.421 0.000 1.313 581 W CB -0.333 28.904 29.460 -0.371 0.000 1.105 581 W HN 0.295 nan 8.180 nan 0.000 0.561 582 N N -0.886 117.751 118.700 -0.105 0.000 2.171 582 N HA 0.198 4.937 4.740 -0.001 0.000 0.212 582 N C 1.351 176.767 175.510 -0.158 0.000 1.184 582 N CA 0.593 53.588 53.050 -0.091 0.000 0.888 582 N CB 0.252 38.728 38.487 -0.018 0.000 1.038 582 N HN 0.091 nan 8.380 nan 0.000 0.517 583 G N 0.394 108.985 108.800 -0.349 0.000 2.212 583 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.266 583 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.266 583 G C -0.142 174.695 174.900 -0.106 0.000 0.978 583 G CA 0.515 45.440 45.100 -0.291 0.000 0.632 583 G HN 0.745 nan 8.290 nan 0.000 0.537 584 E N 0.428 120.576 120.200 -0.087 0.000 2.415 584 E HA 0.367 4.716 4.350 -0.001 0.000 0.263 584 E C 0.251 176.909 176.600 0.098 0.000 0.995 584 E CA -0.329 56.088 56.400 0.028 0.000 0.915 584 E CB 0.127 29.856 29.700 0.047 0.000 0.951 584 E HN 0.383 nan 8.360 nan 0.000 0.449 585 I N 6.545 127.205 120.570 0.150 0.000 2.328 585 I HA 0.269 4.438 4.170 -0.001 0.000 0.287 585 I C -0.167 176.067 176.117 0.196 0.000 1.012 585 I CA -0.496 60.932 61.300 0.212 0.000 1.195 585 I CB 0.814 38.931 38.000 0.194 0.000 1.350 585 I HN 0.477 nan 8.210 nan 0.000 0.464 586 I N 5.946 126.663 120.570 0.245 0.000 2.525 586 I HA 0.289 4.458 4.170 -0.001 0.000 0.301 586 I C 0.108 176.362 176.117 0.228 0.000 0.992 586 I CA -0.856 60.566 61.300 0.204 0.000 1.162 586 I CB 1.359 39.468 38.000 0.182 0.000 1.332 586 I HN 0.485 nan 8.210 nan 0.000 0.458 587 N N 3.600 122.398 118.700 0.163 0.000 2.458 587 N HA 0.160 4.899 4.740 -0.001 0.000 0.270 587 N C 0.129 175.744 175.510 0.175 0.000 1.102 587 N CA -0.008 53.133 53.050 0.152 0.000 0.967 587 N CB 1.599 40.145 38.487 0.099 0.000 1.078 587 N HN 0.824 nan 8.380 nan 0.000 0.471 588 G N 0.991 109.934 108.800 0.239 0.000 2.630 588 G HA2 0.063 4.022 3.960 -0.001 0.000 0.236 588 G HA3 0.063 4.022 3.960 -0.001 0.000 0.236 588 G C 0.347 175.306 174.900 0.100 0.000 1.248 588 G CA 0.225 45.478 45.100 0.255 0.000 0.844 588 G HN 0.628 nan 8.290 nan 0.000 0.588 589 K N -1.364 119.053 120.400 0.027 0.000 3.510 589 K HA -0.147 4.172 4.320 -0.001 0.000 0.275 589 K C 0.011 176.605 176.600 -0.010 0.000 1.094 589 K CA 0.999 57.280 56.287 -0.010 0.000 0.822 589 K CB -1.679 30.834 32.500 0.020 0.000 1.351 589 K HN 1.662 nan 8.250 nan 0.000 0.458 590 S N -1.977 113.697 115.700 -0.044 0.000 2.615 590 S HA 0.786 5.255 4.470 -0.001 0.000 0.269 590 S C -0.820 173.733 174.600 -0.077 0.000 1.161 590 S CA -0.536 57.642 58.200 -0.037 0.000 0.817 590 S CB 2.281 65.476 63.200 -0.008 0.000 1.131 590 S HN 0.278 nan 8.310 nan 0.000 0.467 591 V N 1.736 121.616 119.914 -0.056 0.000 2.444 591 V HA 0.784 4.903 4.120 -0.001 0.000 0.294 591 V C -0.055 176.010 176.094 -0.048 0.000 1.022 591 V CA -0.247 62.012 62.300 -0.068 0.000 0.850 591 V CB 1.048 32.845 31.823 -0.043 0.000 0.992 591 V HN 1.218 nan 8.190 nan 0.000 0.426 592 V N 2.079 121.955 119.914 -0.064 0.000 3.126 592 V HA 0.709 4.829 4.120 -0.001 0.000 0.314 592 V C -0.500 175.596 176.094 0.003 0.000 1.138 592 V CA -1.158 61.130 62.300 -0.020 0.000 1.034 592 V CB 2.050 33.868 31.823 -0.007 0.000 1.075 592 V HN 0.797 nan 8.190 nan 0.000 0.442 593 K N 1.838 122.259 120.400 0.035 0.000 2.172 593 K HA 0.538 4.857 4.320 -0.001 0.000 0.276 593 K C 0.388 177.046 176.600 0.096 0.000 1.013 593 K CA -0.015 56.301 56.287 0.047 0.000 0.913 593 K CB 1.361 33.882 32.500 0.036 0.000 1.055 593 K HN 1.170 nan 8.250 nan 0.000 0.461 594 S N 1.870 117.635 115.700 0.109 0.000 2.576 594 S HA -0.004 4.465 4.470 -0.001 0.000 0.272 594 S C 0.906 175.574 174.600 0.114 0.000 1.352 594 S CA 0.178 58.476 58.200 0.164 0.000 1.021 594 S CB 1.093 64.378 63.200 0.142 0.000 0.887 594 S HN 0.790 nan 8.310 nan 0.000 0.542 595 T N -2.726 111.903 114.554 0.124 0.000 3.003 595 T HA 0.263 4.612 4.350 -0.001 0.000 0.261 595 T C 0.067 174.807 174.700 0.067 0.000 1.003 595 T CA 0.059 62.209 62.100 0.084 0.000 0.917 595 T CB -0.419 68.504 68.868 0.092 0.000 1.084 595 T HN 0.887 nan 8.240 nan 0.000 0.522 596 H N -0.221 118.801 119.070 -0.080 0.000 2.946 596 H HA 0.521 5.077 4.556 -0.001 0.000 0.365 596 H C 0.747 175.971 175.328 -0.174 0.000 1.197 596 H CA -0.612 55.287 56.048 -0.250 0.000 1.131 596 H CB 1.999 31.402 29.762 -0.598 0.000 1.849 596 H HN -0.079 nan 8.280 nan 0.000 0.555 597 E N 1.390 121.108 120.200 -0.803 0.000 2.265 597 E HA -0.025 4.325 4.350 -0.001 0.000 0.196 597 E C -0.185 176.360 176.600 -0.091 0.000 0.996 597 E CA 0.796 56.959 56.400 -0.396 0.000 0.832 597 E CB 0.173 29.601 29.700 -0.454 0.000 0.756 597 E HN 0.374 nan 8.360 nan 0.000 0.491 598 L N 1.236 122.521 121.223 0.104 0.000 2.457 598 L HA 0.320 4.659 4.340 -0.001 0.000 0.252 598 L C -2.445 174.785 176.870 0.600 0.000 1.132 598 L CA -2.031 53.089 54.840 0.467 0.000 0.938 598 L CB 1.347 43.724 42.059 0.530 0.000 1.246 598 L HN -0.269 nan 8.230 nan 0.000 0.476 599 P HA 0.043 nan 4.420 nan 0.000 0.248 599 P C -0.463 177.048 177.300 0.352 0.000 1.254 599 P CA 0.909 64.202 63.100 0.322 0.000 1.252 599 P CB -0.101 31.768 31.700 0.283 0.000 1.465 600 I N 3.930 124.596 120.570 0.159 0.000 2.441 600 I HA 0.391 4.561 4.170 -0.001 0.000 0.295 600 I C -0.233 175.685 176.117 -0.331 0.000 0.994 600 I CA -0.843 60.480 61.300 0.039 0.000 1.144 600 I CB 1.330 39.301 38.000 -0.049 0.000 1.314 600 I HN 0.177 nan 8.210 nan 0.000 0.445 601 Y N 5.386 125.768 120.300 0.137 0.000 2.492 601 Y HA 0.595 5.145 4.550 -0.001 0.000 0.346 601 Y C -0.596 175.523 175.900 0.366 0.000 0.997 601 Y CA -0.842 57.404 58.100 0.242 0.000 1.025 601 Y CB 1.770 40.379 38.460 0.249 0.000 1.263 601 Y HN 0.241 nan 8.280 nan 0.000 0.454 602 L N 3.885 125.462 121.223 0.590 0.000 2.329 602 L HA 0.644 4.983 4.340 -0.001 0.000 0.279 602 L C -0.074 177.098 176.870 0.503 0.000 1.014 602 L CA -1.080 54.061 54.840 0.501 0.000 0.814 602 L CB 1.815 44.131 42.059 0.428 0.000 1.257 602 L HN 0.669 nan 8.230 nan 0.000 0.424 603 R N 1.607 122.215 120.500 0.181 0.000 2.459 603 R HA 0.283 4.622 4.340 -0.001 0.000 0.281 603 R C -0.212 175.887 176.300 -0.334 0.000 1.050 603 R CA -0.693 55.134 56.100 -0.455 0.000 1.055 603 R CB 1.336 31.068 30.300 -0.947 0.000 1.045 603 R HN 0.620 nan 8.270 nan 0.000 0.495 604 E N 1.419 121.288 120.200 -0.552 0.000 2.585 604 E HA 0.054 4.404 4.350 -0.001 0.000 0.252 604 E C -0.154 176.047 176.600 -0.665 0.000 0.981 604 E CA 1.279 57.068 56.400 -1.019 0.000 0.943 604 E CB 0.049 29.333 29.700 -0.695 0.000 0.923 604 E HN 0.909 nan 8.360 nan 0.000 0.486 605 G N 3.145 111.518 108.800 -0.711 0.000 2.842 605 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.242 605 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.242 605 G C -0.550 174.019 174.900 -0.552 0.000 1.135 605 G CA -0.100 44.730 45.100 -0.451 0.000 1.048 605 G HN 0.479 nan 8.290 nan 0.000 0.530 606 S N -0.621 114.671 115.700 -0.680 0.000 2.546 606 S HA 0.831 5.301 4.470 -0.001 0.000 0.274 606 S C -0.319 173.783 174.600 -0.830 0.000 1.121 606 S CA -0.710 56.792 58.200 -1.163 0.000 0.887 606 S CB 2.133 64.984 63.200 -0.582 0.000 1.094 606 S HN 0.618 nan 8.310 nan 0.000 0.474 607 I N 2.632 122.600 120.570 -1.004 0.000 2.500 607 I HA 0.414 4.584 4.170 -0.001 0.000 0.286 607 I C -1.689 174.100 176.117 -0.547 0.000 1.063 607 I CA -0.471 60.529 61.300 -0.501 0.000 1.062 607 I CB 1.509 39.345 38.000 -0.273 0.000 1.223 607 I HN 0.400 nan 8.210 nan 0.000 0.435 608 I N 8.519 128.851 120.570 -0.397 0.000 2.418 608 I HA 0.433 4.602 4.170 -0.001 0.000 0.287 608 I C -2.516 173.498 176.117 -0.171 0.000 1.008 608 I CA -2.193 58.842 61.300 -0.442 0.000 1.104 608 I CB 1.780 39.495 38.000 -0.474 0.000 1.264 608 I HN 0.217 nan 8.210 nan 0.000 0.438 609 P HA 0.440 nan 4.420 nan 0.000 0.287 609 P C -0.840 176.523 177.300 0.105 0.000 1.281 609 P CA -0.298 62.896 63.100 0.156 0.000 0.781 609 P CB 0.735 32.658 31.700 0.371 0.000 0.903 610 L N 1.132 122.372 121.223 0.029 0.000 2.304 610 L HA 0.468 4.807 4.340 -0.001 0.000 0.268 610 L C 0.936 177.830 176.870 0.041 0.000 1.010 610 L CA -1.202 53.603 54.840 -0.058 0.000 0.813 610 L CB 1.121 43.065 42.059 -0.192 0.000 1.315 610 L HN 0.332 nan 8.230 nan 0.000 0.445 611 E N 0.316 120.530 120.200 0.024 0.000 2.467 611 E HA 0.091 4.441 4.350 -0.001 0.000 0.264 611 E C 0.724 177.361 176.600 0.063 0.000 1.020 611 E CA 0.948 57.391 56.400 0.072 0.000 0.945 611 E CB 0.370 30.108 29.700 0.063 0.000 0.942 611 E HN 0.771 nan 8.360 nan 0.000 0.449 612 G N 3.987 112.833 108.800 0.077 0.000 2.221 612 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.265 612 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.265 612 G C 0.117 175.074 174.900 0.096 0.000 1.041 612 G CA 0.288 45.427 45.100 0.064 0.000 0.807 612 G HN 0.878 nan 8.290 nan 0.000 0.502 613 D N -0.853 119.621 120.400 0.124 0.000 2.911 613 D HA -0.147 4.492 4.640 -0.001 0.000 0.227 613 D C 0.658 177.037 176.300 0.131 0.000 1.164 613 D CA 1.851 55.944 54.000 0.156 0.000 0.782 613 D CB -0.594 40.339 40.800 0.223 0.000 1.094 613 D HN 0.857 nan 8.370 nan 0.000 0.425 614 E N -0.577 119.675 120.200 0.087 0.000 2.371 614 E HA 0.437 4.786 4.350 -0.001 0.000 0.257 614 E C -0.229 176.399 176.600 0.048 0.000 1.134 614 E CA -0.322 56.107 56.400 0.049 0.000 0.919 614 E CB 0.909 30.612 29.700 0.005 0.000 1.025 614 E HN 0.015 nan 8.360 nan 0.000 0.438 615 L N 2.666 123.906 121.223 0.028 0.000 2.482 615 L HA 0.464 4.803 4.340 -0.001 0.000 0.263 615 L C -1.523 175.340 176.870 -0.013 0.000 0.957 615 L CA -0.207 54.650 54.840 0.027 0.000 0.836 615 L CB 1.816 43.925 42.059 0.083 0.000 1.324 615 L HN 0.436 nan 8.230 nan 0.000 0.406 616 I N 4.569 125.109 120.570 -0.049 0.000 2.436 616 I HA 0.599 4.768 4.170 -0.001 0.000 0.289 616 I C -1.016 175.038 176.117 -0.105 0.000 1.010 616 I CA -0.865 60.393 61.300 -0.069 0.000 1.098 616 I CB 2.034 39.999 38.000 -0.058 0.000 1.266 616 I HN 0.178 nan 8.210 nan 0.000 0.434 617 V N 6.598 126.455 119.914 -0.095 0.000 2.588 617 V HA 0.425 4.544 4.120 -0.001 0.000 0.304 617 V C -1.400 174.659 176.094 -0.059 0.000 1.042 617 V CA -0.752 61.483 62.300 -0.108 0.000 0.877 617 V CB 2.154 33.924 31.823 -0.088 0.000 0.996 617 V HN 0.531 nan 8.190 nan 0.000 0.425 618 Y N 3.809 123.946 120.300 -0.271 0.000 2.301 618 Y HA 0.663 5.213 4.550 -0.001 0.000 0.325 618 Y C 0.156 175.909 175.900 -0.244 0.000 1.103 618 Y CA -0.054 57.883 58.100 -0.271 0.000 1.182 618 Y CB 1.251 39.516 38.460 -0.324 0.000 1.139 618 Y HN 1.129 nan 8.280 nan 0.000 0.443 619 G N 4.546 113.193 108.800 -0.256 0.000 2.681 619 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.220 619 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.220 619 G C -1.079 173.669 174.900 -0.254 0.000 1.353 619 G CA -0.397 44.481 45.100 -0.370 0.000 0.872 619 G HN 0.689 nan 8.290 nan 0.000 0.557 620 E N -0.229 119.835 120.200 -0.227 0.000 2.175 620 E HA 0.662 5.012 4.350 -0.001 0.000 0.278 620 E C 0.106 176.617 176.600 -0.148 0.000 0.969 620 E CA 0.058 56.362 56.400 -0.161 0.000 0.796 620 E CB 1.992 31.621 29.700 -0.118 0.000 1.104 620 E HN 0.744 nan 8.360 nan 0.000 0.395 621 T N 0.766 115.253 114.554 -0.111 0.000 2.676 621 T HA 0.256 4.605 4.350 -0.001 0.000 0.308 621 T C -1.762 172.946 174.700 0.014 0.000 1.740 621 T CA -0.586 61.492 62.100 -0.037 0.000 0.982 621 T CB 1.588 70.417 68.868 -0.065 0.000 1.724 621 T HN 0.251 nan 8.240 nan 0.000 0.497 622 S N 1.190 116.957 115.700 0.112 0.000 2.561 622 S HA 0.817 5.286 4.470 -0.001 0.000 0.303 622 S C -1.674 173.099 174.600 0.287 0.000 1.110 622 S CA -0.569 57.706 58.200 0.124 0.000 1.034 622 S CB 0.559 63.797 63.200 0.064 0.000 1.010 622 S HN 0.563 nan 8.310 nan 0.000 0.482 623 F N 3.877 123.882 119.950 0.092 0.000 2.576 623 F HA 0.631 5.157 4.527 -0.001 0.000 0.313 623 F C -0.745 175.103 175.800 0.080 0.000 1.078 623 F CA -0.849 57.243 58.000 0.153 0.000 0.921 623 F CB 1.551 40.710 39.000 0.265 0.000 1.232 623 F HN 0.479 nan 8.300 nan 0.000 0.459 624 K N 5.731 125.621 120.400 -0.849 0.000 2.367 624 K HA 0.403 4.722 4.320 -0.001 0.000 0.263 624 K C -0.426 175.567 176.600 -1.011 0.000 1.000 624 K CA -0.733 55.152 56.287 -0.670 0.000 0.891 624 K CB 1.063 33.336 32.500 -0.379 0.000 1.117 624 K HN 0.868 nan 8.250 nan 0.000 0.443 625 R N 2.518 122.677 120.500 -0.569 0.000 2.679 625 R HA -0.001 4.338 4.340 -0.001 0.000 0.269 625 R C 0.976 177.131 176.300 -0.240 0.000 1.076 625 R CA 0.076 55.998 56.100 -0.296 0.000 1.160 625 R CB 0.314 30.560 30.300 -0.089 0.000 1.054 625 R HN 0.718 nan 8.270 nan 0.000 0.507 626 Y N 0.462 120.733 120.300 -0.048 0.000 2.365 626 Y HA -0.163 4.386 4.550 -0.001 0.000 0.287 626 Y C 0.903 176.792 175.900 -0.017 0.000 1.162 626 Y CA 1.352 59.402 58.100 -0.083 0.000 1.260 626 Y CB -0.309 38.161 38.460 0.016 0.000 0.976 626 Y HN 0.593 nan 8.280 nan 0.000 0.548 627 D N 0.096 120.246 120.400 -0.416 0.000 2.336 627 D HA -0.026 4.614 4.640 -0.001 0.000 0.228 627 D C 0.617 176.851 176.300 -0.110 0.000 1.120 627 D CA 0.622 54.504 54.000 -0.196 0.000 0.839 627 D CB -0.767 39.848 40.800 -0.308 0.000 0.932 627 D HN 0.662 nan 8.370 nan 0.000 0.509 628 N N 0.176 118.804 118.700 -0.119 0.000 2.965 628 N HA -0.222 4.517 4.740 -0.001 0.000 0.232 628 N C -0.520 174.940 175.510 -0.082 0.000 0.913 628 N CA 0.969 53.964 53.050 -0.092 0.000 0.981 628 N CB -1.845 36.614 38.487 -0.047 0.000 1.077 628 N HN 0.322 nan 8.380 nan 0.000 0.589 629 A N 0.951 123.719 122.820 -0.086 0.000 2.409 629 A HA 0.463 4.783 4.320 -0.001 0.000 0.267 629 A C 0.190 177.756 177.584 -0.031 0.000 1.127 629 A CA -0.039 51.985 52.037 -0.022 0.000 0.795 629 A CB 0.183 19.195 19.000 0.021 0.000 1.061 629 A HN 0.391 nan 8.150 nan 0.000 0.502 630 E N 1.896 122.090 120.200 -0.010 0.000 2.197 630 E HA 0.472 4.821 4.350 -0.001 0.000 0.281 630 E C -1.001 175.589 176.600 -0.016 0.000 0.995 630 E CA -0.171 56.210 56.400 -0.032 0.000 0.808 630 E CB 1.512 31.188 29.700 -0.040 0.000 1.093 630 E HN 0.621 nan 8.360 nan 0.000 0.394 631 I N 2.345 122.907 120.570 -0.013 0.000 2.389 631 I HA 0.247 4.416 4.170 -0.001 0.000 0.288 631 I C -0.411 175.640 176.117 -0.110 0.000 0.999 631 I CA -0.528 60.682 61.300 -0.151 0.000 1.129 631 I CB 1.908 39.855 38.000 -0.088 0.000 1.288 631 I HN 0.317 nan 8.210 nan 0.000 0.444 632 T N 3.875 118.308 114.554 -0.201 0.000 2.815 632 T HA 0.366 4.716 4.350 -0.001 0.000 0.289 632 T C -0.094 174.504 174.700 -0.169 0.000 1.000 632 T CA -0.694 61.329 62.100 -0.127 0.000 0.958 632 T CB 1.321 70.136 68.868 -0.089 0.000 0.944 632 T HN 0.683 nan 8.240 nan 0.000 0.442 633 S N 2.363 117.981 115.700 -0.138 0.000 2.509 633 S HA 0.859 5.328 4.470 -0.001 0.000 0.297 633 S C 0.179 174.714 174.600 -0.108 0.000 1.118 633 S CA -0.628 57.489 58.200 -0.139 0.000 1.074 633 S CB 1.529 64.641 63.200 -0.147 0.000 1.038 633 S HN 0.776 nan 8.310 nan 0.000 0.498 634 S N 1.268 116.911 115.700 -0.094 0.000 2.900 634 S HA 0.552 5.021 4.470 -0.001 0.000 0.320 634 S C 1.335 175.891 174.600 -0.073 0.000 1.130 634 S CA -0.024 58.129 58.200 -0.077 0.000 0.863 634 S CB 0.354 63.517 63.200 -0.062 0.000 1.295 634 S HN 1.324 nan 8.310 nan 0.000 0.596 635 S N 1.733 117.396 115.700 -0.062 0.000 2.380 635 S HA -0.195 4.274 4.470 -0.001 0.000 0.229 635 S C 0.753 175.319 174.600 -0.056 0.000 1.050 635 S CA 1.731 59.897 58.200 -0.056 0.000 1.100 635 S CB -1.010 62.163 63.200 -0.046 0.000 0.984 635 S HN 0.779 nan 8.310 nan 0.000 0.434 636 N N 1.261 119.930 118.700 -0.051 0.000 2.547 636 N HA 0.338 5.077 4.740 -0.001 0.000 0.285 636 N C -1.025 174.459 175.510 -0.043 0.000 1.600 636 N CA 0.003 53.023 53.050 -0.050 0.000 0.872 636 N CB 1.234 39.693 38.487 -0.047 0.000 1.412 636 N HN 0.726 nan 8.380 nan 0.000 0.489 637 E N 0.951 121.122 120.200 -0.048 0.000 2.335 637 E HA 0.403 4.753 4.350 -0.001 0.000 0.280 637 E C -1.412 175.147 176.600 -0.069 0.000 0.918 637 E CA -0.447 55.928 56.400 -0.041 0.000 0.765 637 E CB 1.944 31.625 29.700 -0.032 0.000 1.218 637 E HN 0.036 nan 8.360 nan 0.000 0.425 638 I N 4.111 124.642 120.570 -0.066 0.000 2.382 638 I HA 0.350 4.520 4.170 -0.001 0.000 0.285 638 I C -0.225 175.749 176.117 -0.237 0.000 1.007 638 I CA -0.696 60.494 61.300 -0.184 0.000 1.142 638 I CB 1.442 39.339 38.000 -0.172 0.000 1.289 638 I HN 0.252 nan 8.210 nan 0.000 0.453 639 K N 5.457 125.679 120.400 -0.297 0.000 2.098 639 K HA 0.668 4.988 4.320 -0.001 0.000 0.258 639 K C -1.293 175.060 176.600 -0.411 0.000 0.973 639 K CA -0.526 55.655 56.287 -0.177 0.000 0.898 639 K CB 1.647 34.102 32.500 -0.075 0.000 1.057 639 K HN 0.240 nan 8.250 nan 0.000 0.447 640 F N 0.059 120.007 119.950 -0.002 0.000 2.529 640 F HA 0.111 4.637 4.527 -0.000 0.000 0.320 640 F C 1.372 177.169 175.800 -0.004 0.000 1.118 640 F CA -0.810 57.191 58.000 0.001 0.000 0.915 640 F CB 1.961 40.960 39.000 -0.002 0.000 1.161 640 F HN 0.593 nan 8.300 nan 0.000 0.445 641 S N 2.120 117.903 115.700 0.139 0.000 2.474 641 S HA -0.017 4.453 4.470 -0.001 0.000 0.235 641 S C 0.495 175.141 174.600 0.078 0.000 0.997 641 S CA 0.501 58.746 58.200 0.075 0.000 0.949 641 S CB -0.329 62.891 63.200 0.033 0.000 0.766 641 S HN 0.777 nan 8.310 nan 0.000 0.517 642 R N -0.100 120.465 120.500 0.108 0.000 2.733 642 R HA 0.437 4.776 4.340 -0.001 0.000 0.272 642 R C -1.413 174.916 176.300 0.049 0.000 1.029 642 R CA -0.997 55.141 56.100 0.063 0.000 0.888 642 R CB 0.568 30.890 30.300 0.037 0.000 1.251 642 R HN 0.141 nan 8.270 nan 0.000 0.464 643 E N 2.366 122.569 120.200 0.005 0.000 2.351 643 E HA 0.247 4.597 4.350 -0.001 0.000 0.266 643 E C -0.455 176.115 176.600 -0.050 0.000 1.031 643 E CA -0.396 55.976 56.400 -0.047 0.000 0.911 643 E CB 0.484 30.163 29.700 -0.036 0.000 0.986 643 E HN 0.449 nan 8.360 nan 0.000 0.446 644 I N 1.609 122.105 120.570 -0.125 0.000 2.769 644 I HA 0.402 4.572 4.170 -0.001 0.000 0.298 644 I C -1.260 174.800 176.117 -0.094 0.000 1.128 644 I CA -1.371 59.889 61.300 -0.067 0.000 1.031 644 I CB 1.347 39.332 38.000 -0.026 0.000 1.235 644 I HN 0.478 nan 8.210 nan 0.000 0.423 645 Y N 4.745 124.986 120.300 -0.099 0.000 2.346 645 Y HA 0.637 5.186 4.550 -0.001 0.000 0.330 645 Y C -0.824 175.027 175.900 -0.080 0.000 1.178 645 Y CA 0.044 58.092 58.100 -0.087 0.000 1.331 645 Y CB 1.267 39.701 38.460 -0.044 0.000 1.253 645 Y HN 0.448 nan 8.280 nan 0.000 0.529 646 V N 6.545 126.194 119.914 -0.442 0.000 2.623 646 V HA 0.222 4.342 4.120 -0.001 0.000 0.304 646 V C 0.063 175.999 176.094 -0.263 0.000 1.054 646 V CA -0.003 62.183 62.300 -0.190 0.000 0.882 646 V CB 1.324 33.031 31.823 -0.194 0.000 1.002 646 V HN 0.995 nan 8.190 nan 0.000 0.424 647 S N 4.236 119.971 115.700 0.059 0.000 2.310 647 S HA 0.239 4.708 4.470 -0.001 0.000 0.176 647 S C 0.661 175.272 174.600 0.018 0.000 1.002 647 S CA 0.148 58.414 58.200 0.110 0.000 1.105 647 S CB 0.047 63.369 63.200 0.203 0.000 0.852 647 S HN 0.580 nan 8.310 nan 0.000 0.475 648 K N 0.728 121.149 120.400 0.035 0.000 2.118 648 K HA 0.548 4.867 4.320 -0.001 0.000 0.267 648 K C -1.601 175.005 176.600 0.010 0.000 0.991 648 K CA -0.752 55.542 56.287 0.012 0.000 0.916 648 K CB 1.032 33.538 32.500 0.009 0.000 1.041 648 K HN 0.375 nan 8.250 nan 0.000 0.455 649 L N 2.582 123.807 121.223 0.004 0.000 2.381 649 L HA 0.428 4.768 4.340 -0.001 0.000 0.274 649 L C -1.296 175.576 176.870 0.002 0.000 0.988 649 L CA 0.117 54.963 54.840 0.011 0.000 0.824 649 L CB 2.055 44.127 42.059 0.021 0.000 1.263 649 L HN 0.553 nan 8.230 nan 0.000 0.410 650 T N 6.527 121.074 114.554 -0.011 0.000 2.797 650 T HA 0.641 4.991 4.350 -0.001 0.000 0.279 650 T C -0.288 174.388 174.700 -0.039 0.000 0.991 650 T CA -0.078 62.006 62.100 -0.026 0.000 0.979 650 T CB 0.864 69.704 68.868 -0.047 0.000 0.943 650 T HN 0.452 nan 8.240 nan 0.000 0.444 651 I N 3.074 123.635 120.570 -0.015 0.000 2.410 651 I HA 0.296 4.465 4.170 -0.001 0.000 0.286 651 I C 0.579 176.670 176.117 -0.043 0.000 1.009 651 I CA -0.776 60.511 61.300 -0.021 0.000 1.111 651 I CB 1.874 39.888 38.000 0.023 0.000 1.262 651 I HN 0.568 nan 8.210 nan 0.000 0.443 652 T N 3.456 117.864 114.554 -0.243 0.000 2.806 652 T HA 0.556 4.905 4.350 -0.001 0.000 0.290 652 T C -0.417 174.176 174.700 -0.178 0.000 0.966 652 T CA -0.277 61.534 62.100 -0.482 0.000 1.060 652 T CB 1.151 69.121 68.868 -1.497 0.000 0.927 652 T HN 0.594 nan 8.240 nan 0.000 0.485 653 S N 2.512 118.209 115.700 -0.005 0.000 2.543 653 S HA 0.291 4.761 4.470 -0.001 0.000 0.273 653 S C 0.465 175.153 174.600 0.147 0.000 1.152 653 S CA -0.703 57.555 58.200 0.097 0.000 0.910 653 S CB 1.612 64.839 63.200 0.046 0.000 1.105 653 S HN 0.835 nan 8.310 nan 0.000 0.465 654 E N 1.938 122.208 120.200 0.115 0.000 2.285 654 E HA 0.042 4.391 4.350 -0.001 0.000 0.194 654 E C -0.086 176.568 176.600 0.090 0.000 0.997 654 E CA 0.591 57.056 56.400 0.108 0.000 0.845 654 E CB 0.169 29.926 29.700 0.095 0.000 0.782 654 E HN 0.430 nan 8.360 nan 0.000 0.491 655 K N 2.440 122.868 120.400 0.047 0.000 2.183 655 K HA 0.215 4.534 4.320 -0.001 0.000 0.274 655 K C -2.416 174.135 176.600 -0.083 0.000 1.009 655 K CA -2.116 54.168 56.287 -0.005 0.000 0.888 655 K CB 1.021 33.502 32.500 -0.032 0.000 1.078 655 K HN -0.093 nan 8.250 nan 0.000 0.459 656 P HA -0.041 nan 4.420 nan 0.000 0.266 656 P C -0.659 176.355 177.300 -0.476 0.000 1.195 656 P CA -0.100 62.861 63.100 -0.230 0.000 0.768 656 P CB 0.641 32.315 31.700 -0.044 0.000 0.838 657 V N 2.769 122.109 119.914 -0.956 0.000 2.409 657 V HA 0.171 4.290 4.120 -0.001 0.000 0.291 657 V C 1.142 177.024 176.094 -0.352 0.000 1.020 657 V CA -0.026 61.892 62.300 -0.636 0.000 0.848 657 V CB 1.279 32.661 31.823 -0.734 0.000 0.990 657 V HN 0.539 nan 8.190 nan 0.000 0.430 658 S N 3.066 118.660 115.700 -0.176 0.000 2.475 658 S HA 0.200 4.669 4.470 -0.001 0.000 0.224 658 S C 0.418 174.990 174.600 -0.048 0.000 1.042 658 S CA 0.200 58.354 58.200 -0.077 0.000 0.935 658 S CB 0.154 63.321 63.200 -0.055 0.000 0.801 658 S HN 0.896 nan 8.310 nan 0.000 0.509 659 K N 0.510 120.874 120.400 -0.061 0.000 2.658 659 K HA 0.541 4.861 4.320 -0.001 0.000 0.293 659 K C -1.701 174.875 176.600 -0.041 0.000 1.026 659 K CA -1.063 55.201 56.287 -0.037 0.000 0.871 659 K CB 0.819 33.303 32.500 -0.027 0.000 1.524 659 K HN 0.172 nan 8.250 nan 0.000 0.400 660 I N -1.496 119.058 120.570 -0.027 0.000 2.828 660 I HA 0.648 4.817 4.170 -0.001 0.000 0.302 660 I C -1.155 174.951 176.117 -0.018 0.000 1.101 660 I CA -1.340 59.947 61.300 -0.022 0.000 1.031 660 I CB 1.996 39.988 38.000 -0.013 0.000 1.231 660 I HN 0.572 nan 8.210 nan 0.000 0.427 661 I N 4.741 125.303 120.570 -0.013 0.000 2.436 661 I HA 0.382 4.551 4.170 -0.001 0.000 0.289 661 I C -0.608 175.505 176.117 -0.007 0.000 1.010 661 I CA -1.085 60.207 61.300 -0.013 0.000 1.098 661 I CB 2.148 40.141 38.000 -0.013 0.000 1.266 661 I HN 0.338 nan 8.210 nan 0.000 0.434 662 V N 5.545 125.447 119.914 -0.019 0.000 2.406 662 V HA 0.114 4.234 4.120 -0.001 0.000 0.272 662 V C 0.165 176.245 176.094 -0.022 0.000 1.043 662 V CA -0.329 61.955 62.300 -0.026 0.000 0.915 662 V CB 0.767 32.555 31.823 -0.058 0.000 0.988 662 V HN 0.823 nan 8.190 nan 0.000 0.466 663 D N 4.004 124.399 120.400 -0.008 0.000 2.692 663 D HA -0.206 4.433 4.640 -0.001 0.000 0.233 663 D C 0.631 176.927 176.300 -0.006 0.000 1.172 663 D CA 1.163 55.160 54.000 -0.005 0.000 0.636 663 D CB -0.662 40.127 40.800 -0.019 0.000 1.028 663 D HN 0.936 nan 8.370 nan 0.000 0.419 664 D N -2.631 117.766 120.400 -0.003 0.000 3.039 664 D HA -0.244 4.396 4.640 -0.001 0.000 0.222 664 D C 1.055 177.349 176.300 -0.010 0.000 1.179 664 D CA 1.672 55.669 54.000 -0.006 0.000 0.880 664 D CB -1.176 39.622 40.800 -0.004 0.000 1.115 664 D HN 0.585 nan 8.370 nan 0.000 0.416 665 S N -0.763 114.928 115.700 -0.014 0.000 3.517 665 S HA 0.081 4.550 4.470 -0.001 0.000 0.173 665 S C 0.609 175.198 174.600 -0.018 0.000 0.785 665 S CA -0.445 57.745 58.200 -0.016 0.000 0.932 665 S CB 0.971 64.161 63.200 -0.017 0.000 1.213 665 S HN 0.136 nan 8.310 nan 0.000 0.772 666 K N 2.685 123.071 120.400 -0.023 0.000 2.436 666 K HA 0.086 4.405 4.320 -0.001 0.000 0.282 666 K C -0.817 175.768 176.600 -0.025 0.000 1.044 666 K CA 0.360 56.632 56.287 -0.025 0.000 1.028 666 K CB 0.149 32.630 32.500 -0.033 0.000 0.919 666 K HN 0.371 nan 8.250 nan 0.000 0.474 667 E N 4.570 124.757 120.200 -0.021 0.000 2.227 667 E HA 0.241 4.591 4.350 -0.001 0.000 0.282 667 E C -0.475 176.114 176.600 -0.020 0.000 1.015 667 E CA -0.488 55.900 56.400 -0.019 0.000 0.823 667 E CB 1.282 30.973 29.700 -0.016 0.000 1.081 667 E HN 0.499 nan 8.360 nan 0.000 0.396 668 I N 2.579 123.137 120.570 -0.020 0.000 2.474 668 I HA 0.124 4.293 4.170 -0.001 0.000 0.294 668 I C 0.181 176.290 176.117 -0.012 0.000 1.005 668 I CA -0.763 60.526 61.300 -0.018 0.000 1.113 668 I CB 1.815 39.801 38.000 -0.024 0.000 1.289 668 I HN 0.416 nan 8.210 nan 0.000 0.436 669 Q N 4.932 124.727 119.800 -0.007 0.000 2.332 669 Q HA 0.313 4.653 4.340 -0.001 0.000 0.263 669 Q C -1.461 174.545 176.000 0.009 0.000 0.979 669 Q CA -0.134 55.669 55.803 0.000 0.000 0.885 669 Q CB 1.377 30.116 28.738 0.002 0.000 1.218 669 Q HN 0.485 nan 8.270 nan 0.000 0.405 670 V N 3.931 123.858 119.914 0.021 0.000 2.581 670 V HA 0.329 4.448 4.120 -0.001 0.000 0.303 670 V C -0.480 175.661 176.094 0.078 0.000 1.041 670 V CA -0.535 61.795 62.300 0.050 0.000 0.907 670 V CB 1.719 33.574 31.823 0.054 0.000 0.994 670 V HN 0.887 nan 8.190 nan 0.000 0.442 671 E N 3.863 124.111 120.200 0.080 0.000 2.187 671 E HA 0.392 4.742 4.350 -0.001 0.000 0.268 671 E C -0.745 175.882 176.600 0.045 0.000 0.896 671 E CA -0.836 55.600 56.400 0.060 0.000 0.766 671 E CB 1.504 31.215 29.700 0.019 0.000 1.142 671 E HN 0.601 nan 8.360 nan 0.000 0.408 672 K N 3.545 123.952 120.400 0.012 0.000 2.273 672 K HA 0.104 4.423 4.320 -0.001 0.000 0.287 672 K C 0.689 177.189 176.600 -0.167 0.000 1.089 672 K CA 0.118 56.285 56.287 -0.199 0.000 0.909 672 K CB 0.470 32.848 32.500 -0.202 0.000 1.123 672 K HN 0.664 nan 8.250 nan 0.000 0.473 673 T N 1.667 116.113 114.554 -0.181 0.000 3.043 673 T HA 0.066 4.415 4.350 -0.001 0.000 0.263 673 T C 0.789 175.413 174.700 -0.126 0.000 1.094 673 T CA 0.310 62.337 62.100 -0.123 0.000 1.127 673 T CB -0.358 68.448 68.868 -0.102 0.000 0.905 673 T HN 0.704 nan 8.240 nan 0.000 0.490 674 M N -0.447 119.047 119.600 -0.177 0.000 3.118 674 M HA 0.327 4.806 4.480 -0.001 0.000 0.276 674 M C -1.703 174.495 176.300 -0.171 0.000 1.099 674 M CA -1.340 53.878 55.300 -0.136 0.000 0.802 674 M CB 1.466 34.006 32.600 -0.100 0.000 1.618 674 M HN 0.035 nan 8.290 nan 0.000 0.535 675 Q N 1.437 121.175 119.800 -0.103 0.000 2.368 675 Q HA 0.081 4.421 4.340 -0.001 0.000 0.331 675 Q C -0.405 175.552 176.000 -0.071 0.000 1.086 675 Q CA 0.951 56.708 55.803 -0.078 0.000 1.031 675 Q CB -0.195 28.530 28.738 -0.022 0.000 1.125 675 Q HN 0.812 nan 8.270 nan 0.000 0.389 676 N N 0.299 118.947 118.700 -0.087 0.000 2.815 676 N HA -0.152 4.587 4.740 -0.001 0.000 0.247 676 N C -1.028 174.391 175.510 -0.151 0.000 1.030 676 N CA 1.738 54.771 53.050 -0.028 0.000 0.881 676 N CB -1.507 37.010 38.487 0.049 0.000 1.134 676 N HN 0.777 nan 8.380 nan 0.000 0.582 677 T N 0.857 115.196 114.554 -0.359 0.000 2.770 677 T HA 0.567 4.916 4.350 -0.001 0.000 0.283 677 T C -0.499 173.826 174.700 -0.625 0.000 0.988 677 T CA -0.351 61.550 62.100 -0.331 0.000 0.957 677 T CB 0.943 69.725 68.868 -0.144 0.000 0.930 677 T HN 0.041 nan 8.240 nan 0.000 0.443 678 Y N 1.316 121.574 120.300 -0.071 0.000 2.361 678 Y HA 0.579 5.128 4.550 -0.001 0.000 0.337 678 Y C -0.150 175.718 175.900 -0.053 0.000 0.965 678 Y CA -1.121 56.947 58.100 -0.053 0.000 1.091 678 Y CB 1.440 39.870 38.460 -0.050 0.000 1.182 678 Y HN 0.352 nan 8.280 nan 0.000 0.450 679 V N 2.775 122.725 119.914 0.059 0.000 2.667 679 V HA 0.898 5.017 4.120 -0.001 0.000 0.308 679 V C -0.422 175.692 176.094 0.033 0.000 1.048 679 V CA -0.851 61.464 62.300 0.024 0.000 0.928 679 V CB 1.699 33.515 31.823 -0.013 0.000 1.004 679 V HN 0.839 nan 8.190 nan 0.000 0.444 680 A N 3.918 126.748 122.820 0.018 0.000 2.414 680 A HA 0.648 4.967 4.320 -0.001 0.000 0.286 680 A C -0.560 177.021 177.584 -0.004 0.000 1.073 680 A CA -0.844 51.199 52.037 0.009 0.000 0.727 680 A CB 1.123 20.128 19.000 0.009 0.000 1.215 680 A HN 0.620 nan 8.150 nan 0.000 0.430 681 K N 4.094 124.490 120.400 -0.007 0.000 2.262 681 K HA 0.270 4.589 4.320 -0.001 0.000 0.288 681 K C 0.364 176.945 176.600 -0.031 0.000 1.090 681 K CA 0.047 56.327 56.287 -0.012 0.000 0.918 681 K CB 0.582 33.079 32.500 -0.005 0.000 1.139 681 K HN 0.721 nan 8.250 nan 0.000 0.462 682 I N 0.917 121.454 120.570 -0.056 0.000 2.556 682 I HA -0.173 3.996 4.170 -0.001 0.000 0.251 682 I C 0.154 176.179 176.117 -0.153 0.000 1.105 682 I CA -0.037 61.201 61.300 -0.104 0.000 1.436 682 I CB -0.114 37.806 38.000 -0.133 0.000 1.139 682 I HN 0.583 nan 8.210 nan 0.000 0.438 683 N N 3.432 122.027 118.700 -0.174 0.000 2.699 683 N HA -0.221 4.519 4.740 -0.001 0.000 0.256 683 N C -0.323 174.952 175.510 -0.390 0.000 0.993 683 N CA 1.007 53.951 53.050 -0.177 0.000 0.759 683 N CB -1.087 37.421 38.487 0.035 0.000 0.906 683 N HN 0.723 nan 8.380 nan 0.000 0.541 684 Q N -2.222 117.095 119.800 -0.805 0.000 2.687 684 Q HA 0.408 4.747 4.340 -0.001 0.000 0.295 684 Q C -1.431 174.177 176.000 -0.653 0.000 0.920 684 Q CA -1.114 54.327 55.803 -0.604 0.000 0.766 684 Q CB 1.313 29.900 28.738 -0.251 0.000 1.467 684 Q HN 0.000 nan 8.270 nan 0.000 0.415 685 K N 0.926 121.141 120.400 -0.310 0.000 2.270 685 K HA 0.428 4.747 4.320 -0.001 0.000 0.276 685 K C -0.651 175.803 176.600 -0.243 0.000 1.023 685 K CA -0.045 56.114 56.287 -0.214 0.000 0.955 685 K CB 0.648 33.114 32.500 -0.057 0.000 0.975 685 K HN 0.401 nan 8.250 nan 0.000 0.471 686 I N 3.657 124.039 120.570 -0.313 0.000 2.382 686 I HA 0.186 4.355 4.170 -0.001 0.000 0.286 686 I C 1.162 177.121 176.117 -0.263 0.000 1.002 686 I CA -0.514 60.581 61.300 -0.341 0.000 1.135 686 I CB 1.433 39.063 38.000 -0.617 0.000 1.288 686 I HN 0.559 nan 8.210 nan 0.000 0.448 687 R N 3.814 124.230 120.500 -0.139 0.000 2.096 687 R HA -0.023 4.317 4.340 -0.001 0.000 0.235 687 R C 1.450 177.733 176.300 -0.028 0.000 1.127 687 R CA 1.408 57.465 56.100 -0.071 0.000 0.968 687 R CB -0.002 30.275 30.300 -0.039 0.000 0.861 687 R HN 0.881 nan 8.270 nan 0.000 0.440 688 G N -0.148 108.654 108.800 0.003 0.000 3.079 688 G HA2 0.040 3.999 3.960 -0.001 0.000 0.157 688 G HA3 0.040 3.999 3.960 -0.001 0.000 0.157 688 G C -0.424 174.635 174.900 0.265 0.000 1.447 688 G CA -0.205 44.968 45.100 0.122 0.000 0.753 688 G HN 0.249 nan 8.290 nan 0.000 0.989 689 K N -0.550 119.973 120.400 0.205 0.000 2.578 689 K HA 0.753 5.072 4.320 -0.001 0.000 0.287 689 K C -2.000 174.712 176.600 0.187 0.000 1.010 689 K CA -0.969 55.470 56.287 0.254 0.000 0.889 689 K CB 1.451 34.024 32.500 0.121 0.000 1.514 689 K HN 0.014 nan 8.250 nan 0.000 0.424 690 I N 1.317 121.998 120.570 0.185 0.000 2.534 690 I HA 0.294 4.463 4.170 -0.001 0.000 0.288 690 I C -1.448 174.699 176.117 0.050 0.000 1.077 690 I CA -0.953 60.413 61.300 0.112 0.000 1.051 690 I CB 2.271 40.364 38.000 0.155 0.000 1.234 690 I HN 0.621 nan 8.210 nan 0.000 0.425 691 N N 5.471 124.183 118.700 0.019 0.000 2.405 691 N HA 0.680 5.419 4.740 -0.001 0.000 0.299 691 N C -1.320 174.180 175.510 -0.017 0.000 1.075 691 N CA -0.536 52.511 53.050 -0.003 0.000 0.884 691 N CB 1.737 40.219 38.487 -0.008 0.000 1.194 691 N HN 0.287 nan 8.380 nan 0.000 0.491 692 L N 1.304 122.508 121.223 -0.032 0.000 2.331 692 L HA 0.545 4.884 4.340 -0.001 0.000 0.275 692 L C 0.326 177.160 176.870 -0.060 0.000 1.022 692 L CA -0.198 54.612 54.840 -0.051 0.000 0.812 692 L CB 1.200 43.219 42.059 -0.067 0.000 1.257 692 L HN 0.583 nan 8.230 nan 0.000 0.435 693 E N 0.000 120.156 120.200 -0.073 0.000 2.725 693 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 693 E CA 0.000 56.357 56.400 -0.072 0.000 0.976 693 E CB 0.000 29.670 29.700 -0.050 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440