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 2zuw_1_C DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSDXXXXDEA VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWREAL DATA SEQUENCE EH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.592 174.600 -0.013 0.000 1.055 3 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 3 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 4 T N 1.456 116.005 114.554 -0.009 0.000 2.773 4 T HA 1.017 5.371 4.350 0.008 0.000 0.278 4 T C 0.729 175.437 174.700 0.013 0.000 1.011 4 T CA -0.105 61.991 62.100 -0.008 0.000 1.014 4 T CB 0.760 69.617 68.868 -0.018 0.000 1.293 4 T HN 2.183 nan 8.240 nan 0.000 0.554 5 G N 0.325 109.142 108.800 0.029 0.000 2.582 5 G HA2 0.025 3.990 3.960 0.008 0.000 0.222 5 G HA3 0.025 3.990 3.960 0.008 0.000 0.222 5 G C -0.249 174.711 174.900 0.099 0.000 1.311 5 G CA -0.159 44.972 45.100 0.053 0.000 0.915 5 G HN 1.188 nan 8.290 nan 0.000 0.528 6 R N -2.040 118.506 120.500 0.077 0.000 3.516 6 R HA -0.209 4.135 4.340 0.008 0.000 0.271 6 R C -0.178 176.169 176.300 0.077 0.000 1.098 6 R CA 1.482 57.633 56.100 0.086 0.000 0.732 6 R CB -1.719 28.686 30.300 0.175 0.000 1.152 6 R HN 1.329 nan 8.270 nan 0.000 0.455 7 F N -0.671 119.229 119.950 -0.084 0.000 2.607 7 F HA 0.262 4.793 4.527 0.007 0.000 0.322 7 F C -0.521 175.231 175.800 -0.079 0.000 1.176 7 F CA -0.512 57.418 58.000 -0.117 0.000 0.977 7 F CB 1.843 40.791 39.000 -0.088 0.000 1.242 7 F HN -0.156 nan 8.300 nan 0.000 0.465 8 T N 7.123 121.452 114.554 -0.374 0.000 2.749 8 T HA 0.428 4.783 4.350 0.008 0.000 0.287 8 T C -0.838 173.746 174.700 -0.194 0.000 0.970 8 T CA -0.351 61.576 62.100 -0.288 0.000 0.980 8 T CB 1.129 69.737 68.868 -0.433 0.000 0.924 8 T HN 0.509 nan 8.240 nan 0.000 0.456 9 L N 7.002 128.301 121.223 0.128 0.000 2.289 9 L HA 0.538 4.883 4.340 0.008 0.000 0.285 9 L C -2.316 174.640 176.870 0.145 0.000 1.049 9 L CA -2.011 53.026 54.840 0.327 0.000 0.804 9 L CB 0.918 43.235 42.059 0.429 0.000 1.195 9 L HN 0.304 nan 8.230 nan 0.000 0.428 10 P HA 0.215 nan 4.420 nan 0.000 0.279 10 P C -1.205 176.175 177.300 0.134 0.000 1.239 10 P CA -0.407 62.743 63.100 0.082 0.000 0.789 10 P CB 1.303 33.006 31.700 0.005 0.000 0.933 11 S N 1.606 117.362 115.700 0.094 0.000 2.713 11 S HA 0.707 5.181 4.470 0.008 0.000 0.283 11 S C -0.421 174.247 174.600 0.112 0.000 1.161 11 S CA -0.505 57.766 58.200 0.117 0.000 0.999 11 S CB 1.071 64.328 63.200 0.095 0.000 1.039 11 S HN 0.630 nan 8.310 nan 0.000 0.548 12 E N -0.656 119.627 120.200 0.139 0.000 2.388 12 E HA 0.343 4.697 4.350 0.008 0.000 0.282 12 E C -1.498 175.188 176.600 0.143 0.000 1.026 12 E CA -0.919 55.552 56.400 0.118 0.000 0.820 12 E CB 0.716 30.462 29.700 0.077 0.000 1.226 12 E HN 0.657 nan 8.360 nan 0.000 0.432 13 E N 0.966 121.234 120.200 0.112 0.000 2.404 13 E HA 0.045 4.400 4.350 0.008 0.000 0.261 13 E C -0.570 176.109 176.600 0.132 0.000 1.074 13 E CA 0.353 56.817 56.400 0.106 0.000 0.917 13 E CB 0.166 29.911 29.700 0.076 0.000 0.965 13 E HN 0.648 nan 8.360 nan 0.000 0.433 14 N N 1.134 119.908 118.700 0.124 0.000 2.714 14 N HA -0.257 4.487 4.740 0.008 0.000 0.253 14 N C -0.629 175.036 175.510 0.258 0.000 1.024 14 N CA 0.328 53.458 53.050 0.133 0.000 0.726 14 N CB -0.901 37.643 38.487 0.096 0.000 0.908 14 N HN 0.349 nan 8.380 nan 0.000 0.542 15 F N -1.161 118.795 119.950 0.010 0.000 2.779 15 F HA 0.574 5.105 4.527 0.008 0.000 0.345 15 F C 1.452 177.249 175.800 -0.005 0.000 1.270 15 F CA -0.095 57.907 58.000 0.004 0.000 1.074 15 F CB 0.007 39.019 39.000 0.020 0.000 1.268 15 F HN 0.175 nan 8.300 nan 0.000 0.508 16 A N -0.029 122.787 122.820 -0.007 0.000 1.883 16 A HA -0.160 4.165 4.320 0.008 0.000 0.217 16 A C 2.130 179.632 177.584 -0.136 0.000 1.186 16 A CA 2.201 54.212 52.037 -0.043 0.000 0.624 16 A CB -0.238 18.748 19.000 -0.024 0.000 0.822 16 A HN 0.369 nan 8.150 nan 0.000 0.444 17 E N 0.237 120.313 120.200 -0.206 0.000 2.028 17 E HA -0.143 4.212 4.350 0.008 0.000 0.191 17 E C 1.861 178.276 176.600 -0.309 0.000 0.988 17 E CA 0.984 57.252 56.400 -0.221 0.000 0.799 17 E CB -0.521 29.060 29.700 -0.198 0.000 0.755 17 E HN 0.412 nan 8.360 nan 0.000 0.447 18 K N 0.631 120.706 120.400 -0.542 0.000 2.063 18 K HA -0.101 4.223 4.320 0.008 0.000 0.208 18 K C 2.393 178.771 176.600 -0.369 0.000 1.048 18 K CA 1.833 57.755 56.287 -0.608 0.000 0.928 18 K CB -0.802 30.948 32.500 -1.250 0.000 0.713 18 K HN 0.416 nan 8.250 nan 0.000 0.442 19 T N -0.725 113.677 114.554 -0.253 0.000 2.746 19 T HA -0.174 4.181 4.350 0.008 0.000 0.267 19 T C 1.992 176.632 174.700 -0.100 0.000 1.039 19 T CA 1.654 63.722 62.100 -0.053 0.000 1.142 19 T CB -0.093 68.822 68.868 0.080 0.000 0.866 19 T HN 0.247 nan 8.240 nan 0.000 0.444 20 K N 1.012 121.341 120.400 -0.118 0.000 2.103 20 K HA -0.169 4.156 4.320 0.008 0.000 0.207 20 K C 2.501 179.011 176.600 -0.151 0.000 1.048 20 K CA 1.624 57.845 56.287 -0.110 0.000 0.930 20 K CB -0.222 32.219 32.500 -0.099 0.000 0.716 20 K HN 0.603 nan 8.250 nan 0.000 0.444 21 E N 0.616 120.698 120.200 -0.197 0.000 2.028 21 E HA -0.176 4.179 4.350 0.008 0.000 0.191 21 E C 2.130 178.544 176.600 -0.309 0.000 0.988 21 E CA 1.163 57.428 56.400 -0.224 0.000 0.799 21 E CB -0.036 29.526 29.700 -0.231 0.000 0.755 21 E HN 0.357 nan 8.360 nan 0.000 0.447 22 L N 0.410 121.391 121.223 -0.403 0.000 2.093 22 L HA -0.136 4.209 4.340 0.008 0.000 0.208 22 L C 2.708 179.256 176.870 -0.537 0.000 1.085 22 L CA 0.926 55.331 54.840 -0.724 0.000 0.755 22 L CB -0.491 41.029 42.059 -0.898 0.000 0.904 22 L HN 0.177 nan 8.230 nan 0.000 0.435 23 A N 0.143 122.816 122.820 -0.244 0.000 1.908 23 A HA -0.279 4.046 4.320 0.008 0.000 0.218 23 A C 2.196 179.706 177.584 -0.123 0.000 1.181 23 A CA 2.090 54.067 52.037 -0.099 0.000 0.627 23 A CB -0.466 18.513 19.000 -0.035 0.000 0.818 23 A HN 0.412 nan 8.150 nan 0.000 0.445 24 E N -0.536 119.574 120.200 -0.151 0.000 2.031 24 E HA -0.157 4.198 4.350 0.008 0.000 0.193 24 E C 1.794 178.309 176.600 -0.143 0.000 0.994 24 E CA 1.177 57.500 56.400 -0.128 0.000 0.800 24 E CB -0.372 29.254 29.700 -0.123 0.000 0.752 24 E HN 0.323 nan 8.360 nan 0.000 0.447 25 L N -0.305 120.786 121.223 -0.221 0.000 2.046 25 L HA -0.121 4.224 4.340 0.008 0.000 0.208 25 L C 1.661 178.496 176.870 -0.058 0.000 1.077 25 L CA 1.530 56.255 54.840 -0.192 0.000 0.747 25 L CB -0.683 41.169 42.059 -0.345 0.000 0.896 25 L HN 0.392 nan 8.230 nan 0.000 0.432 26 W N -0.357 120.765 121.300 -0.297 0.000 3.139 26 W HA 0.398 5.063 4.660 0.008 0.000 0.260 26 W C 1.555 177.713 176.519 -0.600 0.000 1.312 26 W CA 0.346 57.365 57.345 -0.543 0.000 1.606 26 W CB -1.191 27.768 29.460 -0.834 0.000 1.118 26 W HN 0.367 nan 8.180 nan 0.000 0.675 27 G N 1.071 109.778 108.800 -0.155 0.000 2.249 27 G HA2 -0.095 3.870 3.960 0.008 0.000 0.273 27 G HA3 -0.095 3.870 3.960 0.008 0.000 0.273 27 G C 0.549 175.393 174.900 -0.093 0.000 1.036 27 G CA 0.039 45.068 45.100 -0.118 0.000 0.824 27 G HN 0.449 nan 8.290 nan 0.000 0.504 28 A N 0.076 122.850 122.820 -0.076 0.000 2.477 28 A HA 0.525 4.850 4.320 0.008 0.000 0.246 28 A C 1.229 178.875 177.584 0.105 0.000 1.078 28 A CA 0.826 52.953 52.037 0.151 0.000 0.770 28 A CB 0.356 19.538 19.000 0.303 0.000 1.011 28 A HN 0.836 nan 8.150 nan 0.000 0.494 29 D N 0.173 120.645 120.400 0.120 0.000 2.500 29 D HA 0.417 5.062 4.640 0.008 0.000 0.217 29 D C 0.160 176.485 176.300 0.042 0.000 1.159 29 D CA 0.710 54.746 54.000 0.061 0.000 0.828 29 D CB 0.122 40.949 40.800 0.045 0.000 1.039 29 D HN 0.628 nan 8.370 nan 0.000 0.512 30 A N 0.299 123.130 122.820 0.019 0.000 2.454 30 A HA 0.741 5.066 4.320 0.008 0.000 0.302 30 A C -1.167 176.347 177.584 -0.116 0.000 1.079 30 A CA -0.787 51.193 52.037 -0.095 0.000 0.731 30 A CB 1.496 20.309 19.000 -0.313 0.000 1.299 30 A HN 0.138 nan 8.150 nan 0.000 0.413 31 I N 1.282 121.775 120.570 -0.129 0.000 2.498 31 I HA 0.446 4.621 4.170 0.008 0.000 0.290 31 I C -0.009 176.045 176.117 -0.105 0.000 1.032 31 I CA -0.586 60.672 61.300 -0.069 0.000 1.073 31 I CB 1.917 39.929 38.000 0.021 0.000 1.251 31 I HN 0.652 nan 8.210 nan 0.000 0.426 32 R N 4.549 124.994 120.500 -0.092 0.000 2.294 32 R HA 0.239 4.584 4.340 0.008 0.000 0.319 32 R C -0.350 175.983 176.300 0.055 0.000 0.984 32 R CA -0.644 55.447 56.100 -0.017 0.000 0.861 32 R CB 1.039 31.315 30.300 -0.041 0.000 1.104 32 R HN 0.560 nan 8.270 nan 0.000 0.451 33 N N 1.939 120.699 118.700 0.100 0.000 2.416 33 N HA -0.039 4.705 4.740 0.008 0.000 0.271 33 N C 0.134 175.699 175.510 0.092 0.000 1.245 33 N CA 0.552 53.661 53.050 0.098 0.000 0.940 33 N CB 0.891 39.449 38.487 0.118 0.000 1.175 33 N HN 0.449 nan 8.380 nan 0.000 0.483 34 S N 1.781 117.525 115.700 0.073 0.000 2.474 34 S HA -0.047 4.428 4.470 0.008 0.000 0.235 34 S C 0.494 175.147 174.600 0.087 0.000 0.997 34 S CA 0.550 58.783 58.200 0.055 0.000 0.949 34 S CB 0.094 63.303 63.200 0.015 0.000 0.766 34 S HN 0.657 nan 8.310 nan 0.000 0.517 41 E N -1.317 118.893 120.200 0.016 0.000 3.846 41 E HA -0.385 3.970 4.350 0.008 0.000 0.211 41 E C 1.597 178.200 176.600 0.005 0.000 1.174 41 E CA 2.394 58.799 56.400 0.009 0.000 2.184 41 E CB -1.923 27.782 29.700 0.008 0.000 1.798 41 E HN 0.709 nan 8.360 nan 0.000 0.356 42 A N 0.579 123.402 122.820 0.004 0.000 1.933 42 A HA -0.091 4.233 4.320 0.008 0.000 0.218 42 A C 2.395 179.978 177.584 -0.003 0.000 1.175 42 A CA 3.183 55.218 52.037 -0.004 0.000 0.628 42 A CB -0.715 18.279 19.000 -0.010 0.000 0.814 42 A HN 0.834 nan 8.150 nan 0.000 0.444 43 V N -2.365 117.555 119.914 0.009 0.000 2.453 43 V HA -0.098 4.027 4.120 0.008 0.000 0.247 43 V C 2.223 178.326 176.094 0.015 0.000 1.048 43 V CA 1.658 63.967 62.300 0.015 0.000 1.049 43 V CB -0.927 30.918 31.823 0.037 0.000 0.672 43 V HN 0.403 nan 8.190 nan 0.000 0.457 44 L N 0.856 122.088 121.223 0.016 0.000 2.131 44 L HA -0.047 4.297 4.340 0.008 0.000 0.210 44 L C 2.912 179.786 176.870 0.006 0.000 1.092 44 L CA 1.510 56.358 54.840 0.013 0.000 0.759 44 L CB -0.706 41.358 42.059 0.009 0.000 0.903 44 L HN 0.461 nan 8.230 nan 0.000 0.435 45 A N -0.320 122.500 122.820 0.001 0.000 2.172 45 A HA -0.073 4.252 4.320 0.008 0.000 0.216 45 A C 2.112 179.693 177.584 -0.005 0.000 1.154 45 A CA 0.830 52.865 52.037 -0.004 0.000 0.701 45 A CB -0.514 18.481 19.000 -0.008 0.000 0.789 45 A HN 0.413 nan 8.150 nan 0.000 0.465 46 L N -0.963 120.258 121.223 -0.003 0.000 2.376 46 L HA 0.044 4.389 4.340 0.008 0.000 0.219 46 L C 1.679 178.549 176.870 0.000 0.000 1.133 46 L CA 0.525 55.362 54.840 -0.005 0.000 0.816 46 L CB -0.667 41.390 42.059 -0.005 0.000 0.933 46 L HN 0.552 nan 8.230 nan 0.000 0.449 47 G N 0.996 109.799 108.800 0.005 0.000 2.295 47 G HA2 -0.293 3.672 3.960 0.008 0.000 0.287 47 G HA3 -0.293 3.672 3.960 0.008 0.000 0.287 47 G C 0.079 174.989 174.900 0.016 0.000 1.055 47 G CA 0.248 45.354 45.100 0.009 0.000 0.922 47 G HN 0.255 nan 8.290 nan 0.000 0.503 48 K N -0.398 120.015 120.400 0.023 0.000 2.109 48 K HA 0.563 4.888 4.320 0.008 0.000 0.243 48 K C 0.829 177.458 176.600 0.049 0.000 1.006 48 K CA -0.684 55.622 56.287 0.031 0.000 0.917 48 K CB 0.642 33.160 32.500 0.029 0.000 1.081 48 K HN 0.198 nan 8.250 nan 0.000 0.468 49 K N 1.745 122.184 120.400 0.065 0.000 2.416 49 K HA 0.088 4.413 4.320 0.008 0.000 0.283 49 K C -0.607 176.081 176.600 0.147 0.000 1.037 49 K CA -0.023 56.336 56.287 0.120 0.000 0.995 49 K CB 0.279 32.877 32.500 0.164 0.000 0.938 49 K HN 0.329 nan 8.250 nan 0.000 0.475 50 I N 5.776 126.454 120.570 0.181 0.000 2.339 50 I HA 0.151 4.326 4.170 0.008 0.000 0.290 50 I C -0.498 175.829 176.117 0.351 0.000 0.994 50 I CA -0.706 60.709 61.300 0.190 0.000 1.191 50 I CB 0.617 38.683 38.000 0.109 0.000 1.343 50 I HN 0.454 nan 8.210 nan 0.000 0.458 51 Y N 4.705 125.042 120.300 0.063 0.000 2.320 51 Y HA 0.405 4.960 4.550 0.008 0.000 0.334 51 Y C 0.627 176.564 175.900 0.062 0.000 1.055 51 Y CA -1.064 57.073 58.100 0.060 0.000 1.143 51 Y CB 0.883 39.372 38.460 0.047 0.000 1.193 51 Y HN 0.444 nan 8.280 nan 0.000 0.477 52 N N 1.295 120.122 118.700 0.212 0.000 2.296 52 N HA 0.574 5.319 4.740 0.008 0.000 0.294 52 N C -0.852 174.687 175.510 0.049 0.000 1.033 52 N CA -0.513 52.651 53.050 0.190 0.000 0.839 52 N CB 2.352 41.037 38.487 0.330 0.000 1.395 52 N HN 0.726 nan 8.380 nan 0.000 0.479 53 A N 2.089 124.867 122.820 -0.070 0.000 2.407 53 A HA 0.337 4.662 4.320 0.008 0.000 0.248 53 A C -1.068 176.101 177.584 -0.692 0.000 1.082 53 A CA 0.194 52.001 52.037 -0.383 0.000 0.785 53 A CB 0.189 18.954 19.000 -0.391 0.000 1.020 53 A HN 0.670 nan 8.150 nan 0.000 0.489 54 Y N 0.402 120.065 120.300 -1.062 0.000 2.406 54 Y HA 0.573 5.128 4.550 0.008 0.000 0.340 54 Y C -1.404 173.931 175.900 -0.942 0.000 0.975 54 Y CA -0.917 56.533 58.100 -1.082 0.000 1.056 54 Y CB 1.800 39.637 38.460 -1.038 0.000 1.210 54 Y HN 0.534 nan 8.280 nan 0.000 0.448 55 F N 7.154 126.774 119.950 -0.550 0.000 2.453 55 F HA 0.411 4.942 4.527 0.008 0.000 0.358 55 F C -2.042 173.621 175.800 -0.228 0.000 1.129 55 F CA -2.616 55.209 58.000 -0.293 0.000 1.200 55 F CB 0.869 39.718 39.000 -0.251 0.000 1.431 55 F HN 0.381 nan 8.300 nan 0.000 0.503 56 P HA -0.121 nan 4.420 nan 0.000 0.219 56 P C 1.336 178.767 177.300 0.219 0.000 1.146 56 P CA 1.480 64.712 63.100 0.220 0.000 0.808 56 P CB 0.076 31.897 31.700 0.201 0.000 0.779 57 T N -5.306 109.249 114.554 0.001 0.000 3.134 57 T HA 0.308 4.663 4.350 0.008 0.000 0.260 57 T C 0.695 174.803 174.700 -0.986 0.000 1.027 57 T CA -0.336 61.556 62.100 -0.347 0.000 0.913 57 T CB 0.390 69.162 68.868 -0.160 0.000 1.046 57 T HN -0.081 nan 8.240 nan 0.000 0.553 58 R N -0.462 119.728 120.500 -0.516 0.000 2.885 58 R HA 0.649 4.994 4.340 0.008 0.000 0.260 58 R C -0.385 175.949 176.300 0.057 0.000 1.107 58 R CA -0.290 55.625 56.100 -0.308 0.000 0.978 58 R CB 1.358 31.567 30.300 -0.152 0.000 1.227 58 R HN 0.182 nan 8.270 nan 0.000 0.473 59 A N 0.790 123.639 122.820 0.049 0.000 2.905 59 A HA -0.168 4.157 4.320 0.008 0.000 0.260 59 A C -0.583 176.872 177.584 -0.215 0.000 1.398 59 A CA 1.437 53.444 52.037 -0.050 0.000 0.840 59 A CB -1.916 17.018 19.000 -0.110 0.000 1.059 59 A HN 0.687 nan 8.150 nan 0.000 0.647 60 H N -1.010 118.347 119.070 0.478 0.000 2.823 60 H HA 0.165 4.726 4.556 0.008 0.000 0.222 60 H C 0.868 176.413 175.328 0.362 0.000 1.414 60 H CA -0.190 56.133 56.048 0.458 0.000 1.289 60 H CB -0.062 30.053 29.762 0.588 0.000 1.970 60 H HN 0.412 nan 8.280 nan 0.000 0.517 61 N N 1.142 120.030 118.700 0.315 0.000 2.192 61 N HA -0.177 4.568 4.740 0.008 0.000 0.188 61 N C 2.067 177.656 175.510 0.132 0.000 1.013 61 N CA 1.166 54.336 53.050 0.200 0.000 0.863 61 N CB 0.239 38.790 38.487 0.107 0.000 0.990 61 N HN 0.638 nan 8.380 nan 0.000 0.430 62 E N -0.093 120.209 120.200 0.170 0.000 2.265 62 E HA -0.203 4.151 4.350 0.008 0.000 0.196 62 E C 1.733 178.377 176.600 0.072 0.000 0.996 62 E CA 0.681 57.154 56.400 0.121 0.000 0.832 62 E CB -0.683 29.124 29.700 0.179 0.000 0.756 62 E HN 0.631 nan 8.360 nan 0.000 0.491 63 W N 0.998 122.181 121.300 -0.194 0.000 2.501 63 W HA -0.014 4.650 4.660 0.007 0.000 0.309 63 W C 1.930 178.295 176.519 -0.256 0.000 1.165 63 W CA 0.578 57.627 57.345 -0.493 0.000 1.381 63 W CB -0.300 28.254 29.460 -1.510 0.000 1.142 63 W HN 0.078 nan 8.180 nan 0.000 0.509 64 I N 2.419 122.817 120.570 -0.286 0.000 2.493 64 I HA -0.232 3.943 4.170 0.008 0.000 0.254 64 I C 2.564 178.556 176.117 -0.209 0.000 1.160 64 I CA 2.378 63.540 61.300 -0.230 0.000 1.445 64 I CB -0.708 37.426 38.000 0.224 0.000 1.086 64 I HN 0.065 nan 8.210 nan 0.000 0.433 65 T N -1.608 112.851 114.554 -0.159 0.000 2.897 65 T HA -0.164 4.190 4.350 0.008 0.000 0.271 65 T C 1.789 176.321 174.700 -0.281 0.000 1.084 65 T CA 1.420 63.415 62.100 -0.174 0.000 1.123 65 T CB -0.730 68.069 68.868 -0.116 0.000 0.865 65 T HN 0.405 nan 8.240 nan 0.000 0.496 66 L N -0.164 120.805 121.223 -0.424 0.000 2.446 66 L HA 0.189 4.534 4.340 0.008 0.000 0.219 66 L C 1.109 177.405 176.870 -0.956 0.000 1.116 66 L CA 0.606 55.053 54.840 -0.654 0.000 0.844 66 L CB -0.192 41.417 42.059 -0.750 0.000 0.970 66 L HN 0.431 nan 8.230 nan 0.000 0.457 67 H N -0.687 118.049 119.070 -0.556 0.000 2.716 67 H HA 0.220 4.781 4.556 0.008 0.000 0.230 67 H C 0.917 176.044 175.328 -0.335 0.000 1.401 67 H CA -0.306 55.457 56.048 -0.475 0.000 1.168 67 H CB 0.861 30.232 29.762 -0.652 0.000 1.935 67 H HN 0.101 nan 8.280 nan 0.000 0.538 68 M N 0.946 120.397 119.600 -0.249 0.000 2.446 68 M HA -0.101 4.384 4.480 0.008 0.000 0.263 68 M C 1.374 177.431 176.300 -0.405 0.000 1.066 68 M CA 1.050 56.181 55.300 -0.282 0.000 1.087 68 M CB -0.529 31.890 32.600 -0.302 0.000 1.406 68 M HN 0.417 nan 8.290 nan 0.000 0.459 69 D N -0.309 119.907 120.400 -0.306 0.000 2.363 69 D HA -0.122 4.522 4.640 0.008 0.000 0.226 69 D C 0.699 176.925 176.300 -0.124 0.000 1.020 69 D CA 0.572 54.441 54.000 -0.219 0.000 0.892 69 D CB -0.436 40.317 40.800 -0.078 0.000 0.900 69 D HN 0.442 nan 8.370 nan 0.000 0.531 70 E N 0.494 120.628 120.200 -0.110 0.000 2.501 70 E HA 0.041 4.396 4.350 0.008 0.000 0.200 70 E C 0.329 177.103 176.600 0.289 0.000 1.016 70 E CA -0.122 56.283 56.400 0.009 0.000 0.921 70 E CB 0.511 30.251 29.700 0.067 0.000 1.034 70 E HN 0.341 nan 8.360 nan 0.000 0.468 71 T N 0.241 114.913 114.554 0.196 0.000 2.900 71 T HA 0.184 4.539 4.350 0.008 0.000 0.307 71 T C -2.358 172.543 174.700 0.334 0.000 1.065 71 T CA -1.716 60.540 62.100 0.260 0.000 1.105 71 T CB 0.821 69.782 68.868 0.155 0.000 0.979 71 T HN -0.222 nan 8.240 nan 0.000 0.544 72 P HA 0.214 nan 4.420 nan 0.000 0.270 72 P C -0.566 176.852 177.300 0.195 0.000 1.223 72 P CA -0.253 63.005 63.100 0.263 0.000 0.785 72 P CB 0.367 32.200 31.700 0.223 0.000 0.923 73 Q N -0.641 119.216 119.800 0.094 0.000 2.528 73 Q HA 0.770 5.115 4.340 0.008 0.000 0.289 73 Q C -1.478 174.411 176.000 -0.185 0.000 1.091 73 Q CA -1.113 54.649 55.803 -0.068 0.000 0.797 73 Q CB 2.800 31.433 28.738 -0.174 0.000 1.466 73 Q HN 0.227 nan 8.270 nan 0.000 0.436 74 V N 0.622 120.349 119.914 -0.312 0.000 2.969 74 V HA 0.408 4.532 4.120 0.008 0.000 0.304 74 V C -1.966 173.841 176.094 -0.479 0.000 1.192 74 V CA -0.525 61.577 62.300 -0.330 0.000 0.962 74 V CB 1.682 33.387 31.823 -0.197 0.000 1.045 74 V HN 0.752 nan 8.190 nan 0.000 0.428 75 Y N 5.955 126.023 120.300 -0.387 0.000 2.402 75 Y HA 0.518 5.072 4.550 0.007 0.000 0.333 75 Y C 0.399 176.089 175.900 -0.351 0.000 1.076 75 Y CA 0.136 57.992 58.100 -0.407 0.000 1.299 75 Y CB 1.035 39.308 38.460 -0.311 0.000 1.197 75 Y HN 0.468 nan 8.280 nan 0.000 0.517 76 L N 4.997 125.911 121.223 -0.515 0.000 2.346 76 L HA 0.466 4.810 4.340 0.008 0.000 0.274 76 L C -1.082 175.583 176.870 -0.340 0.000 1.007 76 L CA -1.161 53.353 54.840 -0.544 0.000 0.818 76 L CB 1.787 43.012 42.059 -1.389 0.000 1.284 76 L HN 0.434 nan 8.230 nan 0.000 0.424 77 L N 2.170 123.473 121.223 0.132 0.000 2.307 77 L HA 0.498 4.843 4.340 0.008 0.000 0.284 77 L C 0.507 177.588 176.870 0.353 0.000 1.023 77 L CA 0.074 54.996 54.840 0.137 0.000 0.810 77 L CB 1.788 43.844 42.059 -0.005 0.000 1.231 77 L HN 0.750 nan 8.230 nan 0.000 0.423 78 T N 0.492 115.229 114.554 0.305 0.000 2.766 78 T HA 0.258 4.613 4.350 0.008 0.000 0.295 78 T C 0.168 174.943 174.700 0.124 0.000 1.024 78 T CA -0.775 61.497 62.100 0.287 0.000 1.018 78 T CB 0.299 69.289 68.868 0.203 0.000 1.002 78 T HN 0.560 nan 8.240 nan 0.000 0.532 79 D N 0.694 121.128 120.400 0.055 0.000 2.406 79 D HA 0.102 4.746 4.640 0.008 0.000 0.234 79 D C 0.415 176.739 176.300 0.041 0.000 1.196 79 D CA 0.271 54.284 54.000 0.021 0.000 0.881 79 D CB 0.321 41.120 40.800 -0.001 0.000 1.205 79 D HN 0.463 nan 8.370 nan 0.000 0.453 80 R N 0.952 121.472 120.500 0.033 0.000 2.298 80 R HA 0.305 4.649 4.340 0.008 0.000 0.310 80 R C -0.275 176.061 176.300 0.060 0.000 1.068 80 R CA -0.427 55.698 56.100 0.042 0.000 0.957 80 R CB 0.717 31.031 30.300 0.024 0.000 1.003 80 R HN 0.267 nan 8.270 nan 0.000 0.454 81 I N 4.608 125.233 120.570 0.092 0.000 2.378 81 I HA 0.161 4.336 4.170 0.008 0.000 0.291 81 I C -0.225 175.982 176.117 0.149 0.000 0.992 81 I CA -1.107 60.253 61.300 0.100 0.000 1.154 81 I CB 1.291 39.340 38.000 0.082 0.000 1.315 81 I HN 0.446 nan 8.210 nan 0.000 0.448 82 L N 6.562 127.859 121.223 0.124 0.000 2.361 82 L HA 0.506 4.851 4.340 0.008 0.000 0.278 82 L C 0.476 177.403 176.870 0.095 0.000 1.113 82 L CA 0.124 55.053 54.840 0.148 0.000 0.849 82 L CB 0.725 42.877 42.059 0.156 0.000 1.155 82 L HN 0.729 nan 8.230 nan 0.000 0.452 83 A N 4.590 127.480 122.820 0.116 0.000 2.363 83 A HA 0.424 4.748 4.320 0.008 0.000 0.270 83 A C 0.531 177.917 177.584 -0.331 0.000 1.121 83 A CA -0.312 51.689 52.037 -0.060 0.000 0.800 83 A CB 0.185 19.176 19.000 -0.015 0.000 1.052 83 A HN 0.884 nan 8.150 nan 0.000 0.493 84 E N 0.756 120.690 120.200 -0.445 0.000 2.583 84 E HA 0.146 4.501 4.350 0.008 0.000 0.213 84 E C 0.097 176.310 176.600 -0.645 0.000 0.989 84 E CA 0.553 56.446 56.400 -0.845 0.000 0.991 84 E CB 0.395 29.808 29.700 -0.479 0.000 1.040 84 E HN 0.787 nan 8.360 nan 0.000 0.481 85 S N 0.173 115.623 115.700 -0.418 0.000 3.003 85 S HA 0.075 4.549 4.470 0.008 0.000 0.313 85 S C -0.251 174.217 174.600 -0.219 0.000 1.230 85 S CA -0.552 57.486 58.200 -0.270 0.000 0.977 85 S CB 0.606 63.708 63.200 -0.164 0.000 1.340 85 S HN 0.011 nan 8.310 nan 0.000 0.608 86 D N 1.220 121.531 120.400 -0.148 0.000 2.319 86 D HA 0.183 4.828 4.640 0.008 0.000 0.230 86 D C 0.628 176.849 176.300 -0.131 0.000 1.094 86 D CA 0.491 54.413 54.000 -0.130 0.000 0.856 86 D CB -0.558 40.191 40.800 -0.084 0.000 0.915 86 D HN 0.739 nan 8.370 nan 0.000 0.517 87 T N -3.422 111.049 114.554 -0.138 0.000 2.906 87 T HA 0.653 5.008 4.350 0.008 0.000 0.295 87 T C -0.775 173.841 174.700 -0.141 0.000 1.061 87 T CA -0.984 61.044 62.100 -0.120 0.000 1.000 87 T CB 2.351 71.181 68.868 -0.064 0.000 1.103 87 T HN -0.009 nan 8.240 nan 0.000 0.486 88 V N 0.841 120.680 119.914 -0.126 0.000 3.000 88 V HA 0.466 4.591 4.120 0.008 0.000 0.300 88 V C -2.009 174.061 176.094 -0.040 0.000 1.251 88 V CA -0.764 61.472 62.300 -0.107 0.000 0.972 88 V CB 2.321 34.031 31.823 -0.189 0.000 1.065 88 V HN 1.102 nan 8.190 nan 0.000 0.431 89 D N 5.566 125.966 120.400 0.001 0.000 2.193 89 D HA 0.567 5.211 4.640 0.008 0.000 0.244 89 D C -0.501 175.779 176.300 -0.033 0.000 1.064 89 D CA 0.183 54.186 54.000 0.005 0.000 0.845 89 D CB 2.173 43.012 40.800 0.064 0.000 1.148 89 D HN 0.493 nan 8.370 nan 0.000 0.464 90 I N 3.700 124.225 120.570 -0.075 0.000 2.382 90 I HA 0.216 4.390 4.170 0.008 0.000 0.285 90 I C -2.373 173.692 176.117 -0.086 0.000 1.007 90 I CA -2.087 59.179 61.300 -0.058 0.000 1.142 90 I CB 2.002 39.969 38.000 -0.054 0.000 1.289 90 I HN -0.056 nan 8.210 nan 0.000 0.453 91 P HA 0.203 nan 4.420 nan 0.000 0.275 91 P C 0.453 177.713 177.300 -0.066 0.000 1.227 91 P CA -0.235 62.830 63.100 -0.058 0.000 0.781 91 P CB 1.187 32.880 31.700 -0.012 0.000 0.906 92 L N 1.321 122.455 121.223 -0.147 0.000 2.168 92 L HA 0.097 4.442 4.340 0.008 0.000 0.203 92 L C 1.775 178.689 176.870 0.072 0.000 1.078 92 L CA 1.267 55.921 54.840 -0.309 0.000 0.780 92 L CB -0.332 41.217 42.059 -0.850 0.000 0.939 92 L HN 0.338 nan 8.230 nan 0.000 0.451 93 M N -1.120 118.545 119.600 0.108 0.000 2.313 93 M HA 0.092 4.577 4.480 0.008 0.000 0.273 93 M C 1.481 177.919 176.300 0.230 0.000 1.049 93 M CA 0.390 55.861 55.300 0.284 0.000 1.004 93 M CB 0.296 33.009 32.600 0.188 0.000 1.461 93 M HN 0.174 nan 8.290 nan 0.000 0.514 94 E N 0.832 121.108 120.200 0.127 0.000 2.160 94 E HA -0.145 4.210 4.350 0.008 0.000 0.195 94 E C 1.630 178.244 176.600 0.023 0.000 0.991 94 E CA 1.728 58.169 56.400 0.068 0.000 0.810 94 E CB 0.173 29.893 29.700 0.034 0.000 0.742 94 E HN 0.466 nan 8.360 nan 0.000 0.466 95 S N -0.671 114.987 115.700 -0.069 0.000 2.540 95 S HA 0.122 4.596 4.470 0.008 0.000 0.218 95 S C 0.240 174.596 174.600 -0.407 0.000 0.977 95 S CA -0.431 57.594 58.200 -0.291 0.000 0.918 95 S CB 0.131 63.052 63.200 -0.465 0.000 0.806 95 S HN -0.051 nan 8.310 nan 0.000 0.496 96 F N 0.911 120.950 119.950 0.149 0.000 2.575 96 F HA 0.574 5.106 4.527 0.008 0.000 0.330 96 F C -0.152 175.814 175.800 0.277 0.000 1.056 96 F CA -1.995 56.119 58.000 0.190 0.000 0.964 96 F CB 0.660 39.772 39.000 0.186 0.000 1.258 96 F HN 0.020 nan 8.300 nan 0.000 0.484 97 F N 2.063 122.214 119.950 0.336 0.000 2.466 97 F HA 0.409 4.942 4.527 0.009 0.000 0.363 97 F C 0.912 176.851 175.800 0.232 0.000 1.109 97 F CA -1.451 56.699 58.000 0.249 0.000 1.161 97 F CB 0.490 39.643 39.000 0.254 0.000 1.117 97 F HN 0.541 nan 8.300 nan 0.000 0.539 98 A N 4.885 127.841 122.820 0.226 0.000 2.167 98 A HA -0.024 4.301 4.320 0.008 0.000 0.214 98 A C 1.835 179.329 177.584 -0.150 0.000 1.151 98 A CA 0.769 52.840 52.037 0.058 0.000 0.735 98 A CB -0.406 18.659 19.000 0.108 0.000 0.802 98 A HN 0.697 nan 8.150 nan 0.000 0.467 99 E N -0.551 119.311 120.200 -0.563 0.000 2.358 99 E HA -0.136 4.219 4.350 0.008 0.000 0.195 99 E C 1.782 178.216 176.600 -0.277 0.000 1.010 99 E CA 0.844 56.922 56.400 -0.537 0.000 0.856 99 E CB -0.003 29.229 29.700 -0.780 0.000 0.795 99 E HN 0.868 nan 8.360 nan 0.000 0.504 100 Q N -0.253 119.360 119.800 -0.312 0.000 2.442 100 Q HA 0.141 4.486 4.340 0.008 0.000 0.228 100 Q C 0.077 176.099 176.000 0.037 0.000 0.902 100 Q CA 0.214 56.009 55.803 -0.013 0.000 0.933 100 Q CB 0.699 29.455 28.738 0.030 0.000 1.071 100 Q HN 0.090 nan 8.270 nan 0.000 0.562 101 L N 0.887 122.129 121.223 0.032 0.000 2.370 101 L HA 0.558 4.902 4.340 0.008 0.000 0.266 101 L C -0.912 176.007 176.870 0.081 0.000 1.002 101 L CA -0.725 54.143 54.840 0.047 0.000 0.818 101 L CB 2.267 44.322 42.059 -0.007 0.000 1.325 101 L HN -0.182 nan 8.230 nan 0.000 0.418 102 K N 2.870 123.337 120.400 0.112 0.000 2.581 102 K HA 0.490 4.815 4.320 0.008 0.000 0.249 102 K C -2.801 173.909 176.600 0.184 0.000 0.966 102 K CA -1.580 54.800 56.287 0.155 0.000 0.811 102 K CB 2.487 35.094 32.500 0.179 0.000 1.223 102 K HN 0.113 nan 8.250 nan 0.000 0.438 103 P HA -0.040 nan 4.420 nan 0.000 0.266 103 P C -1.088 176.329 177.300 0.195 0.000 1.195 103 P CA -0.203 63.017 63.100 0.201 0.000 0.768 103 P CB 0.424 32.161 31.700 0.062 0.000 0.838 104 N N 2.955 121.716 118.700 0.102 0.000 2.415 104 N HA 0.065 4.809 4.740 0.008 0.000 0.246 104 N C 0.484 176.114 175.510 0.199 0.000 1.078 104 N CA 0.037 53.023 53.050 -0.107 0.000 0.942 104 N CB -0.013 38.102 38.487 -0.620 0.000 1.140 104 N HN 0.218 nan 8.380 nan 0.000 0.501 105 R N 1.910 122.529 120.500 0.199 0.000 2.317 105 R HA 0.108 4.453 4.340 0.008 0.000 0.208 105 R C 0.118 176.462 176.300 0.074 0.000 0.914 105 R CA 0.071 56.248 56.100 0.129 0.000 1.060 105 R CB 0.589 30.961 30.300 0.120 0.000 1.015 105 R HN 0.541 nan 8.270 nan 0.000 0.498 106 D N 1.147 121.610 120.400 0.105 0.000 2.162 106 D HA 0.008 4.652 4.640 0.008 0.000 0.205 106 D C 0.484 176.804 176.300 0.032 0.000 0.964 106 D CA 0.590 54.640 54.000 0.083 0.000 0.847 106 D CB 0.221 41.110 40.800 0.149 0.000 0.988 106 D HN 0.101 nan 8.370 nan 0.000 0.480 107 A N 1.452 124.261 122.820 -0.018 0.000 2.320 107 A HA 0.104 4.428 4.320 0.008 0.000 0.287 107 A C -0.124 177.485 177.584 0.042 0.000 1.181 107 A CA -0.420 51.579 52.037 -0.063 0.000 0.831 107 A CB 0.530 19.297 19.000 -0.388 0.000 1.102 107 A HN -0.129 nan 8.150 nan 0.000 0.513 108 D N 3.763 124.265 120.400 0.170 0.000 2.659 108 D HA -0.015 4.630 4.640 0.008 0.000 0.264 108 D C -1.425 174.864 176.300 -0.019 0.000 1.329 108 D CA -0.869 53.188 54.000 0.094 0.000 0.963 108 D CB 0.583 41.461 40.800 0.131 0.000 1.136 108 D HN 0.199 nan 8.370 nan 0.000 0.554 109 P HA -0.153 nan 4.420 nan 0.000 0.216 109 P C 0.621 177.730 177.300 -0.319 0.000 1.150 109 P CA 1.326 63.851 63.100 -0.958 0.000 0.843 109 P CB 0.076 30.973 31.700 -1.340 0.000 0.787 110 H N -1.663 117.295 119.070 -0.188 0.000 2.524 110 H HA 0.010 4.571 4.556 0.008 0.000 0.282 110 H C 1.994 177.296 175.328 -0.044 0.000 1.016 110 H CA 1.037 56.977 56.048 -0.179 0.000 1.270 110 H CB -0.043 29.496 29.762 -0.373 0.000 1.394 110 H HN 0.100 nan 8.280 nan 0.000 0.568 111 K N -0.269 120.136 120.400 0.008 0.000 2.211 111 K HA -0.048 4.276 4.320 0.008 0.000 0.201 111 K C 0.479 176.961 176.600 -0.198 0.000 1.052 111 K CA 0.840 57.022 56.287 -0.176 0.000 0.973 111 K CB 0.355 32.605 32.500 -0.416 0.000 0.766 111 K HN 0.279 nan 8.250 nan 0.000 0.466 112 Y N -1.499 118.926 120.300 0.210 0.000 2.445 112 Y HA 0.168 4.722 4.550 0.008 0.000 0.247 112 Y C 0.045 176.360 175.900 0.691 0.000 1.129 112 Y CA -0.652 57.674 58.100 0.378 0.000 1.251 112 Y CB 0.553 39.205 38.460 0.320 0.000 1.176 112 Y HN 0.011 nan 8.280 nan 0.000 0.522 113 W N 0.539 122.073 121.300 0.391 0.000 2.671 113 W HA 0.635 5.301 4.660 0.009 0.000 0.360 113 W C -0.471 176.184 176.519 0.227 0.000 1.128 113 W CA -1.916 55.620 57.345 0.319 0.000 1.184 113 W CB 0.634 30.253 29.460 0.265 0.000 1.415 113 W HN -0.320 nan 8.180 nan 0.000 0.604 114 E N 0.381 120.761 120.200 0.299 0.000 2.290 114 E HA 0.492 4.847 4.350 0.008 0.000 0.274 114 E C -1.779 174.798 176.600 -0.039 0.000 0.889 114 E CA -0.479 56.015 56.400 0.157 0.000 0.760 114 E CB 2.450 32.189 29.700 0.064 0.000 1.206 114 E HN 0.125 nan 8.360 nan 0.000 0.419 115 V N 3.887 123.739 119.914 -0.103 0.000 2.435 115 V HA 0.467 4.591 4.120 0.008 0.000 0.290 115 V C -0.478 175.632 176.094 0.027 0.000 1.030 115 V CA -0.641 61.547 62.300 -0.186 0.000 0.881 115 V CB 1.646 33.186 31.823 -0.471 0.000 0.983 115 V HN 0.455 nan 8.190 nan 0.000 0.445 116 V N 3.295 123.240 119.914 0.051 0.000 2.531 116 V HA 0.335 4.459 4.120 0.008 0.000 0.301 116 V C -0.413 175.696 176.094 0.026 0.000 1.034 116 V CA -0.709 61.620 62.300 0.048 0.000 0.865 116 V CB 2.047 33.862 31.823 -0.013 0.000 0.995 116 V HN 0.909 nan 8.190 nan 0.000 0.424 117 D N 4.626 125.012 120.400 -0.023 0.000 2.348 117 D HA 0.102 4.747 4.640 0.008 0.000 0.259 117 D C 1.295 177.448 176.300 -0.246 0.000 1.296 117 D CA -0.076 53.703 54.000 -0.368 0.000 0.931 117 D CB 0.744 41.459 40.800 -0.142 0.000 1.067 117 D HN 0.327 nan 8.370 nan 0.000 0.503 118 R N 2.246 122.584 120.500 -0.271 0.000 2.148 118 R HA -0.050 4.294 4.340 0.008 0.000 0.223 118 R C 1.677 177.877 176.300 -0.166 0.000 1.088 118 R CA 0.678 56.681 56.100 -0.162 0.000 0.985 118 R CB -0.585 29.644 30.300 -0.119 0.000 0.880 118 R HN 0.444 nan 8.270 nan 0.000 0.451 119 T N 0.413 114.824 114.554 -0.239 0.000 2.759 119 T HA -0.123 4.231 4.350 0.008 0.000 0.269 119 T C 1.839 176.405 174.700 -0.223 0.000 1.042 119 T CA 2.113 64.045 62.100 -0.280 0.000 1.140 119 T CB -0.141 68.406 68.868 -0.535 0.000 0.864 119 T HN 0.503 nan 8.240 nan 0.000 0.455 120 T N -2.320 112.144 114.554 -0.151 0.000 2.990 120 T HA 0.464 4.819 4.350 0.008 0.000 0.250 120 T C 1.885 176.560 174.700 -0.041 0.000 1.041 120 T CA 0.851 62.913 62.100 -0.063 0.000 1.010 120 T CB 0.249 69.132 68.868 0.026 0.000 1.003 120 T HN 0.492 nan 8.240 nan 0.000 0.499 121 G N 1.435 110.202 108.800 -0.055 0.000 2.205 121 G HA2 -0.215 3.750 3.960 0.008 0.000 0.261 121 G HA3 -0.215 3.750 3.960 0.008 0.000 0.261 121 G C -0.120 174.773 174.900 -0.013 0.000 0.980 121 G CA 0.058 45.134 45.100 -0.039 0.000 0.632 121 G HN 0.589 nan 8.290 nan 0.000 0.533 122 E N 0.474 120.680 120.200 0.010 0.000 2.338 122 E HA 0.428 4.783 4.350 0.008 0.000 0.272 122 E C 0.673 177.312 176.600 0.065 0.000 1.029 122 E CA -0.426 56.000 56.400 0.043 0.000 0.872 122 E CB 1.687 31.427 29.700 0.067 0.000 1.015 122 E HN 0.188 nan 8.360 nan 0.000 0.417 123 V N 3.440 123.398 119.914 0.074 0.000 2.508 123 V HA -0.004 4.121 4.120 0.008 0.000 0.281 123 V C 0.469 176.656 176.094 0.156 0.000 1.041 123 V CA -0.414 61.950 62.300 0.106 0.000 1.016 123 V CB 1.063 32.945 31.823 0.099 0.000 0.984 123 V HN 0.361 nan 8.190 nan 0.000 0.478 124 V N 4.732 124.771 119.914 0.208 0.000 2.521 124 V HA 0.035 4.159 4.120 0.008 0.000 0.286 124 V C 0.623 176.907 176.094 0.316 0.000 1.034 124 V CA -0.271 62.186 62.300 0.262 0.000 1.045 124 V CB 0.866 32.868 31.823 0.298 0.000 0.974 124 V HN 0.984 nan 8.190 nan 0.000 0.480 125 D N 4.121 124.658 120.400 0.228 0.000 2.571 125 D HA -0.076 4.569 4.640 0.008 0.000 0.231 125 D C 1.472 177.895 176.300 0.205 0.000 1.133 125 D CA 0.915 55.021 54.000 0.177 0.000 0.862 125 D CB 1.083 41.939 40.800 0.095 0.000 1.179 125 D HN 0.699 nan 8.370 nan 0.000 0.474 126 S N 2.683 118.448 115.700 0.109 0.000 2.469 126 S HA -0.138 4.336 4.470 0.008 0.000 0.238 126 S C 1.835 176.205 174.600 -0.385 0.000 0.998 126 S CA 0.601 58.685 58.200 -0.193 0.000 0.957 126 S CB -0.207 62.951 63.200 -0.070 0.000 0.764 126 S HN 0.528 nan 8.310 nan 0.000 0.514 127 A N 2.101 124.806 122.820 -0.192 0.000 2.168 127 A HA 0.105 4.430 4.320 0.008 0.000 0.215 127 A C 1.825 179.354 177.584 -0.092 0.000 1.152 127 A CA 0.815 52.741 52.037 -0.185 0.000 0.716 127 A CB -0.622 18.310 19.000 -0.113 0.000 0.794 127 A HN 0.725 nan 8.150 nan 0.000 0.465 128 N N -0.579 118.124 118.700 0.004 0.000 2.280 128 N HA 0.100 4.845 4.740 0.008 0.000 0.192 128 N C -0.285 175.368 175.510 0.239 0.000 1.109 128 N CA -0.102 53.012 53.050 0.108 0.000 0.855 128 N CB 0.259 38.833 38.487 0.145 0.000 0.974 128 N HN 0.842 nan 8.380 nan 0.000 0.482 129 W N 0.718 122.090 121.300 0.120 0.000 3.107 129 W HA 0.476 5.141 4.660 0.008 0.000 0.331 129 W C -1.189 175.470 176.519 0.234 0.000 1.204 129 W CA -0.860 56.571 57.345 0.143 0.000 1.184 129 W CB 0.563 30.092 29.460 0.115 0.000 1.421 129 W HN -0.278 nan 8.180 nan 0.000 0.544 130 T N 0.430 115.295 114.554 0.519 0.000 2.912 130 T HA 0.487 4.842 4.350 0.008 0.000 0.299 130 T C -1.427 173.528 174.700 0.425 0.000 1.052 130 T CA -0.759 61.570 62.100 0.382 0.000 0.996 130 T CB 2.152 71.157 68.868 0.229 0.000 1.070 130 T HN 0.603 nan 8.240 nan 0.000 0.465 131 L N 2.847 124.259 121.223 0.315 0.000 2.319 131 L HA 0.386 4.730 4.340 0.008 0.000 0.280 131 L C 0.375 177.341 176.870 0.160 0.000 1.099 131 L CA 0.040 55.004 54.840 0.206 0.000 0.828 131 L CB 0.351 42.473 42.059 0.106 0.000 1.150 131 L HN 0.835 nan 8.230 nan 0.000 0.442 132 D N 3.777 124.252 120.400 0.126 0.000 2.493 132 D HA -0.011 4.634 4.640 0.008 0.000 0.240 132 D C 0.827 177.192 176.300 0.108 0.000 1.142 132 D CA 0.645 54.744 54.000 0.166 0.000 0.872 132 D CB 1.673 42.568 40.800 0.160 0.000 1.173 132 D HN 0.857 nan 8.370 nan 0.000 0.467 133 A N 4.174 127.053 122.820 0.099 0.000 2.019 133 A HA -0.167 4.157 4.320 0.008 0.000 0.219 133 A C 1.447 179.066 177.584 0.058 0.000 1.164 133 A CA 1.268 53.344 52.037 0.066 0.000 0.644 133 A CB 0.162 19.192 19.000 0.051 0.000 0.805 133 A HN 0.613 nan 8.150 nan 0.000 0.449 134 D N -1.091 119.348 120.400 0.066 0.000 2.455 134 D HA 0.099 4.744 4.640 0.008 0.000 0.228 134 D C 0.555 176.886 176.300 0.050 0.000 1.070 134 D CA 0.690 54.722 54.000 0.053 0.000 0.881 134 D CB 0.325 41.156 40.800 0.050 0.000 1.087 134 D HN 0.847 nan 8.370 nan 0.000 0.498 135 E N 0.134 120.367 120.200 0.055 0.000 2.433 135 E HA 0.322 4.676 4.350 0.008 0.000 0.273 135 E C -1.221 175.391 176.600 0.019 0.000 0.950 135 E CA -0.779 55.644 56.400 0.038 0.000 0.796 135 E CB 1.299 31.022 29.700 0.039 0.000 1.330 135 E HN -0.366 nan 8.360 nan 0.000 0.455 136 D N 1.625 122.024 120.400 -0.001 0.000 2.608 136 D HA 0.204 4.848 4.640 0.008 0.000 0.224 136 D C -0.906 175.339 176.300 -0.092 0.000 1.123 136 D CA 0.315 54.290 54.000 -0.043 0.000 1.030 136 D CB 0.222 40.988 40.800 -0.057 0.000 1.093 136 D HN 0.281 nan 8.370 nan 0.000 0.497 137 T N -0.254 114.238 114.554 -0.103 0.000 2.952 137 T HA 0.297 4.651 4.350 0.008 0.000 0.305 137 T C -0.154 174.385 174.700 -0.268 0.000 1.064 137 T CA -0.570 61.413 62.100 -0.194 0.000 1.008 137 T CB 2.380 71.113 68.868 -0.225 0.000 1.078 137 T HN -0.173 nan 8.240 nan 0.000 0.459 138 V N 4.513 124.286 119.914 -0.235 0.000 2.394 138 V HA 0.345 4.470 4.120 0.008 0.000 0.282 138 V C -0.253 175.713 176.094 -0.215 0.000 1.031 138 V CA -0.801 61.411 62.300 -0.146 0.000 0.881 138 V CB 0.816 32.581 31.823 -0.095 0.000 0.982 138 V HN 0.822 nan 8.190 nan 0.000 0.451 139 H N 3.868 123.012 119.070 0.124 0.000 2.517 139 H HA 0.536 5.097 4.556 0.008 0.000 0.317 139 H C -0.540 174.862 175.328 0.124 0.000 1.080 139 H CA -0.351 55.748 56.048 0.084 0.000 1.301 139 H CB 1.806 31.612 29.762 0.073 0.000 1.425 139 H HN 0.385 nan 8.280 nan 0.000 0.471 140 V N 2.817 122.814 119.914 0.139 0.000 2.628 140 V HA 0.391 4.516 4.120 0.008 0.000 0.306 140 V C 0.291 176.396 176.094 0.019 0.000 1.045 140 V CA -0.793 61.562 62.300 0.092 0.000 0.905 140 V CB 1.730 33.512 31.823 -0.069 0.000 0.997 140 V HN 0.915 nan 8.190 nan 0.000 0.436 141 S N 1.333 117.055 115.700 0.036 0.000 2.634 141 S HA 0.815 5.289 4.470 0.008 0.000 0.296 141 S C 0.672 175.261 174.600 -0.018 0.000 1.104 141 S CA -0.058 58.137 58.200 -0.008 0.000 0.920 141 S CB 1.716 64.922 63.200 0.011 0.000 1.111 141 S HN 2.350 nan 8.310 nan 0.000 0.493 142 G N -0.311 108.469 108.800 -0.034 0.000 2.153 142 G HA2 -0.219 3.746 3.960 0.008 0.000 0.252 142 G HA3 -0.219 3.746 3.960 0.008 0.000 0.252 142 G C 0.208 175.087 174.900 -0.036 0.000 0.994 142 G CA 0.324 45.410 45.100 -0.024 0.000 0.698 142 G HN 1.907 nan 8.290 nan 0.000 0.521 143 V N -2.355 117.501 119.914 -0.097 0.000 3.295 143 V HA 0.896 5.021 4.120 0.008 0.000 0.308 143 V C 0.837 176.876 176.094 -0.092 0.000 1.068 143 V CA -0.450 61.781 62.300 -0.115 0.000 1.062 143 V CB 1.480 33.032 31.823 -0.450 0.000 1.162 143 V HN 1.713 nan 8.190 nan 0.000 0.456 144 A N 1.427 124.206 122.820 -0.068 0.000 2.301 144 A HA 0.797 5.121 4.320 0.008 0.000 0.298 144 A C 0.553 178.000 177.584 -0.228 0.000 1.185 144 A CA -0.059 51.813 52.037 -0.275 0.000 0.830 144 A CB 0.042 18.579 19.000 -0.773 0.000 1.112 144 A HN 2.053 nan 8.150 nan 0.000 0.508 145 A N 1.580 124.268 122.820 -0.221 0.000 2.483 145 A HA 0.430 4.754 4.320 0.008 0.000 0.238 145 A C 0.228 177.699 177.584 -0.189 0.000 1.070 145 A CA 0.721 52.523 52.037 -0.393 0.000 0.770 145 A CB -0.848 17.795 19.000 -0.596 0.000 1.008 145 A HN 1.665 nan 8.150 nan 0.000 0.497 146 W N -1.512 119.892 121.300 0.174 0.000 2.279 146 W HA -0.190 4.475 4.660 0.007 0.000 0.275 146 W C 0.397 177.104 176.519 0.314 0.000 1.083 146 W CA 0.748 58.217 57.345 0.206 0.000 0.504 146 W CB -2.296 27.260 29.460 0.160 0.000 2.112 146 W HN 0.879 nan 8.180 nan 0.000 1.261 147 H N 0.386 119.577 119.070 0.203 0.000 2.525 147 H HA 0.453 5.013 4.556 0.008 0.000 0.340 147 H C 0.282 175.620 175.328 0.018 0.000 1.168 147 H CA -0.905 55.173 56.048 0.050 0.000 1.247 147 H CB 1.145 30.855 29.762 -0.087 0.000 1.568 147 H HN -0.047 nan 8.280 nan 0.000 0.536 148 E N 1.419 121.587 120.200 -0.052 0.000 2.191 148 E HA 0.246 4.600 4.350 0.008 0.000 0.278 148 E C -1.232 175.194 176.600 -0.289 0.000 0.972 148 E CA -0.418 55.957 56.400 -0.041 0.000 0.804 148 E CB 1.457 31.142 29.700 -0.024 0.000 1.110 148 E HN 0.380 nan 8.360 nan 0.000 0.394 149 Y N 0.316 120.639 120.300 0.038 0.000 2.499 149 Y HA 0.409 4.963 4.550 0.008 0.000 0.347 149 Y C 0.357 176.253 175.900 -0.006 0.000 0.987 149 Y CA -0.704 57.405 58.100 0.015 0.000 1.044 149 Y CB 2.361 40.824 38.460 0.006 0.000 1.245 149 Y HN 0.466 nan 8.280 nan 0.000 0.461 150 T N -1.396 113.225 114.554 0.112 0.000 2.883 150 T HA 0.803 5.158 4.350 0.008 0.000 0.296 150 T C -1.406 173.300 174.700 0.009 0.000 1.117 150 T CA -0.883 61.250 62.100 0.055 0.000 1.006 150 T CB 1.432 70.315 68.868 0.025 0.000 1.191 150 T HN 0.330 nan 8.240 nan 0.000 0.508 151 V N 1.558 121.474 119.914 0.003 0.000 2.581 151 V HA 0.641 4.765 4.120 0.008 0.000 0.303 151 V C -0.131 175.991 176.094 0.047 0.000 1.041 151 V CA -0.794 61.479 62.300 -0.045 0.000 0.907 151 V CB 1.998 33.751 31.823 -0.117 0.000 0.994 151 V HN 1.089 nan 8.190 nan 0.000 0.442 152 S N 5.183 120.869 115.700 -0.023 0.000 2.474 152 S HA 0.773 5.248 4.470 0.008 0.000 0.321 152 S C -0.675 173.868 174.600 -0.096 0.000 1.080 152 S CA -0.464 57.693 58.200 -0.072 0.000 1.106 152 S CB 0.467 63.581 63.200 -0.144 0.000 0.984 152 S HN 0.610 nan 8.310 nan 0.000 0.464 153 F N 0.487 120.173 119.950 -0.440 0.000 2.603 153 F HA 0.716 5.247 4.527 0.008 0.000 0.317 153 F C -1.082 174.294 175.800 -0.707 0.000 1.066 153 F CA -1.599 55.692 58.000 -1.181 0.000 0.941 153 F CB 0.776 38.569 39.000 -2.011 0.000 1.291 153 F HN 0.220 nan 8.300 nan 0.000 0.472 154 L N 2.763 123.611 121.223 -0.625 0.000 2.367 154 L HA 0.651 4.996 4.340 0.008 0.000 0.275 154 L C 0.077 176.733 176.870 -0.357 0.000 1.129 154 L CA -0.562 53.939 54.840 -0.565 0.000 0.839 154 L CB 1.137 42.969 42.059 -0.378 0.000 1.133 154 L HN 0.946 nan 8.230 nan 0.000 0.453 155 A N 3.502 126.051 122.820 -0.452 0.000 2.386 155 A HA 0.642 4.967 4.320 0.008 0.000 0.311 155 A C -1.330 176.110 177.584 -0.241 0.000 1.068 155 A CA -0.509 51.368 52.037 -0.267 0.000 0.743 155 A CB 0.820 19.645 19.000 -0.292 0.000 1.258 155 A HN 0.488 nan 8.150 nan 0.000 0.429 156 Y N 0.972 121.251 120.300 -0.035 0.000 2.346 156 Y HA 0.360 4.915 4.550 0.008 0.000 0.330 156 Y C 0.541 176.430 175.900 -0.018 0.000 1.178 156 Y CA 0.018 58.108 58.100 -0.017 0.000 1.331 156 Y CB 0.742 39.210 38.460 0.013 0.000 1.253 156 Y HN 0.442 nan 8.280 nan 0.000 0.529 157 I N 5.743 126.421 120.570 0.180 0.000 2.287 157 I HA 0.137 4.311 4.170 0.008 0.000 0.290 157 I C 0.992 177.187 176.117 0.130 0.000 1.069 157 I CA -0.028 61.338 61.300 0.109 0.000 1.237 157 I CB 0.429 38.473 38.000 0.072 0.000 1.418 157 I HN 0.666 nan 8.210 nan 0.000 0.481 158 I N 2.873 123.515 120.570 0.120 0.000 3.793 158 I HA 0.236 4.410 4.170 0.008 0.000 0.315 158 I C -0.151 176.063 176.117 0.161 0.000 1.275 158 I CA 0.221 61.581 61.300 0.100 0.000 1.214 158 I CB 0.257 38.283 38.000 0.044 0.000 1.018 158 I HN 0.447 nan 8.210 nan 0.000 0.439 159 W N 2.761 124.028 121.300 -0.055 0.000 3.042 159 W HA 0.360 5.026 4.660 0.009 0.000 0.337 159 W C -1.234 175.228 176.519 -0.095 0.000 1.086 159 W CA -1.901 55.393 57.345 -0.086 0.000 1.236 159 W CB 1.247 30.598 29.460 -0.182 0.000 1.381 159 W HN 0.009 nan 8.180 nan 0.000 0.472 160 D N 6.778 127.321 120.400 0.240 0.000 2.451 160 D HA 0.075 4.719 4.640 0.008 0.000 0.254 160 D C -1.420 174.751 176.300 -0.214 0.000 1.204 160 D CA -0.396 53.602 54.000 -0.004 0.000 0.896 160 D CB 1.732 42.531 40.800 -0.002 0.000 1.136 160 D HN 0.010 nan 8.370 nan 0.000 0.499 161 P HA -0.191 nan 4.420 nan 0.000 0.216 161 P C 1.300 178.396 177.300 -0.340 0.000 1.150 161 P CA 0.585 63.494 63.100 -0.317 0.000 0.843 161 P CB 0.240 31.792 31.700 -0.246 0.000 0.787 162 V N -0.201 119.563 119.914 -0.251 0.000 2.346 162 V HA -0.173 3.952 4.120 0.008 0.000 0.244 162 V C 2.479 178.477 176.094 -0.161 0.000 1.037 162 V CA 1.548 63.743 62.300 -0.175 0.000 1.029 162 V CB -0.997 30.754 31.823 -0.120 0.000 0.663 162 V HN 0.144 nan 8.190 nan 0.000 0.454 163 E N -0.006 120.094 120.200 -0.166 0.000 2.070 163 E HA -0.295 4.060 4.350 0.008 0.000 0.197 163 E C 2.211 178.658 176.600 -0.254 0.000 1.004 163 E CA 2.090 58.448 56.400 -0.069 0.000 0.805 163 E CB -0.197 29.560 29.700 0.095 0.000 0.744 163 E HN 0.549 nan 8.360 nan 0.000 0.451 164 M N -0.228 118.922 119.600 -0.750 0.000 2.065 164 M HA -0.249 4.236 4.480 0.008 0.000 0.259 164 M C 2.365 178.136 176.300 -0.882 0.000 1.069 164 M CA 1.824 56.239 55.300 -1.475 0.000 1.110 164 M CB -0.499 30.922 32.600 -1.964 0.000 1.328 164 M HN 0.167 nan 8.290 nan 0.000 0.405 165 Y N 1.226 121.077 120.300 -0.748 0.000 2.128 165 Y HA -0.314 4.240 4.550 0.006 0.000 0.284 165 Y C 1.690 177.335 175.900 -0.425 0.000 1.154 165 Y CA 2.654 60.450 58.100 -0.507 0.000 1.149 165 Y CB -0.767 37.524 38.460 -0.280 0.000 0.976 165 Y HN 0.440 nan 8.280 nan 0.000 0.505 166 N N -1.274 117.163 118.700 -0.439 0.000 2.120 166 N HA -0.228 4.517 4.740 0.008 0.000 0.188 166 N C 1.746 176.560 175.510 -1.160 0.000 1.024 166 N CA 1.290 53.912 53.050 -0.713 0.000 0.852 166 N CB -0.411 37.785 38.487 -0.485 0.000 1.003 166 N HN 0.545 nan 8.380 nan 0.000 0.424 167 H N 0.675 119.130 119.070 -1.026 0.000 2.290 167 H HA -0.039 4.521 4.556 0.008 0.000 0.298 167 H C 1.872 176.884 175.328 -0.527 0.000 1.087 167 H CA 1.581 57.188 56.048 -0.734 0.000 1.291 167 H CB -0.042 29.763 29.762 0.072 0.000 1.369 167 H HN 0.096 nan 8.280 nan 0.000 0.492 168 L N -0.586 120.500 121.223 -0.228 0.000 2.046 168 L HA -0.152 4.192 4.340 0.008 0.000 0.208 168 L C 2.535 179.229 176.870 -0.293 0.000 1.077 168 L CA 1.583 56.320 54.840 -0.172 0.000 0.747 168 L CB -0.630 41.302 42.059 -0.211 0.000 0.896 168 L HN 0.387 nan 8.230 nan 0.000 0.432 169 T N -0.402 113.835 114.554 -0.528 0.000 2.777 169 T HA -0.130 4.225 4.350 0.008 0.000 0.266 169 T C 1.396 175.885 174.700 -0.351 0.000 1.040 169 T CA 1.598 63.394 62.100 -0.507 0.000 1.141 169 T CB -0.339 68.023 68.868 -0.844 0.000 0.868 169 T HN 0.460 nan 8.240 nan 0.000 0.444 170 N N 0.825 119.242 118.700 -0.472 0.000 2.270 170 N HA 0.118 4.863 4.740 0.008 0.000 0.198 170 N C -0.428 174.980 175.510 -0.170 0.000 1.117 170 N CA -0.036 52.848 53.050 -0.278 0.000 0.845 170 N CB 0.268 38.583 38.487 -0.288 0.000 0.980 170 N HN 0.183 nan 8.380 nan 0.000 0.486 171 D N -0.486 119.795 120.400 -0.198 0.000 2.828 171 D HA -0.164 4.481 4.640 0.008 0.000 0.241 171 D C -0.449 175.911 176.300 0.100 0.000 1.142 171 D CA 0.215 54.209 54.000 -0.010 0.000 0.755 171 D CB -1.034 39.787 40.800 0.036 0.000 1.014 171 D HN 0.311 nan 8.370 nan 0.000 0.420 172 W N 1.479 122.635 121.300 -0.240 0.000 3.180 172 W HA 0.377 5.042 4.660 0.009 0.000 0.254 172 W C 2.105 178.502 176.519 -0.203 0.000 1.318 172 W CA 0.628 57.738 57.345 -0.392 0.000 1.608 172 W CB -0.787 28.200 29.460 -0.789 0.000 1.124 172 W HN 0.595 nan 8.180 nan 0.000 0.694 173 G N 1.737 110.677 108.800 0.232 0.000 2.686 173 G HA2 -0.426 3.538 3.960 0.008 0.000 0.329 173 G HA3 -0.426 3.538 3.960 0.008 0.000 0.329 173 G C 0.880 176.020 174.900 0.400 0.000 1.187 173 G CA 1.300 46.579 45.100 0.299 0.000 0.965 173 G HN 0.203 nan 8.290 nan 0.000 0.549 174 D N 1.610 122.153 120.400 0.239 0.000 2.349 174 D HA 0.129 4.773 4.640 0.008 0.000 0.215 174 D C 1.385 177.788 176.300 0.170 0.000 1.016 174 D CA 0.588 54.692 54.000 0.174 0.000 0.870 174 D CB 0.077 40.926 40.800 0.082 0.000 0.917 174 D HN 0.593 nan 8.370 nan 0.000 0.524 175 K N 1.742 122.285 120.400 0.238 0.000 2.518 175 K HA -0.093 4.232 4.320 0.008 0.000 0.276 175 K C 0.314 177.065 176.600 0.251 0.000 0.974 175 K CA 0.006 56.405 56.287 0.187 0.000 0.986 175 K CB 0.632 33.194 32.500 0.103 0.000 0.901 175 K HN -0.067 nan 8.250 nan 0.000 0.497 176 E N 2.822 123.075 120.200 0.089 0.000 2.415 176 E HA -0.056 4.299 4.350 0.008 0.000 0.263 176 E C -0.824 175.834 176.600 0.097 0.000 0.995 176 E CA 0.036 56.430 56.400 -0.011 0.000 0.915 176 E CB 0.361 30.040 29.700 -0.034 0.000 0.951 176 E HN 0.517 nan 8.360 nan 0.000 0.449 177 H N 3.690 122.590 119.070 -0.284 0.000 2.819 177 H HA 0.063 4.624 4.556 0.008 0.000 0.303 177 H C -0.266 174.907 175.328 -0.258 0.000 1.058 177 H CA -0.467 55.234 56.048 -0.578 0.000 1.471 177 H CB 0.652 29.496 29.762 -1.530 0.000 1.480 177 H HN 0.489 nan 8.280 nan 0.000 0.517 178 E N 3.373 123.672 120.200 0.166 0.000 2.299 178 E HA 0.086 4.441 4.350 0.008 0.000 0.272 178 E C -0.271 176.442 176.600 0.189 0.000 1.043 178 E CA -0.289 56.213 56.400 0.169 0.000 0.895 178 E CB 0.694 30.494 29.700 0.166 0.000 1.011 178 E HN 0.412 nan 8.360 nan 0.000 0.432 179 I N 7.140 127.790 120.570 0.135 0.000 2.395 179 I HA 0.209 4.383 4.170 0.008 0.000 0.289 179 I C -1.905 174.292 176.117 0.133 0.000 1.023 179 I CA -1.909 59.477 61.300 0.143 0.000 1.350 179 I CB 0.791 38.867 38.000 0.127 0.000 1.409 179 I HN 0.347 nan 8.210 nan 0.000 0.507 180 P HA 0.412 nan 4.420 nan 0.000 0.281 180 P C -1.300 176.028 177.300 0.048 0.000 1.264 180 P CA -0.366 62.677 63.100 -0.095 0.000 0.824 180 P CB 1.075 32.753 31.700 -0.035 0.000 1.092 181 F N -1.661 118.403 119.950 0.190 0.000 2.603 181 F HA 0.625 5.157 4.527 0.008 0.000 0.317 181 F C -0.412 175.514 175.800 0.210 0.000 1.066 181 F CA -1.226 56.908 58.000 0.224 0.000 0.941 181 F CB 1.004 40.181 39.000 0.294 0.000 1.291 181 F HN 0.044 nan 8.300 nan 0.000 0.472 182 D N 2.067 122.753 120.400 0.477 0.000 2.414 182 D HA 0.270 4.914 4.640 0.008 0.000 0.232 182 D C 0.665 177.165 176.300 0.334 0.000 1.070 182 D CA -0.576 53.629 54.000 0.340 0.000 0.839 182 D CB 1.209 42.241 40.800 0.386 0.000 1.079 182 D HN 0.687 nan 8.370 nan 0.000 0.521 183 I N 1.482 122.180 120.570 0.213 0.000 3.334 183 I HA -0.016 4.159 4.170 0.008 0.000 0.282 183 I C 1.200 177.470 176.117 0.255 0.000 1.313 183 I CA 0.191 61.589 61.300 0.163 0.000 1.396 183 I CB -0.412 37.521 38.000 -0.112 0.000 1.054 183 I HN 0.266 nan 8.210 nan 0.000 0.495 184 Y N 1.974 122.283 120.300 0.016 0.000 2.333 184 Y HA -0.085 4.470 4.550 0.008 0.000 0.290 184 Y C 1.323 177.072 175.900 -0.251 0.000 1.144 184 Y CA 0.940 58.849 58.100 -0.318 0.000 1.228 184 Y CB -0.108 38.028 38.460 -0.541 0.000 0.985 184 Y HN 0.316 nan 8.280 nan 0.000 0.542 185 H N 1.042 120.227 119.070 0.191 0.000 2.580 185 H HA 0.118 4.679 4.556 0.008 0.000 0.322 185 H C -1.603 173.789 175.328 0.106 0.000 1.082 185 H CA -2.266 53.867 56.048 0.140 0.000 1.383 185 H CB 0.857 30.734 29.762 0.192 0.000 1.450 185 H HN 0.114 nan 8.280 nan 0.000 0.505 186 P HA -0.142 nan 4.420 nan 0.000 0.217 186 P C 1.333 178.717 177.300 0.140 0.000 1.150 186 P CA 1.419 64.589 63.100 0.117 0.000 0.832 186 P CB 0.182 31.930 31.700 0.081 0.000 0.787 187 A N -0.208 122.720 122.820 0.180 0.000 1.858 187 A HA -0.167 4.158 4.320 0.008 0.000 0.216 187 A C 2.375 180.081 177.584 0.203 0.000 1.190 187 A CA 2.579 54.739 52.037 0.205 0.000 0.617 187 A CB -1.952 17.177 19.000 0.214 0.000 0.827 187 A HN 0.161 nan 8.150 nan 0.000 0.443 188 T N -0.758 113.972 114.554 0.293 0.000 2.720 188 T HA -0.186 4.169 4.350 0.008 0.000 0.268 188 T C 2.066 176.800 174.700 0.056 0.000 1.037 188 T CA 1.720 63.949 62.100 0.214 0.000 1.144 188 T CB -0.261 68.845 68.868 0.397 0.000 0.864 188 T HN 0.566 nan 8.240 nan 0.000 0.444 189 R N 1.033 121.603 120.500 0.116 0.000 2.091 189 R HA -0.100 4.244 4.340 0.008 0.000 0.238 189 R C 2.457 178.829 176.300 0.121 0.000 1.136 189 R CA 1.746 57.904 56.100 0.097 0.000 0.959 189 R CB -0.151 30.235 30.300 0.143 0.000 0.856 189 R HN 0.300 nan 8.270 nan 0.000 0.437 190 K N -0.458 119.987 120.400 0.074 0.000 2.057 190 K HA -0.196 4.129 4.320 0.008 0.000 0.207 190 K C 1.951 178.498 176.600 -0.089 0.000 1.049 190 K CA 1.607 57.918 56.287 0.040 0.000 0.931 190 K CB -0.322 32.191 32.500 0.022 0.000 0.714 190 K HN 0.176 nan 8.250 nan 0.000 0.440 191 F N 1.293 120.961 119.950 -0.470 0.000 2.091 191 F HA -0.250 4.281 4.527 0.007 0.000 0.299 191 F C 1.818 177.328 175.800 -0.485 0.000 1.103 191 F CA 1.488 59.024 58.000 -0.774 0.000 1.228 191 F CB -0.413 37.480 39.000 -1.844 0.000 0.984 191 F HN -0.179 nan 8.300 nan 0.000 0.477 192 V N -0.151 119.554 119.914 -0.349 0.000 2.295 192 V HA -0.303 3.822 4.120 0.008 0.000 0.246 192 V C 2.273 178.202 176.094 -0.275 0.000 1.049 192 V CA 2.141 64.266 62.300 -0.291 0.000 1.024 192 V CB -0.834 30.902 31.823 -0.146 0.000 0.648 192 V HN 0.297 nan 8.190 nan 0.000 0.447 193 F N 0.474 120.369 119.950 -0.092 0.000 2.146 193 F HA -0.124 4.408 4.527 0.008 0.000 0.298 193 F C 2.289 178.063 175.800 -0.043 0.000 1.096 193 F CA 1.594 59.583 58.000 -0.018 0.000 1.275 193 F CB -0.671 38.305 39.000 -0.039 0.000 1.008 193 F HN 0.208 nan 8.300 nan 0.000 0.480 194 D N -0.517 119.887 120.400 0.007 0.000 2.123 194 D HA -0.139 4.505 4.640 0.008 0.000 0.196 194 D C 2.284 178.502 176.300 -0.137 0.000 0.992 194 D CA 1.911 55.861 54.000 -0.083 0.000 0.833 194 D CB -0.797 39.907 40.800 -0.159 0.000 0.954 194 D HN 0.189 nan 8.370 nan 0.000 0.455 195 T N 0.474 114.832 114.554 -0.327 0.000 2.777 195 T HA -0.136 4.218 4.350 0.008 0.000 0.266 195 T C 1.693 176.440 174.700 0.078 0.000 1.040 195 T CA 0.555 62.484 62.100 -0.284 0.000 1.141 195 T CB -0.417 68.026 68.868 -0.708 0.000 0.868 195 T HN 0.075 nan 8.240 nan 0.000 0.444 196 F N 2.064 121.991 119.950 -0.038 0.000 2.102 196 F HA -0.048 4.483 4.527 0.008 0.000 0.298 196 F C 2.412 178.273 175.800 0.101 0.000 1.105 196 F CA 1.389 59.380 58.000 -0.016 0.000 1.239 196 F CB -0.431 38.482 39.000 -0.145 0.000 0.991 196 F HN 0.171 nan 8.300 nan 0.000 0.474 197 E N -0.347 119.857 120.200 0.007 0.000 2.058 197 E HA -0.350 4.005 4.350 0.008 0.000 0.194 197 E C 2.237 178.794 176.600 -0.072 0.000 0.997 197 E CA 1.603 57.958 56.400 -0.074 0.000 0.801 197 E CB -0.275 29.430 29.700 0.009 0.000 0.746 197 E HN 0.427 nan 8.360 nan 0.000 0.450 198 Q N 0.198 119.994 119.800 -0.007 0.000 2.020 198 Q HA -0.198 4.147 4.340 0.008 0.000 0.202 198 Q C 1.698 177.725 176.000 0.045 0.000 0.982 198 Q CA 2.271 58.081 55.803 0.012 0.000 0.838 198 Q CB -0.917 27.838 28.738 0.028 0.000 0.899 198 Q HN 0.510 nan 8.270 nan 0.000 0.423 199 W N 0.302 121.553 121.300 -0.081 0.000 2.321 199 W HA -0.222 4.442 4.660 0.008 0.000 0.306 199 W C 1.573 177.993 176.519 -0.165 0.000 1.217 199 W CA 1.822 59.140 57.345 -0.045 0.000 1.257 199 W CB -0.274 29.255 29.460 0.114 0.000 1.145 199 W HN 0.242 nan 8.180 nan 0.000 0.509 200 L N 0.468 121.650 121.223 -0.068 0.000 2.079 200 L HA -0.265 4.079 4.340 0.008 0.000 0.210 200 L C 2.499 179.214 176.870 -0.259 0.000 1.081 200 L CA 1.753 56.439 54.840 -0.257 0.000 0.752 200 L CB -0.789 41.064 42.059 -0.343 0.000 0.896 200 L HN -0.017 nan 8.230 nan 0.000 0.433 201 K N -0.414 119.877 120.400 -0.182 0.000 2.103 201 K HA -0.123 4.201 4.320 0.008 0.000 0.204 201 K C 1.343 177.840 176.600 -0.172 0.000 1.052 201 K CA 1.110 57.311 56.287 -0.144 0.000 0.945 201 K CB -0.080 32.366 32.500 -0.090 0.000 0.722 201 K HN 0.232 nan 8.250 nan 0.000 0.443 202 D N 0.316 120.590 120.400 -0.209 0.000 2.363 202 D HA -0.009 4.636 4.640 0.008 0.000 0.226 202 D C -0.030 176.071 176.300 -0.331 0.000 1.020 202 D CA 0.667 54.536 54.000 -0.218 0.000 0.892 202 D CB 0.370 41.070 40.800 -0.167 0.000 0.900 202 D HN -0.087 nan 8.370 nan 0.000 0.531 203 S N 1.248 116.669 115.700 -0.465 0.000 2.256 203 S HA 0.154 4.629 4.470 0.008 0.000 0.210 203 S C -1.716 172.687 174.600 -0.329 0.000 1.329 203 S CA -0.925 56.956 58.200 -0.531 0.000 1.267 203 S CB 1.519 64.070 63.200 -1.081 0.000 1.086 203 S HN 0.127 nan 8.310 nan 0.000 0.468 204 P HA -0.158 nan 4.420 nan 0.000 0.220 204 P C 0.856 178.098 177.300 -0.097 0.000 1.148 204 P CA 1.223 64.245 63.100 -0.131 0.000 0.803 204 P CB 0.134 31.777 31.700 -0.096 0.000 0.782 205 Q N -0.635 119.107 119.800 -0.096 0.000 2.389 205 Q HA 0.064 4.409 4.340 0.008 0.000 0.204 205 Q C 0.702 176.685 176.000 -0.028 0.000 0.944 205 Q CA 0.568 56.340 55.803 -0.050 0.000 0.908 205 Q CB -1.843 26.873 28.738 -0.036 0.000 1.002 205 Q HN 0.079 nan 8.270 nan 0.000 0.493 206 T N 2.440 116.955 114.554 -0.065 0.000 2.853 206 T HA 0.023 4.377 4.350 0.008 0.000 0.298 206 T C 0.118 174.834 174.700 0.027 0.000 0.978 206 T CA 0.102 62.197 62.100 -0.008 0.000 1.152 206 T CB 0.585 69.420 68.868 -0.055 0.000 0.914 206 T HN 0.214 nan 8.240 nan 0.000 0.539 207 D N 1.751 122.201 120.400 0.083 0.000 2.394 207 D HA 0.087 4.732 4.640 0.008 0.000 0.226 207 D C 0.380 176.739 176.300 0.098 0.000 0.990 207 D CA 0.606 54.663 54.000 0.094 0.000 0.902 207 D CB 0.612 41.483 40.800 0.118 0.000 1.038 207 D HN 0.277 nan 8.370 nan 0.000 0.499 208 V N 2.423 122.387 119.914 0.083 0.000 2.409 208 V HA 0.211 4.336 4.120 0.008 0.000 0.291 208 V C 0.061 176.117 176.094 -0.063 0.000 1.020 208 V CA -0.779 61.494 62.300 -0.046 0.000 0.848 208 V CB 2.324 33.929 31.823 -0.364 0.000 0.990 208 V HN -0.185 nan 8.190 nan 0.000 0.430 209 V N 5.421 125.298 119.914 -0.061 0.000 2.427 209 V HA 0.333 4.458 4.120 0.008 0.000 0.268 209 V C 0.696 176.535 176.094 -0.425 0.000 1.046 209 V CA -0.390 61.772 62.300 -0.231 0.000 0.970 209 V CB 0.688 32.300 31.823 -0.352 0.000 1.001 209 V HN 0.811 nan 8.190 nan 0.000 0.476 210 R N 4.794 125.057 120.500 -0.395 0.000 2.870 210 R HA 0.314 4.658 4.340 0.008 0.000 0.254 210 R C -0.795 175.264 176.300 -0.401 0.000 1.392 210 R CA -0.538 55.374 56.100 -0.313 0.000 1.322 210 R CB -0.091 30.107 30.300 -0.171 0.000 1.205 210 R HN 0.564 nan 8.270 nan 0.000 0.597 211 F N 1.806 121.593 119.950 -0.273 0.000 2.538 211 F HA 0.016 4.547 4.527 0.007 0.000 0.382 211 F C 0.849 176.419 175.800 -0.384 0.000 1.069 211 F CA 0.687 58.415 58.000 -0.453 0.000 1.138 211 F CB 0.980 39.487 39.000 -0.821 0.000 1.068 211 F HN 0.232 nan 8.300 nan 0.000 0.556 212 T N 2.256 116.726 114.554 -0.140 0.000 3.466 212 T HA 0.276 4.631 4.350 0.008 0.000 0.297 212 T C 0.492 175.287 174.700 0.159 0.000 1.640 212 T CA -0.365 61.760 62.100 0.041 0.000 1.631 212 T CB 0.393 69.266 68.868 0.009 0.000 0.928 212 T HN 0.604 nan 8.240 nan 0.000 0.688 213 T N -0.071 114.509 114.554 0.044 0.000 2.233 213 T HA 0.522 4.877 4.350 0.008 0.000 0.172 213 T C 0.115 174.473 174.700 -0.570 0.000 0.740 213 T CA -0.083 61.898 62.100 -0.198 0.000 1.172 213 T CB 0.146 69.016 68.868 0.002 0.000 2.941 213 T HN 0.173 nan 8.240 nan 0.000 0.398 214 F N -0.476 119.335 119.950 -0.231 0.000 2.229 214 F HA 0.520 5.052 4.527 0.008 0.000 0.199 214 F C 1.276 176.641 175.800 -0.724 0.000 1.184 214 F CA -0.493 57.027 58.000 -0.800 0.000 1.216 214 F CB -0.286 38.062 39.000 -1.087 0.000 1.633 214 F HN 0.195 nan 8.300 nan 0.000 0.431 215 F N -2.176 117.843 119.950 0.114 0.000 2.680 215 F HA 0.271 4.803 4.527 0.008 0.000 0.290 215 F C -0.616 174.895 175.800 -0.483 0.000 1.114 215 F CA -0.665 57.203 58.000 -0.219 0.000 1.333 215 F CB -0.319 38.488 39.000 -0.322 0.000 1.091 215 F HN -0.123 nan 8.300 nan 0.000 0.606 216 Y N 0.913 121.360 120.300 0.244 0.000 2.338 216 Y HA 0.515 5.069 4.550 0.007 0.000 0.333 216 Y C -0.047 175.903 175.900 0.083 0.000 0.968 216 Y CA -1.805 56.389 58.100 0.158 0.000 1.123 216 Y CB 1.214 39.768 38.460 0.158 0.000 1.165 216 Y HN -0.196 nan 8.280 nan 0.000 0.452 217 Q N 3.928 123.832 119.800 0.173 0.000 2.304 217 Q HA 0.280 4.624 4.340 0.008 0.000 0.260 217 Q C -0.671 175.340 176.000 0.019 0.000 0.965 217 Q CA -0.593 55.228 55.803 0.031 0.000 0.898 217 Q CB 0.230 28.919 28.738 -0.081 0.000 1.196 217 Q HN 0.465 nan 8.270 nan 0.000 0.402 218 F N 1.138 121.139 119.950 0.085 0.000 2.602 218 F HA 0.245 4.776 4.527 0.008 0.000 0.367 218 F C 0.277 176.122 175.800 0.075 0.000 1.126 218 F CA -0.747 57.280 58.000 0.046 0.000 1.321 218 F CB -0.344 38.690 39.000 0.057 0.000 1.094 218 F HN 0.423 nan 8.300 nan 0.000 0.594 219 T N 5.443 120.155 114.554 0.263 0.000 2.709 219 T HA 0.220 4.574 4.350 0.008 0.000 0.269 219 T C -0.406 174.387 174.700 0.154 0.000 1.008 219 T CA 0.414 62.610 62.100 0.159 0.000 1.194 219 T CB -0.280 68.694 68.868 0.176 0.000 0.986 219 T HN 0.648 nan 8.240 nan 0.000 0.508 220 L N 6.038 127.264 121.223 0.004 0.000 2.617 220 L HA 0.472 4.817 4.340 0.008 0.000 0.259 220 L C -1.470 175.457 176.870 0.095 0.000 0.995 220 L CA -0.190 54.674 54.840 0.039 0.000 0.899 220 L CB 0.854 42.833 42.059 -0.132 0.000 1.181 220 L HN 0.561 nan 8.230 nan 0.000 0.437 221 L N 4.033 125.340 121.223 0.138 0.000 2.362 221 L HA 0.595 4.940 4.340 0.008 0.000 0.275 221 L C -0.860 176.204 176.870 0.323 0.000 0.998 221 L CA -0.543 54.412 54.840 0.192 0.000 0.820 221 L CB 1.834 43.928 42.059 0.058 0.000 1.270 221 L HN 0.303 nan 8.230 nan 0.000 0.415 222 F N 0.849 120.872 119.950 0.122 0.000 2.470 222 F HA 0.361 4.892 4.527 0.008 0.000 0.329 222 F C 0.492 176.394 175.800 0.170 0.000 1.072 222 F CA -0.854 57.208 58.000 0.103 0.000 0.989 222 F CB 1.424 40.474 39.000 0.082 0.000 1.193 222 F HN 0.529 nan 8.300 nan 0.000 0.481 223 D N 0.280 120.743 120.400 0.106 0.000 2.506 223 D HA 0.096 4.741 4.640 0.008 0.000 0.272 223 D C 0.895 177.259 176.300 0.107 0.000 1.214 223 D CA -0.365 53.671 54.000 0.060 0.000 1.067 223 D CB 0.160 40.906 40.800 -0.090 0.000 1.117 223 D HN 0.550 nan 8.370 nan 0.000 0.578 224 E N 0.305 120.557 120.200 0.087 0.000 2.268 224 E HA -0.229 4.126 4.350 0.008 0.000 0.195 224 E C 0.641 177.268 176.600 0.045 0.000 0.995 224 E CA 1.038 57.522 56.400 0.140 0.000 0.836 224 E CB -0.341 29.422 29.700 0.106 0.000 0.763 224 E HN 0.542 nan 8.360 nan 0.000 0.491 225 K N 0.703 121.078 120.400 -0.041 0.000 2.476 225 K HA 0.183 4.508 4.320 0.008 0.000 0.196 225 K C -0.085 176.414 176.600 -0.170 0.000 1.025 225 K CA -0.030 56.209 56.287 -0.079 0.000 1.138 225 K CB 0.083 32.542 32.500 -0.069 0.000 0.860 225 K HN 0.048 nan 8.250 nan 0.000 0.515 226 R N 0.279 120.581 120.500 -0.330 0.000 3.770 226 R HA -0.202 4.143 4.340 0.008 0.000 0.305 226 R C -0.599 175.610 176.300 -0.150 0.000 1.184 226 R CA 0.719 56.504 56.100 -0.524 0.000 0.823 226 R CB -1.873 28.120 30.300 -0.512 0.000 1.285 226 R HN 0.224 nan 8.270 nan 0.000 0.499 227 R N 0.931 121.287 120.500 -0.240 0.000 2.643 227 R HA 0.286 4.630 4.340 0.008 0.000 0.272 227 R C 0.124 175.839 176.300 -0.974 0.000 0.995 227 R CA -0.975 54.868 56.100 -0.427 0.000 1.032 227 R CB 0.892 31.027 30.300 -0.276 0.000 1.126 227 R HN 0.126 nan 8.270 nan 0.000 0.505 228 E N 1.831 121.267 120.200 -1.273 0.000 2.414 228 E HA -0.103 4.251 4.350 0.008 0.000 0.263 228 E C 0.053 176.337 176.600 -0.528 0.000 1.000 228 E CA 0.356 56.023 56.400 -1.222 0.000 0.914 228 E CB 0.802 30.075 29.700 -0.711 0.000 0.948 228 E HN 0.449 nan 8.360 nan 0.000 0.444 229 K N 2.900 123.103 120.400 -0.328 0.000 2.325 229 K HA 0.137 4.462 4.320 0.008 0.000 0.203 229 K C -0.501 176.033 176.600 -0.110 0.000 1.128 229 K CA 0.267 56.456 56.287 -0.164 0.000 0.931 229 K CB 0.885 33.342 32.500 -0.072 0.000 1.125 229 K HN 0.371 nan 8.250 nan 0.000 0.487 230 V N 1.677 121.536 119.914 -0.092 0.000 2.686 230 V HA 0.458 4.583 4.120 0.008 0.000 0.306 230 V C -1.238 174.847 176.094 -0.016 0.000 1.065 230 V CA -0.942 61.302 62.300 -0.094 0.000 0.894 230 V CB 1.707 33.358 31.823 -0.287 0.000 1.004 230 V HN -0.016 nan 8.190 nan 0.000 0.424 231 V N 3.227 123.167 119.914 0.044 0.000 2.808 231 V HA 0.783 4.908 4.120 0.008 0.000 0.308 231 V C -1.986 174.226 176.094 0.196 0.000 1.099 231 V CA -0.140 62.252 62.300 0.153 0.000 0.920 231 V CB 2.234 34.147 31.823 0.151 0.000 1.014 231 V HN 1.022 nan 8.190 nan 0.000 0.425 232 D N 4.421 124.997 120.400 0.292 0.000 2.613 232 D HA 0.144 4.789 4.640 0.008 0.000 0.230 232 D C 0.033 176.473 176.300 0.233 0.000 1.365 232 D CA -0.432 53.733 54.000 0.275 0.000 0.976 232 D CB 1.262 42.244 40.800 0.303 0.000 1.415 232 D HN 0.580 nan 8.370 nan 0.000 0.589 233 W N 4.107 125.214 121.300 -0.322 0.000 2.387 233 W HA -0.064 4.603 4.660 0.011 0.000 0.272 233 W C 0.673 176.932 176.519 -0.433 0.000 1.224 233 W CA 0.984 57.831 57.345 -0.829 0.000 1.210 233 W CB -0.169 28.690 29.460 -1.003 0.000 1.125 233 W HN 0.391 nan 8.180 nan 0.000 0.572 234 F N -0.285 119.743 119.950 0.130 0.000 2.695 234 F HA 0.412 4.943 4.527 0.008 0.000 0.303 234 F C 1.641 177.396 175.800 -0.076 0.000 1.091 234 F CA -0.008 57.934 58.000 -0.096 0.000 1.300 234 F CB -0.926 38.001 39.000 -0.122 0.000 1.071 234 F HN -0.240 nan 8.300 nan 0.000 0.578 235 G N -0.560 108.362 108.800 0.203 0.000 2.432 235 G HA2 0.218 4.182 3.960 0.008 0.000 0.257 235 G HA3 0.218 4.182 3.960 0.008 0.000 0.257 235 G C 0.157 175.156 174.900 0.166 0.000 1.238 235 G CA -0.305 44.925 45.100 0.216 0.000 0.838 235 G HN 0.368 nan 8.290 nan 0.000 0.547 236 C N 2.430 121.844 119.300 0.190 0.000 2.614 236 C HA 0.348 4.812 4.460 0.008 0.000 0.299 236 C C 2.601 177.722 174.990 0.219 0.000 1.293 236 C CA 0.021 59.171 59.018 0.221 0.000 1.713 236 C CB -1.176 26.774 27.740 0.351 0.000 1.890 236 C HN 0.871 nan 8.230 nan 0.000 0.602 237 A N -0.469 122.460 122.820 0.183 0.000 1.908 237 A HA -0.206 4.118 4.320 0.008 0.000 0.218 237 A C 1.504 179.098 177.584 0.016 0.000 1.181 237 A CA 1.686 53.802 52.037 0.131 0.000 0.627 237 A CB -0.632 18.450 19.000 0.136 0.000 0.818 237 A HN 0.641 nan 8.150 nan 0.000 0.445 238 C N 0.659 119.990 119.300 0.053 0.000 2.439 238 C HA 0.405 4.870 4.460 0.008 0.000 0.411 238 C C 1.632 176.697 174.990 0.126 0.000 1.337 238 C CA 0.477 59.525 59.018 0.051 0.000 1.716 238 C CB -1.867 25.911 27.740 0.063 0.000 2.332 238 C HN 0.698 nan 8.230 nan 0.000 0.594 239 T N -3.619 110.952 114.554 0.029 0.000 3.262 239 T HA 0.257 4.611 4.350 0.008 0.000 0.300 239 T C 0.052 174.751 174.700 -0.002 0.000 0.959 239 T CA 0.041 62.104 62.100 -0.062 0.000 0.936 239 T CB -0.469 68.328 68.868 -0.118 0.000 1.169 239 T HN 0.282 nan 8.240 nan 0.000 0.532 240 V N 0.089 119.926 119.914 -0.128 0.000 3.096 240 V HA 1.026 5.151 4.120 0.008 0.000 0.319 240 V C -0.320 175.684 176.094 -0.150 0.000 1.082 240 V CA -0.393 61.768 62.300 -0.231 0.000 1.022 240 V CB 1.427 32.838 31.823 -0.687 0.000 1.103 240 V HN 0.833 nan 8.190 nan 0.000 0.455 241 S N 0.061 115.677 115.700 -0.140 0.000 2.578 241 S HA 0.558 5.033 4.470 0.008 0.000 0.272 241 S C -2.667 171.887 174.600 -0.077 0.000 1.145 241 S CA -0.638 57.522 58.200 -0.067 0.000 0.835 241 S CB 1.203 64.475 63.200 0.121 0.000 1.104 241 S HN 0.456 nan 8.310 nan 0.000 0.458 242 P HA -0.056 nan 4.420 nan 0.000 0.216 242 P C 1.614 178.988 177.300 0.123 0.000 1.150 242 P CA 1.048 64.017 63.100 -0.217 0.000 0.837 242 P CB 0.058 31.424 31.700 -0.556 0.000 0.786 243 R N 0.389 120.998 120.500 0.181 0.000 2.073 243 R HA -0.031 4.314 4.340 0.008 0.000 0.234 243 R C 2.098 178.564 176.300 0.277 0.000 1.134 243 R CA 2.053 58.325 56.100 0.286 0.000 0.952 243 R CB -1.589 28.956 30.300 0.408 0.000 0.850 243 R HN 0.047 nan 8.270 nan 0.000 0.433 244 A N 0.379 123.232 122.820 0.054 0.000 1.902 244 A HA -0.094 4.231 4.320 0.008 0.000 0.217 244 A C 2.311 180.026 177.584 0.217 0.000 1.181 244 A CA 1.531 53.510 52.037 -0.097 0.000 0.623 244 A CB -0.649 18.066 19.000 -0.475 0.000 0.818 244 A HN 0.345 nan 8.150 nan 0.000 0.443 245 L N -0.347 121.004 121.223 0.213 0.000 2.046 245 L HA -0.209 4.136 4.340 0.008 0.000 0.208 245 L C 2.117 179.135 176.870 0.247 0.000 1.077 245 L CA 1.553 56.530 54.840 0.229 0.000 0.747 245 L CB -0.681 41.507 42.059 0.215 0.000 0.896 245 L HN 0.323 nan 8.230 nan 0.000 0.432 246 D N -0.174 120.387 120.400 0.268 0.000 2.117 246 D HA -0.168 4.476 4.640 0.008 0.000 0.198 246 D C 1.780 178.201 176.300 0.202 0.000 0.982 246 D CA 1.151 55.290 54.000 0.231 0.000 0.828 246 D CB -0.350 40.596 40.800 0.244 0.000 0.967 246 D HN 0.287 nan 8.370 nan 0.000 0.464 247 D N 0.210 120.755 120.400 0.243 0.000 2.104 247 D HA -0.160 4.485 4.640 0.008 0.000 0.194 247 D C 1.847 178.230 176.300 0.138 0.000 0.994 247 D CA 0.442 54.593 54.000 0.251 0.000 0.830 247 D CB -0.634 40.433 40.800 0.445 0.000 0.959 247 D HN 0.213 nan 8.370 nan 0.000 0.452 248 F N 1.693 121.516 119.950 -0.211 0.000 2.095 248 F HA -0.228 4.304 4.527 0.008 0.000 0.298 248 F C 2.349 178.074 175.800 -0.125 0.000 1.104 248 F CA 1.934 59.660 58.000 -0.457 0.000 1.232 248 F CB -0.040 38.568 39.000 -0.654 0.000 0.987 248 F HN -0.080 nan 8.300 nan 0.000 0.475 249 E N 0.256 120.564 120.200 0.180 0.000 2.097 249 E HA -0.274 4.081 4.350 0.008 0.000 0.196 249 E C 2.202 178.796 176.600 -0.010 0.000 1.000 249 E CA 1.268 57.722 56.400 0.091 0.000 0.804 249 E CB -0.383 29.393 29.700 0.128 0.000 0.740 249 E HN 0.501 nan 8.360 nan 0.000 0.454 250 A N 0.643 123.472 122.820 0.016 0.000 1.969 250 A HA -0.149 4.176 4.320 0.008 0.000 0.218 250 A C 1.971 179.519 177.584 -0.059 0.000 1.169 250 A CA 1.499 53.539 52.037 0.005 0.000 0.635 250 A CB -0.194 18.833 19.000 0.045 0.000 0.810 250 A HN 0.150 nan 8.150 nan 0.000 0.445 251 K N -1.986 118.344 120.400 -0.116 0.000 2.137 251 K HA 0.024 4.349 4.320 0.008 0.000 0.202 251 K C 1.337 177.663 176.600 -0.458 0.000 1.052 251 K CA 1.279 57.420 56.287 -0.243 0.000 0.961 251 K CB -0.137 32.236 32.500 -0.212 0.000 0.741 251 K HN 0.611 nan 8.250 nan 0.000 0.452 252 Y N -0.532 119.464 120.300 -0.506 0.000 2.478 252 Y HA 0.166 4.721 4.550 0.008 0.000 0.261 252 Y C 1.313 177.095 175.900 -0.198 0.000 1.127 252 Y CA 0.324 58.128 58.100 -0.494 0.000 1.288 252 Y CB 1.120 38.915 38.460 -1.107 0.000 1.084 252 Y HN 0.222 nan 8.280 nan 0.000 0.530 253 G N 0.201 108.973 108.800 -0.046 0.000 2.136 253 G HA2 -0.318 3.647 3.960 0.008 0.000 0.242 253 G HA3 -0.318 3.647 3.960 0.008 0.000 0.242 253 G C -0.343 174.689 174.900 0.221 0.000 0.989 253 G CA 0.436 45.583 45.100 0.079 0.000 0.682 253 G HN 0.533 nan 8.290 nan 0.000 0.522 254 Y N -2.460 117.913 120.300 0.121 0.000 2.581 254 Y HA 0.802 5.357 4.550 0.008 0.000 0.337 254 Y C -0.382 175.652 175.900 0.223 0.000 1.108 254 Y CA -1.938 56.250 58.100 0.147 0.000 1.033 254 Y CB 0.956 39.495 38.460 0.132 0.000 1.318 254 Y HN 0.202 nan 8.280 nan 0.000 0.459 255 R N 3.118 123.781 120.500 0.272 0.000 2.254 255 R HA 0.541 4.886 4.340 0.008 0.000 0.318 255 R C -1.183 175.230 176.300 0.190 0.000 1.031 255 R CA -0.561 55.646 56.100 0.178 0.000 0.905 255 R CB 0.605 30.980 30.300 0.125 0.000 1.050 255 R HN 0.906 nan 8.270 nan 0.000 0.456 256 L N 5.100 126.355 121.223 0.053 0.000 2.416 256 L HA 0.250 4.595 4.340 0.008 0.000 0.272 256 L C 0.769 177.630 176.870 -0.015 0.000 1.161 256 L CA -0.006 54.807 54.840 -0.045 0.000 0.845 256 L CB 0.662 42.549 42.059 -0.287 0.000 1.119 256 L HN 0.567 nan 8.230 nan 0.000 0.464 257 R N 3.533 123.998 120.500 -0.058 0.000 2.615 257 R HA 0.144 4.488 4.340 0.008 0.000 0.270 257 R C -1.525 174.646 176.300 -0.214 0.000 1.081 257 R CA -1.490 54.557 56.100 -0.090 0.000 1.154 257 R CB 0.148 30.394 30.300 -0.089 0.000 1.063 257 R HN 0.348 nan 8.270 nan 0.000 0.519 258 P HA -0.203 nan 4.420 nan 0.000 0.217 258 P C 0.723 177.733 177.300 -0.484 0.000 1.148 258 P CA 1.185 63.755 63.100 -0.882 0.000 0.828 258 P CB 0.257 31.480 31.700 -0.794 0.000 0.783 259 E N -0.124 119.897 120.200 -0.298 0.000 2.204 259 E HA -0.181 4.174 4.350 0.008 0.000 0.195 259 E C 1.310 177.753 176.600 -0.261 0.000 0.990 259 E CA 1.146 57.405 56.400 -0.235 0.000 0.821 259 E CB -0.915 28.687 29.700 -0.164 0.000 0.750 259 E HN 0.213 nan 8.360 nan 0.000 0.477 260 D N -1.292 118.911 120.400 -0.329 0.000 2.363 260 D HA -0.074 4.571 4.640 0.008 0.000 0.220 260 D C 0.737 176.604 176.300 -0.722 0.000 0.994 260 D CA 0.555 54.264 54.000 -0.485 0.000 0.890 260 D CB 0.102 40.562 40.800 -0.566 0.000 0.906 260 D HN 0.288 nan 8.370 nan 0.000 0.530 261 F N -0.261 119.490 119.950 -0.332 0.000 2.537 261 F HA -0.039 4.493 4.527 0.007 0.000 0.277 261 F C 2.348 178.001 175.800 -0.245 0.000 1.013 261 F CA 0.038 57.879 58.000 -0.265 0.000 1.332 261 F CB -0.626 38.233 39.000 -0.235 0.000 1.108 261 F HN -0.194 nan 8.300 nan 0.000 0.679 262 V N -1.659 118.146 119.914 -0.182 0.000 2.548 262 V HA -0.067 4.057 4.120 0.008 0.000 0.249 262 V C 0.635 176.457 176.094 -0.453 0.000 1.055 262 V CA 1.356 63.349 62.300 -0.512 0.000 1.065 262 V CB -0.779 30.754 31.823 -0.484 0.000 0.681 262 V HN 0.504 nan 8.190 nan 0.000 0.462 263 D N 0.744 120.983 120.400 -0.269 0.000 2.705 263 D HA -0.080 4.564 4.640 0.008 0.000 0.240 263 D C 1.132 177.335 176.300 -0.162 0.000 1.137 263 D CA 1.431 55.322 54.000 -0.183 0.000 0.677 263 D CB -1.569 39.158 40.800 -0.121 0.000 1.049 263 D HN 1.632 nan 8.370 nan 0.000 0.427 264 G N -0.606 108.092 108.800 -0.170 0.000 2.200 264 G HA2 -0.009 3.956 3.960 0.008 0.000 0.267 264 G HA3 -0.009 3.956 3.960 0.008 0.000 0.267 264 G C 1.468 176.298 174.900 -0.118 0.000 0.993 264 G CA 0.994 46.018 45.100 -0.126 0.000 0.701 264 G HN 1.840 nan 8.290 nan 0.000 0.524 265 G N -2.202 106.477 108.800 -0.202 0.000 2.211 265 G HA2 0.200 4.165 3.960 0.008 0.000 0.201 265 G HA3 0.200 4.165 3.960 0.008 0.000 0.201 265 G C 1.231 176.136 174.900 0.008 0.000 0.997 265 G CA 1.128 46.157 45.100 -0.119 0.000 0.652 265 G HN 1.901 nan 8.290 nan 0.000 0.500 266 A N -0.446 122.363 122.820 -0.018 0.000 2.081 266 A HA 0.526 4.851 4.320 0.008 0.000 0.214 266 A C 1.308 179.045 177.584 0.255 0.000 1.158 266 A CA 1.506 53.615 52.037 0.121 0.000 0.724 266 A CB -0.340 18.708 19.000 0.080 0.000 0.826 266 A HN 1.372 nan 8.150 nan 0.000 0.463 267 Y N -0.434 119.906 120.300 0.066 0.000 3.491 267 Y HA -0.266 4.289 4.550 0.008 0.000 0.215 267 Y C 0.597 176.560 175.900 0.107 0.000 1.219 267 Y CA 0.629 58.779 58.100 0.084 0.000 1.485 267 Y CB -2.477 36.043 38.460 0.100 0.000 1.450 267 Y HN 0.591 nan 8.280 nan 0.000 0.603 268 N N -1.670 117.133 118.700 0.171 0.000 2.725 268 N HA -0.209 4.536 4.740 0.008 0.000 0.249 268 N C 0.295 175.959 175.510 0.257 0.000 1.103 268 N CA 1.189 54.341 53.050 0.171 0.000 0.707 268 N CB -1.100 37.465 38.487 0.130 0.000 1.043 268 N HN 0.638 nan 8.380 nan 0.000 0.553 269 S N -0.506 115.366 115.700 0.287 0.000 2.715 269 S HA 0.117 4.591 4.470 0.008 0.000 0.318 269 S C 1.690 176.546 174.600 0.427 0.000 1.242 269 S CA 0.397 58.816 58.200 0.366 0.000 1.044 269 S CB 0.685 64.091 63.200 0.344 0.000 0.760 269 S HN 0.451 nan 8.310 nan 0.000 0.501 270 A N 4.693 127.807 122.820 0.489 0.000 2.194 270 A HA -0.066 4.258 4.320 0.008 0.000 0.220 270 A C 1.414 179.231 177.584 0.389 0.000 1.162 270 A CA 1.323 53.612 52.037 0.419 0.000 0.674 270 A CB -0.751 18.344 19.000 0.159 0.000 0.789 270 A HN 0.988 nan 8.150 nan 0.000 0.470 271 W N 0.301 121.759 121.300 0.263 0.000 2.584 271 W HA 0.114 4.778 4.660 0.007 0.000 0.264 271 W C 0.974 177.495 176.519 0.004 0.000 1.264 271 W CA 0.043 57.487 57.345 0.166 0.000 1.306 271 W CB 0.081 29.741 29.460 0.334 0.000 1.110 271 W HN 0.058 nan 8.180 nan 0.000 0.606 272 R N 1.067 121.723 120.500 0.260 0.000 2.537 272 R HA 0.086 4.431 4.340 0.008 0.000 0.280 272 R C -0.088 176.174 176.300 -0.062 0.000 1.058 272 R CA -0.165 55.999 56.100 0.107 0.000 1.057 272 R CB 0.423 30.791 30.300 0.114 0.000 0.973 272 R HN -0.241 nan 8.270 nan 0.000 0.438 273 V N 6.352 126.192 119.914 -0.124 0.000 2.509 273 V HA -0.021 4.104 4.120 0.008 0.000 0.297 273 V C -1.704 174.225 176.094 -0.275 0.000 1.014 273 V CA -0.709 61.442 62.300 -0.249 0.000 1.127 273 V CB 0.111 31.820 31.823 -0.189 0.000 0.925 273 V HN 0.598 nan 8.190 nan 0.000 0.480 274 P HA 0.252 nan 4.420 nan 0.000 0.268 274 P C -0.285 176.858 177.300 -0.261 0.000 1.205 274 P CA -0.024 62.822 63.100 -0.423 0.000 0.771 274 P CB 0.559 31.723 31.700 -0.893 0.000 0.858 275 R N 1.591 121.997 120.500 -0.155 0.000 2.643 275 R HA 0.297 4.642 4.340 0.008 0.000 0.272 275 R C 1.538 177.785 176.300 -0.088 0.000 0.995 275 R CA -0.889 55.135 56.100 -0.127 0.000 1.032 275 R CB 1.004 31.235 30.300 -0.114 0.000 1.126 275 R HN 0.407 nan 8.270 nan 0.000 0.505 276 K N 1.493 121.847 120.400 -0.076 0.000 2.074 276 K HA -0.219 4.106 4.320 0.008 0.000 0.209 276 K C 1.713 178.344 176.600 0.051 0.000 1.048 276 K CA 1.988 58.264 56.287 -0.019 0.000 0.926 276 K CB -0.171 32.307 32.500 -0.037 0.000 0.713 276 K HN 0.688 nan 8.250 nan 0.000 0.444 277 A N 1.096 123.928 122.820 0.020 0.000 1.940 277 A HA -0.232 4.093 4.320 0.008 0.000 0.219 277 A C 2.005 179.575 177.584 -0.023 0.000 1.176 277 A CA 1.663 53.729 52.037 0.048 0.000 0.631 277 A CB -0.484 18.470 19.000 -0.078 0.000 0.814 277 A HN 0.535 nan 8.150 nan 0.000 0.446 278 Q N -0.805 118.974 119.800 -0.034 0.000 2.079 278 Q HA -0.130 4.215 4.340 0.008 0.000 0.200 278 Q C 2.385 178.479 176.000 0.157 0.000 0.974 278 Q CA 1.398 57.223 55.803 0.037 0.000 0.840 278 Q CB -0.168 28.614 28.738 0.072 0.000 0.898 278 Q HN 0.632 nan 8.270 nan 0.000 0.430 279 R N 0.621 121.200 120.500 0.133 0.000 2.066 279 R HA -0.113 4.231 4.340 0.008 0.000 0.232 279 R C 1.764 178.170 176.300 0.177 0.000 1.131 279 R CA 1.349 57.546 56.100 0.161 0.000 0.955 279 R CB -0.200 30.163 30.300 0.105 0.000 0.851 279 R HN 0.282 nan 8.270 nan 0.000 0.432 280 D N 0.121 120.629 120.400 0.181 0.000 2.123 280 D HA -0.245 4.400 4.640 0.008 0.000 0.196 280 D C 1.519 177.925 176.300 0.177 0.000 0.992 280 D CA 0.853 54.937 54.000 0.141 0.000 0.833 280 D CB -0.363 40.530 40.800 0.155 0.000 0.954 280 D HN 0.366 nan 8.370 nan 0.000 0.455 281 W N 1.421 122.730 121.300 0.015 0.000 2.355 281 W HA -0.134 4.531 4.660 0.007 0.000 0.309 281 W C 2.080 178.698 176.519 0.165 0.000 1.206 281 W CA 0.654 58.020 57.345 0.034 0.000 1.284 281 W CB -0.354 29.024 29.460 -0.136 0.000 1.145 281 W HN -0.065 nan 8.180 nan 0.000 0.502 282 I N 0.962 121.639 120.570 0.179 0.000 2.151 282 I HA -0.372 3.803 4.170 0.008 0.000 0.243 282 I C 2.142 178.284 176.117 0.043 0.000 1.080 282 I CA 1.914 63.258 61.300 0.072 0.000 1.339 282 I CB -0.658 37.413 38.000 0.119 0.000 1.039 282 I HN -0.139 nan 8.210 nan 0.000 0.409 283 D N 0.434 120.909 120.400 0.125 0.000 2.097 283 D HA -0.227 4.417 4.640 0.008 0.000 0.195 283 D C 1.913 178.321 176.300 0.181 0.000 0.989 283 D CA 1.284 55.385 54.000 0.168 0.000 0.827 283 D CB -0.491 40.469 40.800 0.267 0.000 0.966 283 D HN 0.253 nan 8.370 nan 0.000 0.456 284 F N 1.240 121.210 119.950 0.034 0.000 2.065 284 F HA -0.214 4.317 4.527 0.008 0.000 0.298 284 F C 2.165 177.877 175.800 -0.147 0.000 1.112 284 F CA 1.117 59.111 58.000 -0.010 0.000 1.212 284 F CB -0.534 38.397 39.000 -0.115 0.000 0.975 284 F HN -0.085 nan 8.300 nan 0.000 0.476 285 L N -0.489 120.460 121.223 -0.457 0.000 2.056 285 L HA -0.125 4.220 4.340 0.008 0.000 0.207 285 L C 2.735 179.513 176.870 -0.154 0.000 1.078 285 L CA 1.987 56.529 54.840 -0.497 0.000 0.749 285 L CB -1.124 40.618 42.059 -0.527 0.000 0.901 285 L HN 0.282 nan 8.230 nan 0.000 0.433 286 S N -0.784 114.862 115.700 -0.090 0.000 2.368 286 S HA -0.151 4.324 4.470 0.008 0.000 0.225 286 S C 2.047 176.646 174.600 -0.003 0.000 1.030 286 S CA 1.248 59.440 58.200 -0.014 0.000 0.999 286 S CB -0.789 62.415 63.200 0.006 0.000 0.844 286 S HN 0.651 nan 8.310 nan 0.000 0.459 287 G N 0.438 109.232 108.800 -0.009 0.000 2.491 287 G HA2 -0.264 3.701 3.960 0.008 0.000 0.218 287 G HA3 -0.264 3.701 3.960 0.008 0.000 0.218 287 G C 1.283 176.177 174.900 -0.011 0.000 1.180 287 G CA 1.152 46.249 45.100 -0.005 0.000 0.774 287 G HN 0.584 nan 8.290 nan 0.000 0.562 288 F N 0.991 120.837 119.950 -0.174 0.000 2.128 288 F HA -0.004 4.527 4.527 0.007 0.000 0.295 288 F C 2.718 178.484 175.800 -0.056 0.000 1.100 288 F CA 1.381 59.298 58.000 -0.138 0.000 1.260 288 F CB -0.361 38.534 39.000 -0.174 0.000 1.009 288 F HN 0.002 nan 8.300 nan 0.000 0.476 289 V N 1.367 121.306 119.914 0.041 0.000 2.287 289 V HA -0.325 3.799 4.120 0.008 0.000 0.248 289 V C 2.570 178.610 176.094 -0.089 0.000 1.053 289 V CA 2.397 64.737 62.300 0.067 0.000 1.027 289 V CB -0.702 31.275 31.823 0.256 0.000 0.646 289 V HN 0.299 nan 8.190 nan 0.000 0.447 290 R N -0.447 119.996 120.500 -0.094 0.000 2.081 290 R HA -0.206 4.139 4.340 0.008 0.000 0.235 290 R C 2.377 178.563 176.300 -0.189 0.000 1.131 290 R CA 1.679 57.697 56.100 -0.137 0.000 0.960 290 R CB -0.361 29.895 30.300 -0.074 0.000 0.856 290 R HN 0.664 nan 8.270 nan 0.000 0.436 291 E N 0.887 120.967 120.200 -0.200 0.000 2.049 291 E HA -0.225 4.129 4.350 0.008 0.000 0.198 291 E C 1.564 178.011 176.600 -0.256 0.000 1.007 291 E CA 1.484 57.749 56.400 -0.226 0.000 0.809 291 E CB 0.043 29.595 29.700 -0.246 0.000 0.749 291 E HN 0.308 nan 8.360 nan 0.000 0.450 292 N N -0.111 118.392 118.700 -0.329 0.000 2.270 292 N HA -0.102 4.643 4.740 0.008 0.000 0.181 292 N C 1.930 177.424 175.510 -0.026 0.000 1.016 292 N CA 0.939 53.872 53.050 -0.194 0.000 0.870 292 N CB 0.084 38.226 38.487 -0.576 0.000 0.979 292 N HN 0.087 nan 8.380 nan 0.000 0.431 293 V N 1.926 121.723 119.914 -0.195 0.000 2.343 293 V HA -0.202 3.923 4.120 0.008 0.000 0.247 293 V C 2.525 178.365 176.094 -0.425 0.000 1.051 293 V CA 1.441 63.380 62.300 -0.601 0.000 1.036 293 V CB -0.436 30.808 31.823 -0.964 0.000 0.654 293 V HN 0.293 nan 8.190 nan 0.000 0.451 294 K N -0.292 119.928 120.400 -0.300 0.000 2.063 294 K HA -0.276 4.049 4.320 0.008 0.000 0.208 294 K C 2.313 178.811 176.600 -0.171 0.000 1.048 294 K CA 1.950 58.102 56.287 -0.225 0.000 0.928 294 K CB -0.143 32.248 32.500 -0.182 0.000 0.713 294 K HN 0.507 nan 8.250 nan 0.000 0.442 295 Q N 0.466 120.181 119.800 -0.141 0.000 2.084 295 Q HA -0.138 4.206 4.340 0.008 0.000 0.202 295 Q C 2.199 178.214 176.000 0.026 0.000 0.978 295 Q CA 1.246 56.987 55.803 -0.103 0.000 0.844 295 Q CB 0.003 28.588 28.738 -0.255 0.000 0.898 295 Q HN 0.368 nan 8.270 nan 0.000 0.426 296 L N -0.102 121.141 121.223 0.034 0.000 2.083 296 L HA -0.183 4.161 4.340 0.008 0.000 0.209 296 L C 2.491 179.321 176.870 -0.066 0.000 1.083 296 L CA 0.992 55.795 54.840 -0.063 0.000 0.752 296 L CB -0.517 41.230 42.059 -0.521 0.000 0.899 296 L HN 0.265 nan 8.230 nan 0.000 0.433 297 A N -0.146 122.546 122.820 -0.214 0.000 1.873 297 A HA -0.214 4.110 4.320 0.008 0.000 0.215 297 A C 1.917 179.239 177.584 -0.438 0.000 1.186 297 A CA 1.816 53.660 52.037 -0.321 0.000 0.616 297 A CB -0.521 18.290 19.000 -0.315 0.000 0.823 297 A HN 0.323 nan 8.150 nan 0.000 0.442 298 D N -0.272 120.014 120.400 -0.191 0.000 2.123 298 D HA -0.175 4.470 4.640 0.008 0.000 0.196 298 D C 1.968 178.273 176.300 0.009 0.000 0.992 298 D CA 1.541 55.510 54.000 -0.052 0.000 0.833 298 D CB -0.370 40.414 40.800 -0.027 0.000 0.954 298 D HN 0.491 nan 8.370 nan 0.000 0.455 299 M N 0.140 119.777 119.600 0.062 0.000 2.175 299 M HA -0.103 4.382 4.480 0.008 0.000 0.264 299 M C 2.247 178.633 176.300 0.143 0.000 1.063 299 M CA 0.895 56.278 55.300 0.138 0.000 1.119 299 M CB 0.054 32.829 32.600 0.292 0.000 1.377 299 M HN -0.126 nan 8.290 nan 0.000 0.415 300 S N -0.727 115.087 115.700 0.190 0.000 2.368 300 S HA -0.138 4.337 4.470 0.008 0.000 0.224 300 S C 1.557 176.249 174.600 0.153 0.000 1.029 300 S CA 1.110 59.425 58.200 0.190 0.000 0.988 300 S CB -0.612 62.743 63.200 0.258 0.000 0.838 300 S HN 0.577 nan 8.310 nan 0.000 0.462 301 H N 1.172 120.313 119.070 0.118 0.000 2.353 301 H HA 0.055 4.615 4.556 0.008 0.000 0.300 301 H C 2.432 177.787 175.328 0.045 0.000 1.090 301 H CA 0.816 56.907 56.048 0.071 0.000 1.327 301 H CB -0.169 29.625 29.762 0.053 0.000 1.383 301 H HN 0.439 nan 8.280 nan 0.000 0.508 302 A N 0.985 123.898 122.820 0.155 0.000 2.131 302 A HA -0.064 4.261 4.320 0.008 0.000 0.220 302 A C 2.262 179.875 177.584 0.049 0.000 1.158 302 A CA 1.312 53.396 52.037 0.079 0.000 0.665 302 A CB -0.518 18.510 19.000 0.047 0.000 0.795 302 A HN 0.484 nan 8.150 nan 0.000 0.460 303 A N -1.982 120.870 122.820 0.053 0.000 2.308 303 A HA 0.450 4.775 4.320 0.008 0.000 0.217 303 A C 1.620 179.222 177.584 0.030 0.000 1.216 303 A CA 1.003 53.049 52.037 0.015 0.000 0.864 303 A CB -0.711 18.274 19.000 -0.026 0.000 0.902 303 A HN 1.826 nan 8.150 nan 0.000 0.499 304 G N -0.198 108.642 108.800 0.067 0.000 2.147 304 G HA2 -0.233 3.732 3.960 0.008 0.000 0.244 304 G HA3 -0.233 3.732 3.960 0.008 0.000 0.244 304 G C 0.003 174.955 174.900 0.087 0.000 1.005 304 G CA 0.565 45.704 45.100 0.065 0.000 0.713 304 G HN 0.584 nan 8.290 nan 0.000 0.515 305 K N -0.117 120.363 120.400 0.133 0.000 2.221 305 K HA 0.562 4.886 4.320 0.008 0.000 0.243 305 K C 0.025 176.769 176.600 0.240 0.000 0.968 305 K CA -0.847 55.529 56.287 0.149 0.000 0.846 305 K CB 1.881 34.458 32.500 0.128 0.000 1.141 305 K HN 0.286 nan 8.250 nan 0.000 0.434 306 E N 0.497 120.817 120.200 0.199 0.000 2.319 306 E HA 0.338 4.693 4.350 0.008 0.000 0.268 306 E C -0.904 175.816 176.600 0.201 0.000 1.050 306 E CA -0.671 55.873 56.400 0.240 0.000 0.878 306 E CB 1.488 31.308 29.700 0.199 0.000 1.066 306 E HN 0.552 nan 8.360 nan 0.000 0.406 307 A N 3.367 126.327 122.820 0.233 0.000 2.258 307 A HA 0.451 4.776 4.320 0.008 0.000 0.316 307 A C -0.613 177.073 177.584 0.171 0.000 1.279 307 A CA -0.463 51.731 52.037 0.262 0.000 0.876 307 A CB 0.309 19.434 19.000 0.209 0.000 1.170 307 A HN 0.640 nan 8.150 nan 0.000 0.520 308 M N 4.282 123.966 119.600 0.141 0.000 2.311 308 M HA 0.614 5.098 4.480 0.008 0.000 0.325 308 M C -0.984 175.388 176.300 0.121 0.000 1.061 308 M CA -0.539 54.776 55.300 0.024 0.000 0.957 308 M CB 1.492 34.007 32.600 -0.142 0.000 1.646 308 M HN 0.798 nan 8.290 nan 0.000 0.434 309 M N 4.999 124.667 119.600 0.113 0.000 2.205 309 M HA 0.384 4.869 4.480 0.008 0.000 0.344 309 M C -1.660 174.703 176.300 0.104 0.000 1.085 309 M CA -0.676 54.684 55.300 0.100 0.000 1.001 309 M CB 1.145 33.905 32.600 0.267 0.000 1.626 309 M HN 0.787 nan 8.290 nan 0.000 0.442 310 F N 6.003 125.902 119.950 -0.086 0.000 2.467 310 F HA 0.274 4.805 4.527 0.007 0.000 0.362 310 F C -0.774 174.988 175.800 -0.063 0.000 1.090 310 F CA -0.583 57.376 58.000 -0.068 0.000 1.202 310 F CB 0.567 39.526 39.000 -0.068 0.000 1.113 310 F HN 0.572 nan 8.300 nan 0.000 0.541 311 L N 7.583 128.410 121.223 -0.660 0.000 2.415 311 L HA 0.550 4.895 4.340 0.008 0.000 0.269 311 L C 0.114 176.238 176.870 -1.244 0.000 1.244 311 L CA 0.736 55.128 54.840 -0.746 0.000 1.113 311 L CB -0.915 40.872 42.059 -0.454 0.000 1.352 311 L HN 0.846 nan 8.230 nan 0.000 0.433 312 G N 1.514 109.596 108.800 -1.195 0.000 2.345 312 G HA2 0.228 4.193 3.960 0.008 0.000 0.285 312 G HA3 0.228 4.193 3.960 0.008 0.000 0.285 312 G C -0.710 174.185 174.900 -0.008 0.000 1.297 312 G CA -0.177 44.421 45.100 -0.837 0.000 0.875 312 G HN 0.315 nan 8.290 nan 0.000 0.506 313 D N -0.683 120.015 120.400 0.497 0.000 3.899 313 D HA -0.208 4.437 4.640 0.008 0.000 0.146 313 D C 1.238 177.801 176.300 0.438 0.000 0.820 313 D CA 2.135 56.436 54.000 0.501 0.000 1.056 313 D CB -0.696 40.341 40.800 0.396 0.000 0.474 313 D HN 0.626 nan 8.370 nan 0.000 0.457 314 Q N 1.062 121.022 119.800 0.266 0.000 3.141 314 Q HA 0.132 4.476 4.340 0.008 0.000 0.304 314 Q C 0.629 176.787 176.000 0.262 0.000 1.305 314 Q CA -0.079 55.842 55.803 0.198 0.000 0.929 314 Q CB -0.637 28.146 28.738 0.075 0.000 1.701 314 Q HN 0.537 nan 8.270 nan 0.000 0.483 315 W N -0.507 120.820 121.300 0.045 0.000 3.127 315 W HA 0.294 4.960 4.660 0.009 0.000 0.344 315 W C -0.899 175.646 176.519 0.044 0.000 1.151 315 W CA -0.579 56.779 57.345 0.021 0.000 1.765 315 W CB 0.069 29.450 29.460 -0.131 0.000 1.085 315 W HN 0.009 nan 8.180 nan 0.000 0.596 316 I N 2.455 122.862 120.570 -0.272 0.000 2.648 316 I HA 0.215 4.390 4.170 0.008 0.000 0.284 316 I C 1.708 177.783 176.117 -0.070 0.000 1.153 316 I CA 1.502 62.593 61.300 -0.347 0.000 1.426 316 I CB -0.247 37.674 38.000 -0.132 0.000 1.381 316 I HN 0.432 nan 8.210 nan 0.000 0.571 317 G N 4.379 113.088 108.800 -0.152 0.000 2.176 317 G HA2 -0.336 3.629 3.960 0.008 0.000 0.253 317 G HA3 -0.336 3.629 3.960 0.008 0.000 0.253 317 G C 0.907 175.808 174.900 0.003 0.000 0.979 317 G CA 0.772 45.850 45.100 -0.036 0.000 0.641 317 G HN 0.706 nan 8.290 nan 0.000 0.530 318 T N -1.878 112.679 114.554 0.005 0.000 2.894 318 T HA 0.274 4.629 4.350 0.008 0.000 0.258 318 T C 0.841 175.617 174.700 0.127 0.000 1.043 318 T CA 1.209 63.390 62.100 0.135 0.000 1.141 318 T CB -0.081 68.960 68.868 0.287 0.000 0.873 318 T HN 0.811 nan 8.240 nan 0.000 0.449 319 E N 1.665 121.850 120.200 -0.025 0.000 2.291 319 E HA -0.110 4.245 4.350 0.008 0.000 0.181 319 E C -1.879 174.611 176.600 -0.183 0.000 1.480 319 E CA 0.641 57.004 56.400 -0.062 0.000 0.674 319 E CB -1.257 28.432 29.700 -0.019 0.000 1.108 319 E HN 0.467 nan 8.360 nan 0.000 0.357 320 P HA -0.162 nan 4.420 nan 0.000 0.221 320 P C 0.965 177.754 177.300 -0.852 0.000 1.145 320 P CA 1.340 63.634 63.100 -1.342 0.000 0.795 320 P CB -0.015 31.065 31.700 -1.033 0.000 0.775 321 Y N -0.509 119.646 120.300 -0.242 0.000 2.457 321 Y HA 0.223 4.777 4.550 0.008 0.000 0.263 321 Y C 1.204 177.080 175.900 -0.039 0.000 1.164 321 Y CA -0.044 57.993 58.100 -0.104 0.000 1.274 321 Y CB 0.017 38.435 38.460 -0.070 0.000 1.097 321 Y HN -0.160 nan 8.280 nan 0.000 0.523 322 K N 0.872 121.315 120.400 0.072 0.000 2.118 322 K HA 0.118 4.442 4.320 0.008 0.000 0.267 322 K C -0.578 176.085 176.600 0.104 0.000 0.991 322 K CA -0.841 55.500 56.287 0.090 0.000 0.916 322 K CB 0.593 33.138 32.500 0.076 0.000 1.041 322 K HN -0.059 nan 8.250 nan 0.000 0.455 323 D N 0.826 121.283 120.400 0.096 0.000 2.629 323 D HA -0.023 4.622 4.640 0.008 0.000 0.228 323 D C 1.199 177.559 176.300 0.099 0.000 1.127 323 D CA 1.752 55.807 54.000 0.092 0.000 0.855 323 D CB 0.646 41.488 40.800 0.070 0.000 1.180 323 D HN 0.819 nan 8.370 nan 0.000 0.484 324 G N 1.492 110.352 108.800 0.099 0.000 2.176 324 G HA2 -0.348 3.616 3.960 0.008 0.000 0.232 324 G HA3 -0.348 3.616 3.960 0.008 0.000 0.232 324 G C 0.822 175.781 174.900 0.098 0.000 0.986 324 G CA 0.193 45.339 45.100 0.077 0.000 0.643 324 G HN 0.469 nan 8.290 nan 0.000 0.522 325 F N 2.852 122.794 119.950 -0.012 0.000 2.171 325 F HA -0.019 4.513 4.527 0.008 0.000 0.300 325 F C 2.522 178.306 175.800 -0.025 0.000 1.090 325 F CA 2.257 60.241 58.000 -0.027 0.000 1.293 325 F CB -0.020 38.958 39.000 -0.035 0.000 1.013 325 F HN 0.338 nan 8.300 nan 0.000 0.486 326 D N 0.061 120.482 120.400 0.034 0.000 2.149 326 D HA -0.268 4.376 4.640 0.008 0.000 0.198 326 D C 1.528 177.768 176.300 -0.100 0.000 0.990 326 D CA 1.677 55.651 54.000 -0.042 0.000 0.839 326 D CB -1.034 39.785 40.800 0.032 0.000 0.948 326 D HN 0.479 nan 8.370 nan 0.000 0.460 327 E N 0.053 120.206 120.200 -0.077 0.000 2.463 327 E HA -0.028 4.327 4.350 0.008 0.000 0.201 327 E C 2.156 178.681 176.600 -0.125 0.000 1.045 327 E CA 0.069 56.423 56.400 -0.077 0.000 0.872 327 E CB -0.115 29.555 29.700 -0.050 0.000 0.797 327 E HN 0.416 nan 8.360 nan 0.000 0.538 328 L N -0.574 120.516 121.223 -0.222 0.000 2.291 328 L HA 0.003 4.347 4.340 0.008 0.000 0.214 328 L C 1.665 178.423 176.870 -0.187 0.000 1.120 328 L CA 0.602 55.279 54.840 -0.272 0.000 0.799 328 L CB -0.449 41.323 42.059 -0.478 0.000 0.925 328 L HN 0.314 nan 8.230 nan 0.000 0.446 329 G N 0.834 109.557 108.800 -0.128 0.000 2.179 329 G HA2 -0.302 3.662 3.960 0.008 0.000 0.257 329 G HA3 -0.302 3.662 3.960 0.008 0.000 0.257 329 G C 0.244 175.183 174.900 0.065 0.000 1.010 329 G CA -0.081 45.028 45.100 0.015 0.000 0.736 329 G HN 0.245 nan 8.290 nan 0.000 0.513 330 L N 0.413 121.572 121.223 -0.106 0.000 2.490 330 L HA 0.173 4.518 4.340 0.008 0.000 0.274 330 L C 1.490 178.364 176.870 0.007 0.000 1.201 330 L CA -0.082 54.726 54.840 -0.054 0.000 0.869 330 L CB 0.430 42.401 42.059 -0.147 0.000 1.123 330 L HN 0.142 nan 8.230 nan 0.000 0.484 331 D N 2.138 122.573 120.400 0.059 0.000 2.162 331 D HA 0.085 4.729 4.640 0.008 0.000 0.203 331 D C 0.417 176.570 176.300 -0.245 0.000 0.967 331 D CA 0.977 54.984 54.000 0.011 0.000 0.840 331 D CB 0.534 41.409 40.800 0.124 0.000 0.972 331 D HN 0.597 nan 8.370 nan 0.000 0.482 332 A N 0.047 122.689 122.820 -0.296 0.000 2.609 332 A HA 0.550 4.875 4.320 0.008 0.000 0.291 332 A C -1.313 176.178 177.584 -0.155 0.000 1.096 332 A CA -0.550 51.198 52.037 -0.482 0.000 0.684 332 A CB 1.895 20.230 19.000 -1.108 0.000 1.282 332 A HN -0.091 nan 8.150 nan 0.000 0.412 333 V N 0.509 120.366 119.914 -0.095 0.000 2.604 333 V HA 0.669 4.794 4.120 0.008 0.000 0.305 333 V C -0.464 175.639 176.094 0.015 0.000 1.043 333 V CA -0.611 61.692 62.300 0.006 0.000 0.888 333 V CB 1.508 33.357 31.823 0.043 0.000 0.995 333 V HN 0.973 nan 8.190 nan 0.000 0.429 334 V N 3.952 123.902 119.914 0.060 0.000 2.715 334 V HA 1.035 5.160 4.120 0.008 0.000 0.310 334 V C 0.227 176.391 176.094 0.118 0.000 1.054 334 V CA 0.465 62.835 62.300 0.116 0.000 0.928 334 V CB 1.758 33.683 31.823 0.170 0.000 1.007 334 V HN 1.068 nan 8.190 nan 0.000 0.437 335 G N 2.941 111.790 108.800 0.082 0.000 2.682 335 G HA2 0.543 4.507 3.960 0.008 0.000 0.290 335 G HA3 0.543 4.507 3.960 0.008 0.000 0.290 335 G C -1.156 173.763 174.900 0.032 0.000 1.425 335 G CA -0.556 44.548 45.100 0.007 0.000 0.807 335 G HN 0.823 nan 8.290 nan 0.000 0.482 336 S N 0.321 116.019 115.700 -0.003 0.000 2.523 336 S HA 0.408 4.882 4.470 0.008 0.000 0.275 336 S C 0.170 174.717 174.600 -0.087 0.000 1.281 336 S CA -0.465 57.720 58.200 -0.025 0.000 1.050 336 S CB 1.007 64.203 63.200 -0.006 0.000 0.937 336 S HN 0.385 nan 8.310 nan 0.000 0.492 337 I N 3.569 124.011 120.570 -0.212 0.000 2.291 337 I HA 0.235 4.409 4.170 0.008 0.000 0.292 337 I C 1.265 177.275 176.117 -0.179 0.000 1.064 337 I CA 0.081 61.195 61.300 -0.311 0.000 1.269 337 I CB 0.127 37.679 38.000 -0.747 0.000 1.418 337 I HN 0.908 nan 8.210 nan 0.000 0.485 338 G N 5.329 114.044 108.800 -0.142 0.000 2.784 338 G HA2 0.176 4.140 3.960 0.008 0.000 0.208 338 G HA3 0.176 4.140 3.960 0.008 0.000 0.208 338 G C 0.040 174.876 174.900 -0.108 0.000 1.120 338 G CA 0.277 45.307 45.100 -0.117 0.000 0.774 338 G HN 0.643 nan 8.290 nan 0.000 0.528 339 D N -3.258 117.060 120.400 -0.138 0.000 2.893 339 D HA 0.230 4.874 4.640 0.008 0.000 0.346 339 D C 1.254 177.440 176.300 -0.191 0.000 1.402 339 D CA 0.140 54.058 54.000 -0.136 0.000 0.815 339 D CB 0.169 40.909 40.800 -0.100 0.000 1.403 339 D HN 0.013 nan 8.370 nan 0.000 0.484 340 G N -0.742 107.913 108.800 -0.242 0.000 2.402 340 G HA2 -0.160 3.804 3.960 0.008 0.000 0.216 340 G HA3 -0.160 3.804 3.960 0.008 0.000 0.216 340 G C 1.140 175.828 174.900 -0.354 0.000 1.162 340 G CA 1.797 46.721 45.100 -0.292 0.000 0.777 340 G HN 0.520 nan 8.290 nan 0.000 0.539 341 T N 1.305 115.668 114.554 -0.317 0.000 2.708 341 T HA -0.168 4.186 4.350 0.008 0.000 0.266 341 T C 2.814 177.390 174.700 -0.208 0.000 1.037 341 T CA 2.274 64.213 62.100 -0.268 0.000 1.146 341 T CB -0.746 67.972 68.868 -0.250 0.000 0.865 341 T HN 0.560 nan 8.240 nan 0.000 0.435 342 T N 0.313 114.758 114.554 -0.181 0.000 2.915 342 T HA -0.094 4.261 4.350 0.008 0.000 0.269 342 T C 2.045 176.655 174.700 -0.150 0.000 1.071 342 T CA 1.490 63.489 62.100 -0.169 0.000 1.132 342 T CB -0.953 67.744 68.868 -0.285 0.000 0.878 342 T HN 0.287 nan 8.240 nan 0.000 0.479 343 T N 1.819 116.248 114.554 -0.208 0.000 2.708 343 T HA -0.032 4.323 4.350 0.008 0.000 0.266 343 T C 2.202 176.775 174.700 -0.212 0.000 1.037 343 T CA 0.863 62.846 62.100 -0.196 0.000 1.146 343 T CB -0.170 68.580 68.868 -0.197 0.000 0.865 343 T HN 0.260 nan 8.240 nan 0.000 0.435 344 R N 0.827 121.083 120.500 -0.406 0.000 2.115 344 R HA 0.150 4.495 4.340 0.008 0.000 0.230 344 R C 2.425 178.555 176.300 -0.283 0.000 1.111 344 R CA 0.891 56.617 56.100 -0.624 0.000 0.976 344 R CB -0.834 28.436 30.300 -1.718 0.000 0.870 344 R HN 0.472 nan 8.270 nan 0.000 0.445 345 M N 0.008 119.554 119.600 -0.090 0.000 2.089 345 M HA -0.227 4.258 4.480 0.008 0.000 0.257 345 M C 2.178 178.598 176.300 0.200 0.000 1.071 345 M CA 1.872 57.286 55.300 0.189 0.000 1.096 345 M CB -0.410 32.297 32.600 0.178 0.000 1.330 345 M HN 0.038 nan 8.290 nan 0.000 0.403 346 I N -0.586 120.018 120.570 0.058 0.000 2.235 346 I HA -0.173 4.001 4.170 0.008 0.000 0.241 346 I C 2.690 178.843 176.117 0.060 0.000 1.085 346 I CA 1.058 62.379 61.300 0.034 0.000 1.378 346 I CB -0.656 37.346 38.000 0.003 0.000 1.076 346 I HN 0.225 nan 8.210 nan 0.000 0.415 347 A N 0.593 123.443 122.820 0.051 0.000 1.917 347 A HA -0.259 4.066 4.320 0.008 0.000 0.219 347 A C 1.707 179.363 177.584 0.120 0.000 1.182 347 A CA 2.378 54.462 52.037 0.077 0.000 0.633 347 A CB -0.687 18.330 19.000 0.028 0.000 0.819 347 A HN 0.395 nan 8.150 nan 0.000 0.448 348 D N -0.687 119.825 120.400 0.187 0.000 2.340 348 D HA 0.165 4.810 4.640 0.008 0.000 0.220 348 D C 0.247 176.681 176.300 0.224 0.000 1.039 348 D CA 0.000 54.178 54.000 0.296 0.000 0.866 348 D CB -0.187 40.926 40.800 0.522 0.000 0.913 348 D HN 0.470 nan 8.370 nan 0.000 0.523 349 I N 3.455 124.032 120.570 0.012 0.000 2.662 349 I HA 0.043 4.217 4.170 0.008 0.000 0.285 349 I C -1.714 174.358 176.117 -0.075 0.000 1.161 349 I CA -1.217 59.900 61.300 -0.305 0.000 1.415 349 I CB 0.319 38.113 38.000 -0.343 0.000 1.385 349 I HN -0.131 nan 8.210 nan 0.000 0.552 350 P HA 0.241 nan 4.420 nan 0.000 0.278 350 P C 0.498 177.877 177.300 0.132 0.000 1.266 350 P CA -0.145 62.993 63.100 0.064 0.000 0.807 350 P CB 1.164 32.914 31.700 0.083 0.000 1.094 351 G N -1.261 107.617 108.800 0.130 0.000 2.141 351 G HA2 -0.109 3.855 3.960 0.008 0.000 0.242 351 G HA3 -0.109 3.855 3.960 0.008 0.000 0.242 351 G C -0.064 174.900 174.900 0.106 0.000 0.982 351 G CA 0.144 45.326 45.100 0.137 0.000 0.662 351 G HN 0.763 nan 8.290 nan 0.000 0.527 352 V N -3.938 116.043 119.914 0.111 0.000 3.113 352 V HA 0.813 4.937 4.120 0.008 0.000 0.316 352 V C 1.219 177.356 176.094 0.071 0.000 1.125 352 V CA -0.232 62.105 62.300 0.062 0.000 1.026 352 V CB 1.569 33.426 31.823 0.058 0.000 1.080 352 V HN 0.053 nan 8.190 nan 0.000 0.444 353 K N 0.514 120.954 120.400 0.067 0.000 2.137 353 K HA 0.219 4.544 4.320 0.008 0.000 0.202 353 K C -0.087 176.677 176.600 0.274 0.000 1.052 353 K CA 1.661 58.047 56.287 0.165 0.000 0.961 353 K CB 0.003 32.638 32.500 0.225 0.000 0.741 353 K HN 0.830 nan 8.250 nan 0.000 0.452 354 Y N -1.681 118.676 120.300 0.095 0.000 2.689 354 Y HA 0.439 4.993 4.550 0.007 0.000 0.333 354 Y C -1.067 174.906 175.900 0.123 0.000 1.208 354 Y CA -1.478 56.687 58.100 0.109 0.000 1.055 354 Y CB 1.144 39.665 38.460 0.102 0.000 1.304 354 Y HN -0.122 nan 8.280 nan 0.000 0.455 355 T N -1.208 113.507 114.554 0.268 0.000 2.900 355 T HA 0.653 5.008 4.350 0.008 0.000 0.295 355 T C -1.403 173.464 174.700 0.278 0.000 1.044 355 T CA -0.703 61.500 62.100 0.172 0.000 0.995 355 T CB 2.385 71.346 68.868 0.155 0.000 1.072 355 T HN 0.953 nan 8.240 nan 0.000 0.473 356 E N 0.556 120.881 120.200 0.208 0.000 2.293 356 E HA 0.610 4.965 4.350 0.008 0.000 0.270 356 E C -0.569 176.121 176.600 0.151 0.000 0.879 356 E CA -1.033 55.504 56.400 0.228 0.000 0.756 356 E CB 1.709 31.563 29.700 0.255 0.000 1.208 356 E HN 1.017 nan 8.360 nan 0.000 0.428 357 G N 2.849 111.743 108.800 0.157 0.000 2.379 357 G HA2 0.314 4.279 3.960 0.008 0.000 0.327 357 G HA3 0.314 4.279 3.960 0.008 0.000 0.327 357 G C -0.839 174.058 174.900 -0.005 0.000 1.145 357 G CA -0.595 44.509 45.100 0.006 0.000 0.905 357 G HN 0.296 nan 8.290 nan 0.000 0.466 358 R N 2.731 123.170 120.500 -0.100 0.000 2.204 358 R HA 0.304 4.649 4.340 0.008 0.000 0.341 358 R C -0.897 175.292 176.300 -0.185 0.000 1.035 358 R CA -0.497 55.543 56.100 -0.100 0.000 0.887 358 R CB 0.089 30.366 30.300 -0.038 0.000 1.114 358 R HN 0.404 nan 8.270 nan 0.000 0.473 359 F N 3.058 122.766 119.950 -0.404 0.000 2.368 359 F HA 0.352 4.882 4.527 0.006 0.000 0.308 359 F C 0.910 176.686 175.800 -0.039 0.000 1.198 359 F CA -0.516 57.319 58.000 -0.275 0.000 1.130 359 F CB 0.775 39.512 39.000 -0.437 0.000 1.300 359 F HN 0.169 nan 8.300 nan 0.000 0.537 360 L N 2.001 123.439 121.223 0.358 0.000 2.334 360 L HA 0.488 4.832 4.340 0.008 0.000 0.270 360 L C -2.278 174.966 176.870 0.623 0.000 1.018 360 L CA -2.016 53.074 54.840 0.416 0.000 0.811 360 L CB 1.702 43.917 42.059 0.259 0.000 1.271 360 L HN 0.306 nan 8.230 nan 0.000 0.443 361 P HA 0.039 nan 4.420 nan 0.000 0.276 361 P C -1.284 176.348 177.300 0.554 0.000 1.244 361 P CA -0.360 63.023 63.100 0.472 0.000 0.801 361 P CB 0.606 32.516 31.700 0.349 0.000 1.006 362 Y N 1.371 121.842 120.300 0.285 0.000 2.442 362 Y HA 0.128 4.682 4.550 0.006 0.000 0.330 362 Y C 0.333 176.480 175.900 0.411 0.000 1.129 362 Y CA -0.105 58.105 58.100 0.183 0.000 1.365 362 Y CB -0.166 38.333 38.460 0.065 0.000 1.233 362 Y HN 0.123 nan 8.280 nan 0.000 0.529 363 F N 7.725 127.534 119.950 -0.235 0.000 2.685 363 F HA 0.127 4.657 4.527 0.006 0.000 0.349 363 F C -0.423 175.330 175.800 -0.078 0.000 1.294 363 F CA -0.465 57.253 58.000 -0.470 0.000 1.201 363 F CB -1.758 36.881 39.000 -0.602 0.000 1.615 363 F HN 0.244 nan 8.300 nan 0.000 0.674 364 F N 3.950 124.044 119.950 0.239 0.000 2.603 364 F HA 0.503 5.033 4.527 0.005 0.000 0.317 364 F C -1.749 174.258 175.800 0.345 0.000 1.066 364 F CA -2.606 55.598 58.000 0.339 0.000 0.941 364 F CB 2.280 41.541 39.000 0.435 0.000 1.291 364 F HN -0.137 nan 8.300 nan 0.000 0.472 365 P HA -0.110 nan 4.420 nan 0.000 0.226 365 P C 0.792 178.255 177.300 0.272 0.000 1.153 365 P CA 1.308 64.482 63.100 0.123 0.000 0.777 365 P CB -0.077 31.580 31.700 -0.071 0.000 0.794 366 D N 0.052 120.658 120.400 0.344 0.000 2.178 366 D HA -0.145 4.500 4.640 0.008 0.000 0.201 366 D C 1.663 178.203 176.300 0.399 0.000 0.980 366 D CA 2.084 56.271 54.000 0.312 0.000 0.842 366 D CB -1.104 39.897 40.800 0.335 0.000 0.948 366 D HN 0.255 nan 8.370 nan 0.000 0.472 367 T N -2.648 112.139 114.554 0.388 0.000 3.018 367 T HA 0.151 4.505 4.350 0.008 0.000 0.246 367 T C 0.490 175.077 174.700 -0.188 0.000 1.026 367 T CA -0.498 61.697 62.100 0.159 0.000 1.081 367 T CB -0.624 68.248 68.868 0.007 0.000 0.970 367 T HN 0.003 nan 8.240 nan 0.000 0.475 368 F N 3.810 123.694 119.950 -0.110 0.000 2.499 368 F HA 0.436 4.971 4.527 0.014 0.000 0.353 368 F C -0.429 175.410 175.800 0.065 0.000 1.196 368 F CA -1.291 56.439 58.000 -0.450 0.000 1.244 368 F CB -0.168 38.532 39.000 -0.500 0.000 1.577 368 F HN 0.345 nan 8.300 nan 0.000 0.614 369 Y N -1.009 119.390 120.300 0.164 0.000 2.553 369 Y HA 0.465 5.015 4.550 0.001 0.000 0.347 369 Y C -0.396 175.710 175.900 0.343 0.000 1.019 369 Y CA -2.206 56.062 58.100 0.281 0.000 1.032 369 Y CB 0.601 39.141 38.460 0.132 0.000 1.284 369 Y HN 0.264 nan 8.280 nan 0.000 0.466 370 E N 1.530 121.950 120.200 0.366 0.000 2.480 370 E HA 0.344 4.699 4.350 0.008 0.000 0.258 370 E C 0.985 177.674 176.600 0.148 0.000 0.984 370 E CA 1.547 58.052 56.400 0.174 0.000 0.930 370 E CB -0.177 29.585 29.700 0.103 0.000 0.936 370 E HN 1.192 nan 8.360 nan 0.000 0.466 371 G N 3.510 112.337 108.800 0.044 0.000 2.195 371 G HA2 -0.267 3.698 3.960 0.008 0.000 0.224 371 G HA3 -0.267 3.698 3.960 0.008 0.000 0.224 371 G C 0.054 174.892 174.900 -0.103 0.000 0.990 371 G CA 0.079 45.192 45.100 0.022 0.000 0.639 371 G HN 0.625 nan 8.290 nan 0.000 0.514 372 N N 0.710 119.214 118.700 -0.327 0.000 2.456 372 N HA 0.530 5.275 4.740 0.008 0.000 0.296 372 N C -1.529 173.841 175.510 -0.233 0.000 1.102 372 N CA -0.563 52.202 53.050 -0.475 0.000 0.924 372 N CB 1.555 39.360 38.487 -1.137 0.000 1.186 372 N HN 0.058 nan 8.380 nan 0.000 0.492 373 D N 2.768 123.055 120.400 -0.190 0.000 2.477 373 D HA 0.379 5.023 4.640 0.008 0.000 0.239 373 D C -2.037 174.154 176.300 -0.181 0.000 1.102 373 D CA -2.125 51.812 54.000 -0.105 0.000 0.901 373 D CB 1.331 42.118 40.800 -0.023 0.000 1.026 373 D HN 0.344 nan 8.370 nan 0.000 0.515 374 P HA -0.081 nan 4.420 nan 0.000 0.225 374 P C 1.434 178.737 177.300 0.005 0.000 1.156 374 P CA 0.589 63.395 63.100 -0.491 0.000 0.787 374 P CB 0.192 31.001 31.700 -1.485 0.000 0.802 375 S N -0.345 115.473 115.700 0.197 0.000 2.400 375 S HA -0.178 4.297 4.470 0.008 0.000 0.232 375 S C 1.894 176.593 174.600 0.166 0.000 1.025 375 S CA 1.091 59.449 58.200 0.264 0.000 0.993 375 S CB -1.393 61.908 63.200 0.167 0.000 0.808 375 S HN -0.077 nan 8.310 nan 0.000 0.478 376 I N 2.333 122.961 120.570 0.098 0.000 2.127 376 I HA -0.153 4.021 4.170 0.008 0.000 0.241 376 I C 2.714 178.902 176.117 0.118 0.000 1.075 376 I CA 1.731 63.083 61.300 0.086 0.000 1.334 376 I CB -1.768 36.259 38.000 0.044 0.000 1.040 376 I HN 0.331 nan 8.210 nan 0.000 0.405 377 E N 1.015 121.279 120.200 0.106 0.000 2.085 377 E HA -0.147 4.207 4.350 0.008 0.000 0.194 377 E C 2.340 179.086 176.600 0.245 0.000 0.994 377 E CA 1.402 57.889 56.400 0.145 0.000 0.801 377 E CB -0.673 29.090 29.700 0.104 0.000 0.743 377 E HN 0.577 nan 8.360 nan 0.000 0.453 378 G N 0.546 109.536 108.800 0.317 0.000 2.421 378 G HA2 -0.243 3.721 3.960 0.008 0.000 0.216 378 G HA3 -0.243 3.721 3.960 0.008 0.000 0.216 378 G C 1.539 176.654 174.900 0.358 0.000 1.171 378 G CA 0.672 46.019 45.100 0.413 0.000 0.775 378 G HN 0.148 nan 8.290 nan 0.000 0.543 379 L N 1.243 122.636 121.223 0.284 0.000 2.056 379 L HA -0.052 4.293 4.340 0.008 0.000 0.207 379 L C 2.761 179.811 176.870 0.300 0.000 1.078 379 L CA 1.647 56.674 54.840 0.312 0.000 0.749 379 L CB -0.430 41.767 42.059 0.230 0.000 0.901 379 L HN 0.397 nan 8.230 nan 0.000 0.433 380 D N -1.396 119.141 120.400 0.228 0.000 2.224 380 D HA -0.210 4.434 4.640 0.008 0.000 0.205 380 D C 1.753 178.171 176.300 0.195 0.000 0.965 380 D CA 0.820 54.928 54.000 0.181 0.000 0.852 380 D CB -0.608 40.270 40.800 0.129 0.000 0.947 380 D HN 0.236 nan 8.370 nan 0.000 0.494 381 N N -0.211 118.646 118.700 0.261 0.000 2.084 381 N HA -0.203 4.542 4.740 0.008 0.000 0.190 381 N C 1.686 177.438 175.510 0.404 0.000 1.030 381 N CA 1.263 54.487 53.050 0.290 0.000 0.849 381 N CB -0.392 38.307 38.487 0.354 0.000 1.012 381 N HN 0.485 nan 8.380 nan 0.000 0.423 382 W N 2.131 123.616 121.300 0.308 0.000 2.335 382 W HA -0.197 4.467 4.660 0.006 0.000 0.311 382 W C 2.024 178.675 176.519 0.221 0.000 1.213 382 W CA 0.977 58.502 57.345 0.300 0.000 1.274 382 W CB -0.195 29.376 29.460 0.185 0.000 1.148 382 W HN 0.131 nan 8.180 nan 0.000 0.498 383 R N 0.317 120.801 120.500 -0.027 0.000 2.081 383 R HA -0.162 4.183 4.340 0.008 0.000 0.235 383 R C 2.333 178.526 176.300 -0.179 0.000 1.131 383 R CA 1.741 57.719 56.100 -0.204 0.000 0.960 383 R CB -0.517 29.766 30.300 -0.027 0.000 0.856 383 R HN 0.186 nan 8.270 nan 0.000 0.436 384 K N 0.066 120.430 120.400 -0.060 0.000 2.097 384 K HA -0.084 4.241 4.320 0.008 0.000 0.206 384 K C 2.058 178.579 176.600 -0.130 0.000 1.049 384 K CA 1.382 57.620 56.287 -0.083 0.000 0.933 384 K CB -0.025 32.446 32.500 -0.048 0.000 0.717 384 K HN 0.152 nan 8.250 nan 0.000 0.442 385 A N 1.171 123.941 122.820 -0.082 0.000 1.935 385 A HA -0.080 4.244 4.320 0.008 0.000 0.214 385 A C 2.037 179.525 177.584 -0.160 0.000 1.178 385 A CA 0.745 52.748 52.037 -0.056 0.000 0.640 385 A CB -0.293 18.807 19.000 0.167 0.000 0.825 385 A HN 0.181 nan 8.150 nan 0.000 0.447 386 R N 0.701 120.928 120.500 -0.456 0.000 2.091 386 R HA -0.209 4.136 4.340 0.008 0.000 0.238 386 R C 2.396 178.491 176.300 -0.341 0.000 1.136 386 R CA 1.878 57.561 56.100 -0.696 0.000 0.959 386 R CB -0.338 29.148 30.300 -1.356 0.000 0.856 386 R HN 0.661 nan 8.270 nan 0.000 0.437 387 R N -0.237 120.099 120.500 -0.272 0.000 2.120 387 R HA -0.024 4.321 4.340 0.008 0.000 0.234 387 R C 2.024 178.238 176.300 -0.143 0.000 1.123 387 R CA 1.387 57.383 56.100 -0.172 0.000 0.975 387 R CB -0.477 29.747 30.300 -0.126 0.000 0.866 387 R HN 0.204 nan 8.270 nan 0.000 0.446 388 A N 1.714 124.434 122.820 -0.167 0.000 1.930 388 A HA 0.049 4.373 4.320 0.008 0.000 0.215 388 A C 2.218 179.731 177.584 -0.119 0.000 1.176 388 A CA 0.853 52.783 52.037 -0.178 0.000 0.632 388 A CB -0.333 18.516 19.000 -0.252 0.000 0.819 388 A HN 0.280 nan 8.150 nan 0.000 0.445 389 I N 0.058 120.580 120.570 -0.080 0.000 2.264 389 I HA -0.267 3.907 4.170 0.008 0.000 0.248 389 I C 2.214 178.329 176.117 -0.004 0.000 1.111 389 I CA 0.981 62.275 61.300 -0.011 0.000 1.382 389 I CB -0.265 37.767 38.000 0.054 0.000 1.060 389 I HN 0.308 nan 8.210 nan 0.000 0.418 390 L N 0.181 121.399 121.223 -0.008 0.000 2.079 390 L HA -0.197 4.148 4.340 0.008 0.000 0.210 390 L C 2.582 179.479 176.870 0.046 0.000 1.081 390 L CA 1.128 56.014 54.840 0.076 0.000 0.752 390 L CB -0.593 41.493 42.059 0.045 0.000 0.896 390 L HN 0.280 nan 8.230 nan 0.000 0.433 391 R N -1.007 119.485 120.500 -0.014 0.000 2.200 391 R HA 0.128 4.473 4.340 0.008 0.000 0.208 391 R C 0.731 177.041 176.300 0.017 0.000 1.033 391 R CA 0.316 56.407 56.100 -0.015 0.000 1.000 391 R CB -0.132 30.156 30.300 -0.021 0.000 0.906 391 R HN 0.099 nan 8.270 nan 0.000 0.462 392 S N 1.188 116.896 115.700 0.013 0.000 2.446 392 S HA 0.369 4.844 4.470 0.008 0.000 0.230 392 S C -2.844 171.785 174.600 0.049 0.000 1.051 392 S CA -1.279 56.946 58.200 0.042 0.000 1.113 392 S CB 1.247 64.467 63.200 0.034 0.000 1.184 392 S HN -0.168 nan 8.310 nan 0.000 0.435 393 P HA 0.340 nan 4.420 nan 0.000 0.271 393 P C -0.497 176.900 177.300 0.162 0.000 1.216 393 P CA -0.337 62.797 63.100 0.056 0.000 0.776 393 P CB 0.313 32.007 31.700 -0.011 0.000 0.881 394 I N -1.514 119.208 120.570 0.253 0.000 2.562 394 I HA 0.415 4.590 4.170 0.008 0.000 0.301 394 I C 0.693 177.142 176.117 0.552 0.000 1.003 394 I CA -0.482 61.039 61.300 0.368 0.000 1.127 394 I CB 2.088 40.322 38.000 0.389 0.000 1.304 394 I HN 0.076 nan 8.210 nan 0.000 0.446 395 S N 3.619 119.595 115.700 0.460 0.000 2.387 395 S HA 0.126 4.600 4.470 0.008 0.000 0.226 395 S C 0.685 175.540 174.600 0.425 0.000 1.026 395 S CA 0.665 59.077 58.200 0.354 0.000 0.972 395 S CB -0.209 63.176 63.200 0.308 0.000 0.814 395 S HN 0.671 nan 8.310 nan 0.000 0.477 396 R N -0.123 120.663 120.500 0.477 0.000 2.808 396 R HA 0.668 5.012 4.340 0.008 0.000 0.272 396 R C -0.752 175.529 176.300 -0.031 0.000 0.995 396 R CA -0.565 55.668 56.100 0.221 0.000 0.917 396 R CB 1.836 32.254 30.300 0.195 0.000 1.217 396 R HN 0.268 nan 8.270 nan 0.000 0.471 397 M N -1.162 118.150 119.600 -0.481 0.000 2.745 397 M HA 0.922 5.406 4.480 0.008 0.000 0.290 397 M C -0.446 175.458 176.300 -0.660 0.000 1.262 397 M CA -0.628 54.334 55.300 -0.563 0.000 0.795 397 M CB 2.690 34.532 32.600 -1.263 0.000 1.758 397 M HN 0.664 nan 8.290 nan 0.000 0.461 398 G N -0.426 107.927 108.800 -0.745 0.000 2.315 398 G HA2 0.492 4.457 3.960 0.008 0.000 0.294 398 G HA3 0.492 4.457 3.960 0.008 0.000 0.294 398 G C -2.594 171.814 174.900 -0.821 0.000 1.300 398 G CA -0.770 43.774 45.100 -0.926 0.000 0.843 398 G HN 0.785 nan 8.290 nan 0.000 0.527 399 Y N -1.088 118.982 120.300 -0.384 0.000 2.638 399 Y HA 0.772 5.326 4.550 0.006 0.000 0.339 399 Y C 0.771 176.408 175.900 -0.438 0.000 1.084 399 Y CA 0.014 57.883 58.100 -0.385 0.000 1.068 399 Y CB 2.539 40.674 38.460 -0.542 0.000 1.294 399 Y HN 0.974 nan 8.280 nan 0.000 0.480 400 G N -0.741 107.808 108.800 -0.418 0.000 2.658 400 G HA2 0.629 4.594 3.960 0.008 0.000 0.292 400 G HA3 0.629 4.594 3.960 0.008 0.000 0.292 400 G C -0.350 173.903 174.900 -1.079 0.000 1.320 400 G CA -0.351 44.476 45.100 -0.455 0.000 0.933 400 G HN 1.248 nan 8.290 nan 0.000 0.476 401 G N -1.135 107.107 108.800 -0.931 0.000 2.416 401 G HA2 0.062 4.027 3.960 0.008 0.000 0.203 401 G HA3 0.062 4.027 3.960 0.008 0.000 0.203 401 G C -1.152 173.448 174.900 -0.501 0.000 1.227 401 G CA -0.637 43.859 45.100 -1.007 0.000 1.041 401 G HN 0.930 nan 8.290 nan 0.000 0.546 402 Y N 0.807 121.083 120.300 -0.040 0.000 2.477 402 Y HA 0.483 5.037 4.550 0.007 0.000 0.349 402 Y C 1.631 177.524 175.900 -0.013 0.000 0.977 402 Y CA -0.267 57.807 58.100 -0.043 0.000 1.214 402 Y CB 1.209 39.601 38.460 -0.114 0.000 1.124 402 Y HN 0.554 nan 8.280 nan 0.000 0.521 403 L N 2.284 123.601 121.223 0.157 0.000 2.187 403 L HA -0.224 4.120 4.340 0.008 0.000 0.213 403 L C 2.304 179.126 176.870 -0.080 0.000 1.100 403 L CA 2.123 57.055 54.840 0.153 0.000 0.765 403 L CB -0.578 41.629 42.059 0.246 0.000 0.904 403 L HN 0.737 nan 8.230 nan 0.000 0.437 404 S N -1.756 113.686 115.700 -0.430 0.000 2.383 404 S HA -0.161 4.313 4.470 0.008 0.000 0.227 404 S C 1.944 176.453 174.600 -0.151 0.000 1.026 404 S CA 1.079 58.941 58.200 -0.563 0.000 0.981 404 S CB -0.650 62.062 63.200 -0.813 0.000 0.818 404 S HN 0.300 nan 8.310 nan 0.000 0.472 405 L N 1.969 123.102 121.223 -0.151 0.000 2.072 405 L HA 0.267 4.611 4.340 0.008 0.000 0.205 405 L C 2.984 179.750 176.870 -0.174 0.000 1.079 405 L CA 1.474 56.250 54.840 -0.107 0.000 0.752 405 L CB -1.378 40.582 42.059 -0.165 0.000 0.906 405 L HN 0.442 nan 8.230 nan 0.000 0.436 406 A N -0.834 121.659 122.820 -0.545 0.000 1.969 406 A HA -0.089 4.236 4.320 0.008 0.000 0.218 406 A C 2.407 180.043 177.584 0.087 0.000 1.169 406 A CA 1.471 53.152 52.037 -0.593 0.000 0.635 406 A CB -0.792 17.486 19.000 -1.203 0.000 0.810 406 A HN 0.368 nan 8.150 nan 0.000 0.445 407 A N -0.138 122.740 122.820 0.097 0.000 2.067 407 A HA -0.085 4.240 4.320 0.008 0.000 0.219 407 A C 1.903 179.597 177.584 0.183 0.000 1.158 407 A CA 1.456 53.594 52.037 0.167 0.000 0.661 407 A CB -0.349 18.793 19.000 0.236 0.000 0.801 407 A HN 0.554 nan 8.150 nan 0.000 0.452 408 K N -1.457 119.077 120.400 0.224 0.000 2.486 408 K HA 0.093 4.417 4.320 0.008 0.000 0.194 408 K C -0.848 175.715 176.600 -0.061 0.000 1.033 408 K CA 0.325 56.659 56.287 0.080 0.000 1.004 408 K CB 0.006 32.515 32.500 0.015 0.000 0.798 408 K HN 0.505 nan 8.250 nan 0.000 0.495 409 F N 1.518 121.555 119.950 0.145 0.000 2.453 409 F HA 0.204 4.735 4.527 0.006 0.000 0.358 409 F C -1.669 174.244 175.800 0.188 0.000 1.129 409 F CA -2.380 55.719 58.000 0.166 0.000 1.200 409 F CB 1.406 40.538 39.000 0.221 0.000 1.431 409 F HN -0.130 nan 8.300 nan 0.000 0.503 410 P HA -0.238 nan 4.420 nan 0.000 0.218 410 P C 1.625 179.029 177.300 0.174 0.000 1.148 410 P CA 1.427 64.619 63.100 0.153 0.000 0.822 410 P CB 0.372 32.113 31.700 0.068 0.000 0.784 411 K N -0.980 119.532 120.400 0.188 0.000 2.057 411 K HA -0.155 4.170 4.320 0.008 0.000 0.207 411 K C 2.114 178.831 176.600 0.195 0.000 1.049 411 K CA 1.013 57.396 56.287 0.160 0.000 0.931 411 K CB -0.580 32.005 32.500 0.141 0.000 0.714 411 K HN -0.070 nan 8.250 nan 0.000 0.440 412 F N 1.205 121.249 119.950 0.156 0.000 2.126 412 F HA -0.215 4.316 4.527 0.006 0.000 0.299 412 F C 1.793 177.685 175.800 0.154 0.000 1.096 412 F CA 1.235 59.310 58.000 0.125 0.000 1.255 412 F CB -0.292 38.795 39.000 0.146 0.000 0.997 412 F HN -0.204 nan 8.300 nan 0.000 0.479 413 V N 0.363 120.428 119.914 0.251 0.000 2.343 413 V HA -0.302 3.822 4.120 0.008 0.000 0.247 413 V C 2.077 178.307 176.094 0.227 0.000 1.051 413 V CA 2.221 64.709 62.300 0.314 0.000 1.036 413 V CB -0.699 31.303 31.823 0.299 0.000 0.654 413 V HN 0.287 nan 8.190 nan 0.000 0.451 414 D N -0.230 120.236 120.400 0.111 0.000 2.144 414 D HA -0.119 4.526 4.640 0.008 0.000 0.200 414 D C 2.299 178.600 176.300 0.001 0.000 0.978 414 D CA 1.724 55.766 54.000 0.070 0.000 0.833 414 D CB -0.363 40.467 40.800 0.051 0.000 0.961 414 D HN 0.401 nan 8.370 nan 0.000 0.470 415 T N 0.602 115.103 114.554 -0.087 0.000 2.684 415 T HA -0.111 4.244 4.350 0.008 0.000 0.267 415 T C 2.262 176.813 174.700 -0.248 0.000 1.036 415 T CA 0.974 62.992 62.100 -0.137 0.000 1.148 415 T CB -0.408 68.352 68.868 -0.179 0.000 0.863 415 T HN -0.019 nan 8.240 nan 0.000 0.436 416 V N 1.706 121.297 119.914 -0.538 0.000 2.407 416 V HA -0.196 3.928 4.120 0.008 0.000 0.248 416 V C 2.772 178.521 176.094 -0.575 0.000 1.055 416 V CA 2.025 63.871 62.300 -0.757 0.000 1.049 416 V CB -1.291 29.645 31.823 -1.478 0.000 0.662 416 V HN 0.555 nan 8.190 nan 0.000 0.455 417 T N -0.723 113.683 114.554 -0.247 0.000 2.720 417 T HA -0.278 4.077 4.350 0.008 0.000 0.268 417 T C 1.850 176.506 174.700 -0.074 0.000 1.037 417 T CA 2.233 64.319 62.100 -0.024 0.000 1.144 417 T CB -0.387 68.570 68.868 0.148 0.000 0.864 417 T HN 0.796 nan 8.240 nan 0.000 0.444 418 H N 0.893 119.883 119.070 -0.133 0.000 2.357 418 H HA 0.105 4.666 4.556 0.008 0.000 0.301 418 H C 2.046 177.265 175.328 -0.182 0.000 1.082 418 H CA 1.262 57.248 56.048 -0.103 0.000 1.342 418 H CB -0.506 29.223 29.762 -0.055 0.000 1.389 418 H HN 0.317 nan 8.280 nan 0.000 0.511 419 I N 0.640 120.959 120.570 -0.419 0.000 2.163 419 I HA -0.287 3.887 4.170 0.008 0.000 0.243 419 I C 2.766 178.478 176.117 -0.674 0.000 1.085 419 I CA 1.224 62.083 61.300 -0.736 0.000 1.347 419 I CB -0.587 37.011 38.000 -0.671 0.000 1.044 419 I HN 0.498 nan 8.210 nan 0.000 0.408 420 A N 0.863 123.427 122.820 -0.426 0.000 1.902 420 A HA -0.210 4.115 4.320 0.008 0.000 0.217 420 A C 2.069 179.565 177.584 -0.147 0.000 1.181 420 A CA 1.910 53.795 52.037 -0.252 0.000 0.623 420 A CB -0.660 18.170 19.000 -0.283 0.000 0.818 420 A HN 0.422 nan 8.150 nan 0.000 0.443 421 N N -0.304 118.290 118.700 -0.176 0.000 2.120 421 N HA -0.157 4.588 4.740 0.008 0.000 0.188 421 N C 1.734 177.191 175.510 -0.087 0.000 1.024 421 N CA 1.535 54.524 53.050 -0.102 0.000 0.852 421 N CB -0.407 38.032 38.487 -0.079 0.000 1.003 421 N HN 0.759 nan 8.380 nan 0.000 0.424 422 E N -0.178 119.909 120.200 -0.188 0.000 2.072 422 E HA -0.149 4.205 4.350 0.008 0.000 0.191 422 E C 1.785 178.423 176.600 0.063 0.000 0.985 422 E CA 0.511 56.871 56.400 -0.066 0.000 0.801 422 E CB -0.143 29.475 29.700 -0.136 0.000 0.750 422 E HN 0.253 nan 8.360 nan 0.000 0.452 423 F N 1.600 121.414 119.950 -0.227 0.000 2.065 423 F HA -0.236 4.295 4.527 0.007 0.000 0.298 423 F C 2.351 178.213 175.800 0.103 0.000 1.112 423 F CA 1.869 59.829 58.000 -0.066 0.000 1.212 423 F CB -0.010 38.820 39.000 -0.283 0.000 0.975 423 F HN -0.100 nan 8.300 nan 0.000 0.476 424 R N -0.235 120.418 120.500 0.255 0.000 2.092 424 R HA -0.173 4.171 4.340 0.008 0.000 0.231 424 R C 1.932 178.256 176.300 0.039 0.000 1.119 424 R CA 1.573 57.774 56.100 0.167 0.000 0.970 424 R CB -0.764 29.611 30.300 0.125 0.000 0.864 424 R HN 0.338 nan 8.270 nan 0.000 0.440 425 D N 0.783 121.181 120.400 -0.003 0.000 2.123 425 D HA -0.143 4.502 4.640 0.008 0.000 0.196 425 D C 1.727 177.922 176.300 -0.175 0.000 0.992 425 D CA 1.126 55.072 54.000 -0.090 0.000 0.833 425 D CB 0.023 40.785 40.800 -0.064 0.000 0.954 425 D HN 0.129 nan 8.370 nan 0.000 0.455 426 I N -0.055 120.470 120.570 -0.074 0.000 2.127 426 I HA -0.285 3.889 4.170 0.008 0.000 0.241 426 I C 2.360 178.306 176.117 -0.285 0.000 1.075 426 I CA 1.136 62.366 61.300 -0.117 0.000 1.334 426 I CB -0.423 37.577 38.000 0.000 0.000 1.040 426 I HN 0.243 nan 8.210 nan 0.000 0.405 427 H N 0.647 119.590 119.070 -0.212 0.000 2.352 427 H HA -0.182 4.379 4.556 0.008 0.000 0.299 427 H C 1.803 177.021 175.328 -0.185 0.000 1.097 427 H CA 1.742 57.682 56.048 -0.180 0.000 1.311 427 H CB -0.242 29.443 29.762 -0.128 0.000 1.377 427 H HN 0.377 nan 8.280 nan 0.000 0.504 428 D N 0.323 120.678 120.400 -0.075 0.000 2.144 428 D HA -0.093 4.551 4.640 0.008 0.000 0.199 428 D C 2.297 178.460 176.300 -0.227 0.000 0.984 428 D CA 0.825 54.750 54.000 -0.125 0.000 0.834 428 D CB -0.065 40.661 40.800 -0.124 0.000 0.955 428 D HN 0.384 nan 8.370 nan 0.000 0.465 429 R N -0.348 119.920 120.500 -0.386 0.000 2.127 429 R HA 0.019 4.363 4.340 0.008 0.000 0.217 429 R C 2.055 178.078 176.300 -0.463 0.000 1.074 429 R CA 1.396 57.181 56.100 -0.525 0.000 0.991 429 R CB 0.060 29.765 30.300 -0.992 0.000 0.895 429 R HN 0.221 nan 8.270 nan 0.000 0.450 430 T N -4.159 110.123 114.554 -0.454 0.000 3.001 430 T HA 0.211 4.565 4.350 0.008 0.000 0.251 430 T C 1.346 175.915 174.700 -0.217 0.000 1.040 430 T CA 0.390 62.222 62.100 -0.448 0.000 0.985 430 T CB 1.035 69.464 68.868 -0.732 0.000 1.011 430 T HN 0.305 nan 8.240 nan 0.000 0.509 431 G N 1.347 110.063 108.800 -0.140 0.000 2.160 431 G HA2 0.099 4.063 3.960 0.008 0.000 0.251 431 G HA3 0.099 4.063 3.960 0.008 0.000 0.251 431 G C 1.107 176.025 174.900 0.030 0.000 1.008 431 G CA 0.384 45.468 45.100 -0.028 0.000 0.724 431 G HN 1.784 nan 8.290 nan 0.000 0.514 432 G N -2.558 106.231 108.800 -0.018 0.000 2.179 432 G HA2 -0.010 3.954 3.960 0.008 0.000 0.257 432 G HA3 -0.010 3.954 3.960 0.008 0.000 0.257 432 G C 0.410 175.336 174.900 0.044 0.000 1.010 432 G CA 0.627 45.738 45.100 0.017 0.000 0.736 432 G HN 1.663 nan 8.290 nan 0.000 0.513 433 V N 0.666 120.603 119.914 0.038 0.000 2.546 433 V HA 0.682 4.806 4.120 0.008 0.000 0.284 433 V C 1.117 177.322 176.094 0.186 0.000 1.050 433 V CA -0.277 62.081 62.300 0.096 0.000 0.981 433 V CB 1.369 33.250 31.823 0.098 0.000 0.990 433 V HN 1.056 nan 8.190 nan 0.000 0.474 434 A N 3.976 126.877 122.820 0.136 0.000 2.407 434 A HA 0.666 4.991 4.320 0.008 0.000 0.248 434 A C 0.729 178.330 177.584 0.028 0.000 1.082 434 A CA 0.198 52.303 52.037 0.114 0.000 0.785 434 A CB 0.172 19.203 19.000 0.051 0.000 1.020 434 A HN 1.398 nan 8.150 nan 0.000 0.489 435 A N 1.118 123.832 122.820 -0.176 0.000 2.483 435 A HA 0.363 4.688 4.320 0.008 0.000 0.238 435 A C 0.627 177.983 177.584 -0.379 0.000 1.070 435 A CA 0.110 51.724 52.037 -0.703 0.000 0.770 435 A CB -0.085 18.452 19.000 -0.773 0.000 1.008 435 A HN 0.924 nan 8.150 nan 0.000 0.497 436 E N 1.247 121.184 120.200 -0.440 0.000 2.415 436 E HA 0.280 4.635 4.350 0.008 0.000 0.263 436 E C 0.402 176.919 176.600 -0.138 0.000 0.995 436 E CA 0.199 56.449 56.400 -0.250 0.000 0.915 436 E CB 0.398 29.923 29.700 -0.293 0.000 0.951 436 E HN 0.691 nan 8.360 nan 0.000 0.449 437 G N 3.609 112.373 108.800 -0.059 0.000 2.356 437 G HA2 0.106 4.070 3.960 0.008 0.000 0.322 437 G HA3 0.106 4.070 3.960 0.008 0.000 0.322 437 G C 0.269 175.191 174.900 0.037 0.000 1.125 437 G CA -0.515 44.581 45.100 -0.006 0.000 0.885 437 G HN 0.622 nan 8.290 nan 0.000 0.467 438 E N 1.037 121.288 120.200 0.084 0.000 2.299 438 E HA 0.101 4.456 4.350 0.008 0.000 0.193 438 E C 0.732 177.339 176.600 0.011 0.000 0.998 438 E CA 0.561 57.045 56.400 0.141 0.000 0.851 438 E CB 0.269 30.194 29.700 0.376 0.000 0.795 438 E HN 0.397 nan 8.360 nan 0.000 0.492 439 L N 0.719 121.896 121.223 -0.076 0.000 2.424 439 L HA 0.380 4.725 4.340 0.008 0.000 0.258 439 L C -0.608 176.216 176.870 -0.077 0.000 0.995 439 L CA -0.941 53.815 54.840 -0.140 0.000 0.821 439 L CB 1.941 43.804 42.059 -0.327 0.000 1.383 439 L HN -0.248 nan 8.230 nan 0.000 0.410 440 N N 1.361 120.029 118.700 -0.054 0.000 2.444 440 N HA 0.456 5.201 4.740 0.008 0.000 0.262 440 N C -1.086 174.390 175.510 -0.057 0.000 0.974 440 N CA -0.234 52.790 53.050 -0.043 0.000 0.933 440 N CB 2.363 40.842 38.487 -0.014 0.000 1.137 440 N HN 0.152 nan 8.380 nan 0.000 0.498 441 V N 1.138 120.991 119.914 -0.101 0.000 2.448 441 V HA 0.726 4.851 4.120 0.008 0.000 0.295 441 V C -0.148 175.810 176.094 -0.226 0.000 1.025 441 V CA -0.927 61.290 62.300 -0.137 0.000 0.859 441 V CB 1.486 33.224 31.823 -0.142 0.000 0.988 441 V HN 0.716 nan 8.190 nan 0.000 0.431 442 A N 6.190 128.874 122.820 -0.227 0.000 2.304 442 A HA 0.791 5.116 4.320 0.008 0.000 0.314 442 A C -0.565 176.815 177.584 -0.340 0.000 1.187 442 A CA -0.545 51.305 52.037 -0.311 0.000 0.810 442 A CB 0.640 19.491 19.000 -0.249 0.000 1.183 442 A HN 0.760 nan 8.150 nan 0.000 0.487 443 I N 3.158 123.438 120.570 -0.483 0.000 2.352 443 I HA 0.163 4.338 4.170 0.008 0.000 0.290 443 I C -0.566 175.392 176.117 -0.265 0.000 1.036 443 I CA -0.383 60.697 61.300 -0.366 0.000 1.336 443 I CB 1.176 38.912 38.000 -0.439 0.000 1.407 443 I HN 0.536 nan 8.210 nan 0.000 0.497 444 L N 8.994 130.080 121.223 -0.228 0.000 2.287 444 L HA 0.486 4.831 4.340 0.008 0.000 0.287 444 L C -0.502 176.145 176.870 -0.371 0.000 1.022 444 L CA 0.196 54.833 54.840 -0.337 0.000 0.814 444 L CB 0.744 42.639 42.059 -0.274 0.000 1.217 444 L HN 0.813 nan 8.230 nan 0.000 0.420 445 N N 0.952 119.323 118.700 -0.548 0.000 3.364 445 N HA 0.310 5.055 4.740 0.008 0.000 0.294 445 N C -0.217 175.018 175.510 -0.458 0.000 1.562 445 N CA -0.243 52.583 53.050 -0.373 0.000 0.862 445 N CB 0.473 38.942 38.487 -0.030 0.000 1.691 445 N HN 0.147 nan 8.380 nan 0.000 0.572 446 S N -1.470 114.097 115.700 -0.222 0.000 2.461 446 S HA 0.062 4.536 4.470 0.008 0.000 0.228 446 S C 0.678 175.031 174.600 -0.412 0.000 1.005 446 S CA 0.524 58.563 58.200 -0.267 0.000 0.942 446 S CB -0.461 62.443 63.200 -0.494 0.000 0.776 446 S HN 0.568 nan 8.310 nan 0.000 0.514 447 W N 1.711 122.883 121.300 -0.213 0.000 2.526 447 W HA 0.337 5.001 4.660 0.008 0.000 0.294 447 W C 1.861 178.271 176.519 -0.182 0.000 1.181 447 W CA 0.549 57.772 57.345 -0.203 0.000 1.373 447 W CB -0.730 28.579 29.460 -0.252 0.000 1.112 447 W HN 0.457 nan 8.180 nan 0.000 0.545 448 G N 0.940 109.760 108.800 0.034 0.000 2.547 448 G HA2 -0.482 3.482 3.960 0.008 0.000 0.271 448 G HA3 -0.482 3.482 3.960 0.008 0.000 0.271 448 G C 0.880 175.767 174.900 -0.022 0.000 1.209 448 G CA 0.842 45.928 45.100 -0.022 0.000 0.959 448 G HN 0.231 nan 8.290 nan 0.000 0.563 449 K N 0.566 120.960 120.400 -0.010 0.000 2.097 449 K HA -0.056 4.269 4.320 0.008 0.000 0.206 449 K C 2.826 179.373 176.600 -0.089 0.000 1.049 449 K CA 2.388 58.660 56.287 -0.026 0.000 0.933 449 K CB -0.331 32.194 32.500 0.041 0.000 0.717 449 K HN 0.673 nan 8.250 nan 0.000 0.442 450 M N -0.894 118.695 119.600 -0.018 0.000 2.446 450 M HA -0.046 4.439 4.480 0.008 0.000 0.263 450 M C 0.535 176.744 176.300 -0.153 0.000 1.066 450 M CA 1.361 56.658 55.300 -0.004 0.000 1.087 450 M CB 0.177 32.798 32.600 0.036 0.000 1.406 450 M HN -0.112 nan 8.290 nan 0.000 0.459 451 R N 1.481 121.799 120.500 -0.303 0.000 2.816 451 R HA 0.387 4.731 4.340 0.008 0.000 0.382 451 R C -0.619 175.228 176.300 -0.756 0.000 1.140 451 R CA -0.112 55.695 56.100 -0.487 0.000 1.050 451 R CB 0.244 30.189 30.300 -0.591 0.000 1.396 451 R HN 0.288 nan 8.270 nan 0.000 0.583 452 S N 0.482 115.560 115.700 -1.037 0.000 2.544 452 S HA -0.072 4.403 4.470 0.008 0.000 0.290 452 S C 0.205 174.033 174.600 -1.285 0.000 1.276 452 S CA 0.105 57.295 58.200 -1.684 0.000 1.075 452 S CB 0.036 62.388 63.200 -1.414 0.000 0.849 452 S HN 0.605 nan 8.310 nan 0.000 0.494 453 W N 0.491 120.822 121.300 -1.614 0.000 2.589 453 W HA -0.291 4.373 4.660 0.007 0.000 0.272 453 W C 0.891 177.218 176.519 -0.320 0.000 1.060 453 W CA 0.241 57.225 57.345 -0.601 0.000 0.533 453 W CB -1.944 27.366 29.460 -0.249 0.000 2.084 453 W HN 0.614 nan 8.180 nan 0.000 1.371 454 M N -0.421 119.010 119.600 -0.282 0.000 2.313 454 M HA 0.333 4.817 4.480 0.008 0.000 0.273 454 M C 1.351 177.555 176.300 -0.159 0.000 1.049 454 M CA 0.389 55.692 55.300 0.006 0.000 1.004 454 M CB 0.269 32.866 32.600 -0.005 0.000 1.461 454 M HN 0.092 nan 8.290 nan 0.000 0.514 455 A N 0.093 122.670 122.820 -0.406 0.000 2.462 455 A HA 0.380 4.704 4.320 0.008 0.000 0.243 455 A C 0.013 177.094 177.584 -0.838 0.000 1.076 455 A CA 0.083 51.579 52.037 -0.901 0.000 0.773 455 A CB -0.368 17.890 19.000 -1.236 0.000 1.010 455 A HN 0.605 nan 8.150 nan 0.000 0.493 456 F N -0.676 118.637 119.950 -1.063 0.000 2.656 456 F HA -0.190 4.342 4.527 0.009 0.000 0.381 456 F C 0.890 176.926 175.800 0.393 0.000 0.603 456 F CA 0.988 58.719 58.000 -0.449 0.000 1.335 456 F CB -2.554 36.370 39.000 -0.127 0.000 1.836 456 F HN 0.521 nan 8.300 nan 0.000 0.290 457 T N 0.695 115.571 114.554 0.537 0.000 2.856 457 T HA 0.581 4.936 4.350 0.008 0.000 0.292 457 T C 1.115 176.245 174.700 0.717 0.000 0.980 457 T CA -0.002 62.430 62.100 0.554 0.000 1.091 457 T CB 2.432 71.599 68.868 0.499 0.000 0.936 457 T HN -0.012 nan 8.240 nan 0.000 0.503 458 V N 1.601 121.765 119.914 0.416 0.000 3.204 458 V HA 0.478 4.602 4.120 0.008 0.000 0.218 458 V C 1.024 177.187 176.094 0.115 0.000 1.159 458 V CA 0.096 62.582 62.300 0.310 0.000 1.282 458 V CB -0.441 31.475 31.823 0.156 0.000 1.225 458 V HN 0.924 nan 8.190 nan 0.000 0.509 459 A N -0.085 122.729 122.820 -0.010 0.000 2.310 459 A HA 0.423 4.747 4.320 0.008 0.000 0.299 459 A C -0.020 177.392 177.584 -0.286 0.000 1.147 459 A CA -0.254 51.707 52.037 -0.127 0.000 0.818 459 A CB -0.091 18.851 19.000 -0.097 0.000 1.096 459 A HN 0.581 nan 8.150 nan 0.000 0.495 460 H N 1.928 120.602 119.070 -0.660 0.000 3.070 460 H HA 0.189 4.750 4.556 0.008 0.000 0.313 460 H C 1.114 176.105 175.328 -0.563 0.000 0.997 460 H CA 1.412 56.892 56.048 -0.945 0.000 1.438 460 H CB 0.395 29.153 29.762 -1.673 0.000 1.455 460 H HN 1.457 nan 8.280 nan 0.000 0.575 461 A N 4.550 126.842 122.820 -0.879 0.000 2.816 461 A HA -0.200 4.125 4.320 0.008 0.000 0.270 461 A C 0.189 177.548 177.584 -0.375 0.000 1.413 461 A CA 1.156 52.840 52.037 -0.588 0.000 0.866 461 A CB -1.989 16.695 19.000 -0.527 0.000 1.032 461 A HN 0.663 nan 8.150 nan 0.000 0.642 462 L N 0.491 121.492 121.223 -0.369 0.000 2.637 462 L HA 0.303 4.647 4.340 0.008 0.000 0.241 462 L C -1.996 174.713 176.870 -0.269 0.000 1.398 462 L CA -1.660 53.024 54.840 -0.260 0.000 0.895 462 L CB 1.039 42.990 42.059 -0.180 0.000 1.183 462 L HN 0.236 nan 8.230 nan 0.000 0.497 463 P HA 0.128 nan 4.420 nan 0.000 0.269 463 P C -1.011 176.220 177.300 -0.114 0.000 1.215 463 P CA 0.015 62.946 63.100 -0.283 0.000 0.780 463 P CB 0.974 32.472 31.700 -0.337 0.000 0.898 464 N N -0.204 118.482 118.700 -0.023 0.000 3.229 464 N HA 0.203 4.948 4.740 0.008 0.000 0.315 464 N C 0.786 176.334 175.510 0.062 0.000 1.520 464 N CA -0.970 52.061 53.050 -0.032 0.000 0.769 464 N CB 0.493 38.952 38.487 -0.046 0.000 1.766 464 N HN 0.263 nan 8.380 nan 0.000 0.618 465 K N -0.720 119.689 120.400 0.015 0.000 2.074 465 K HA -0.221 4.104 4.320 0.008 0.000 0.209 465 K C 1.090 177.846 176.600 0.259 0.000 1.048 465 K CA 1.883 58.241 56.287 0.117 0.000 0.926 465 K CB -0.116 32.408 32.500 0.041 0.000 0.713 465 K HN 0.501 nan 8.250 nan 0.000 0.444 466 Q N -0.482 119.395 119.800 0.129 0.000 2.297 466 Q HA -0.062 4.283 4.340 0.008 0.000 0.204 466 Q C 1.790 177.891 176.000 0.168 0.000 0.962 466 Q CA 1.805 57.666 55.803 0.096 0.000 0.879 466 Q CB 0.291 29.005 28.738 -0.040 0.000 0.947 466 Q HN 0.646 nan 8.270 nan 0.000 0.462 467 T N -3.828 110.860 114.554 0.223 0.000 2.964 467 T HA -0.010 4.344 4.350 0.008 0.000 0.249 467 T C 1.685 176.558 174.700 0.289 0.000 1.000 467 T CA 0.120 62.439 62.100 0.365 0.000 0.992 467 T CB -0.538 68.558 68.868 0.380 0.000 1.087 467 T HN 0.390 nan 8.240 nan 0.000 0.489 468 Y N 2.217 122.558 120.300 0.068 0.000 2.333 468 Y HA 0.115 4.672 4.550 0.013 0.000 0.290 468 Y C 2.127 178.016 175.900 -0.017 0.000 1.144 468 Y CA 0.889 59.023 58.100 0.056 0.000 1.228 468 Y CB -0.708 37.764 38.460 0.020 0.000 0.985 468 Y HN 0.169 nan 8.280 nan 0.000 0.542 469 S N -0.328 114.891 115.700 -0.802 0.000 2.481 469 S HA -0.060 4.415 4.470 0.008 0.000 0.231 469 S C 0.890 175.008 174.600 -0.804 0.000 0.996 469 S CA 1.083 58.718 58.200 -0.940 0.000 0.942 469 S CB -0.375 62.190 63.200 -1.058 0.000 0.768 469 S HN 0.615 nan 8.310 nan 0.000 0.520 470 Y N -1.618 118.457 120.300 -0.374 0.000 2.559 470 Y HA 0.274 4.830 4.550 0.010 0.000 0.279 470 Y C 1.933 177.419 175.900 -0.690 0.000 1.117 470 Y CA -0.743 56.896 58.100 -0.768 0.000 1.263 470 Y CB -0.840 36.802 38.460 -1.362 0.000 1.230 470 Y HN 0.191 nan 8.280 nan 0.000 0.528 471 Y N 1.072 121.227 120.300 -0.243 0.000 2.256 471 Y HA -0.162 4.392 4.550 0.006 0.000 0.288 471 Y C 2.416 178.343 175.900 0.045 0.000 1.155 471 Y CA 1.546 59.665 58.100 0.031 0.000 1.203 471 Y CB -0.639 37.896 38.460 0.125 0.000 0.980 471 Y HN 0.118 nan 8.280 nan 0.000 0.530 472 G N -0.025 108.827 108.800 0.086 0.000 2.448 472 G HA2 -0.244 3.720 3.960 0.008 0.000 0.219 472 G HA3 -0.244 3.720 3.960 0.008 0.000 0.219 472 G C 1.667 176.589 174.900 0.036 0.000 1.127 472 G CA 1.175 46.328 45.100 0.088 0.000 0.766 472 G HN 0.505 nan 8.290 nan 0.000 0.552 473 I N 0.442 120.997 120.570 -0.025 0.000 2.127 473 I HA -0.195 3.980 4.170 0.008 0.000 0.241 473 I C 2.679 178.826 176.117 0.051 0.000 1.075 473 I CA 0.927 62.234 61.300 0.011 0.000 1.334 473 I CB -0.264 37.744 38.000 0.012 0.000 1.040 473 I HN 0.110 nan 8.210 nan 0.000 0.405 474 L N 0.024 121.268 121.223 0.036 0.000 2.056 474 L HA -0.189 4.155 4.340 0.008 0.000 0.207 474 L C 2.632 179.538 176.870 0.060 0.000 1.078 474 L CA 1.349 56.265 54.840 0.127 0.000 0.749 474 L CB -0.711 41.402 42.059 0.090 0.000 0.901 474 L HN 0.255 nan 8.230 nan 0.000 0.433 475 E N 0.573 120.653 120.200 -0.199 0.000 2.077 475 E HA -0.164 4.191 4.350 0.008 0.000 0.193 475 E C 2.234 178.721 176.600 -0.188 0.000 0.989 475 E CA 1.711 57.914 56.400 -0.328 0.000 0.800 475 E CB -0.011 29.399 29.700 -0.484 0.000 0.746 475 E HN 0.259 nan 8.360 nan 0.000 0.452 476 S N 0.129 115.895 115.700 0.110 0.000 2.359 476 S HA -0.132 4.343 4.470 0.008 0.000 0.224 476 S C 1.958 176.646 174.600 0.146 0.000 1.035 476 S CA 1.290 59.639 58.200 0.249 0.000 1.018 476 S CB -0.391 62.935 63.200 0.210 0.000 0.876 476 S HN 0.270 nan 8.310 nan 0.000 0.448 477 L N 1.963 123.277 121.223 0.153 0.000 2.131 477 L HA -0.116 4.229 4.340 0.008 0.000 0.210 477 L C 2.769 179.787 176.870 0.245 0.000 1.092 477 L CA 1.274 56.239 54.840 0.209 0.000 0.759 477 L CB -0.864 41.332 42.059 0.228 0.000 0.903 477 L HN 0.456 nan 8.230 nan 0.000 0.435 478 S N -0.249 115.523 115.700 0.120 0.000 2.383 478 S HA -0.140 4.335 4.470 0.008 0.000 0.229 478 S C 1.666 176.147 174.600 -0.199 0.000 1.030 478 S CA 1.254 59.296 58.200 -0.263 0.000 1.002 478 S CB -0.615 62.323 63.200 -0.437 0.000 0.829 478 S HN 0.436 nan 8.310 nan 0.000 0.467 479 G N 0.240 108.984 108.800 -0.093 0.000 3.651 479 G HA2 0.463 4.428 3.960 0.008 0.000 0.279 479 G HA3 0.463 4.428 3.960 0.008 0.000 0.279 479 G C -0.088 174.809 174.900 -0.006 0.000 1.024 479 G CA -0.543 44.515 45.100 -0.070 0.000 0.813 479 G HN 0.474 nan 8.290 nan 0.000 0.518 480 M N 1.308 120.933 119.600 0.042 0.000 2.274 480 M HA 0.315 4.799 4.480 0.008 0.000 0.344 480 M C 1.341 177.677 176.300 0.059 0.000 1.161 480 M CA -0.820 54.522 55.300 0.071 0.000 1.126 480 M CB 0.933 33.598 32.600 0.108 0.000 1.522 480 M HN 0.220 nan 8.290 nan 0.000 0.461 481 R N 2.761 123.304 120.500 0.072 0.000 3.441 481 R HA 0.193 4.538 4.340 0.008 0.000 0.225 481 R C -0.627 175.721 176.300 0.080 0.000 1.756 481 R CA -0.263 55.873 56.100 0.060 0.000 1.504 481 R CB -1.465 28.881 30.300 0.075 0.000 1.183 481 R HN 0.443 nan 8.270 nan 0.000 0.567 482 V N -2.552 117.396 119.914 0.058 0.000 3.074 482 V HA 0.479 4.604 4.120 0.008 0.000 0.314 482 V C -0.940 175.166 176.094 0.020 0.000 1.117 482 V CA -1.448 60.865 62.300 0.021 0.000 1.014 482 V CB 2.215 34.029 31.823 -0.015 0.000 1.057 482 V HN 0.170 nan 8.190 nan 0.000 0.438 483 N N 1.687 120.385 118.700 -0.003 0.000 2.414 483 N HA 0.496 5.240 4.740 0.008 0.000 0.256 483 N C -0.707 174.782 175.510 -0.035 0.000 1.029 483 N CA -0.135 52.919 53.050 0.006 0.000 0.948 483 N CB 1.683 40.170 38.487 0.000 0.000 1.102 483 N HN 0.648 nan 8.380 nan 0.000 0.496 484 V N 3.267 123.171 119.914 -0.017 0.000 2.435 484 V HA 0.494 4.618 4.120 0.008 0.000 0.290 484 V C 0.498 176.416 176.094 -0.294 0.000 1.030 484 V CA -0.748 61.431 62.300 -0.203 0.000 0.881 484 V CB 1.227 32.927 31.823 -0.204 0.000 0.983 484 V HN 0.681 nan 8.190 nan 0.000 0.445 485 R N 3.191 123.410 120.500 -0.469 0.000 2.912 485 R HA 0.768 5.113 4.340 0.008 0.000 0.262 485 R C -1.841 173.999 176.300 -0.766 0.000 1.057 485 R CA -0.770 55.082 56.100 -0.414 0.000 0.981 485 R CB 1.778 31.975 30.300 -0.173 0.000 1.201 485 R HN 0.370 nan 8.270 nan 0.000 0.484 486 F N 1.777 121.555 119.950 -0.286 0.000 2.467 486 F HA 0.518 5.049 4.527 0.007 0.000 0.336 486 F C 0.135 175.797 175.800 -0.230 0.000 1.123 486 F CA -0.915 56.900 58.000 -0.308 0.000 0.964 486 F CB 1.876 40.643 39.000 -0.388 0.000 1.136 486 F HN 0.466 nan 8.300 nan 0.000 0.447 487 I N -0.248 120.249 120.570 -0.121 0.000 2.892 487 I HA 0.851 5.026 4.170 0.008 0.000 0.306 487 I C -0.470 175.506 176.117 -0.234 0.000 1.078 487 I CA -0.819 60.388 61.300 -0.155 0.000 1.032 487 I CB 2.320 40.206 38.000 -0.189 0.000 1.229 487 I HN 0.509 nan 8.210 nan 0.000 0.435 488 S N 2.540 118.103 115.700 -0.229 0.000 2.681 488 S HA 0.526 5.000 4.470 0.008 0.000 0.299 488 S C 0.478 174.842 174.600 -0.394 0.000 1.113 488 S CA -0.615 57.385 58.200 -0.332 0.000 1.013 488 S CB 1.220 64.316 63.200 -0.175 0.000 1.076 488 S HN 0.605 nan 8.310 nan 0.000 0.534 489 F N 1.073 120.899 119.950 -0.207 0.000 2.161 489 F HA -0.055 4.477 4.527 0.007 0.000 0.300 489 F C 2.186 177.848 175.800 -0.230 0.000 1.089 489 F CA 1.293 59.132 58.000 -0.268 0.000 1.282 489 F CB -0.702 38.077 39.000 -0.368 0.000 1.010 489 F HN 0.531 nan 8.300 nan 0.000 0.485 490 D N 0.319 120.690 120.400 -0.049 0.000 2.097 490 D HA -0.169 4.475 4.640 0.008 0.000 0.195 490 D C 1.783 178.019 176.300 -0.107 0.000 0.989 490 D CA 1.523 55.472 54.000 -0.086 0.000 0.827 490 D CB -0.518 40.236 40.800 -0.077 0.000 0.966 490 D HN 0.250 nan 8.370 nan 0.000 0.456 491 D N 0.619 120.969 120.400 -0.084 0.000 2.106 491 D HA -0.130 4.515 4.640 0.008 0.000 0.191 491 D C 2.331 178.591 176.300 -0.066 0.000 0.997 491 D CA 0.681 54.661 54.000 -0.033 0.000 0.834 491 D CB -0.411 40.369 40.800 -0.033 0.000 0.956 491 D HN 0.081 nan 8.370 nan 0.000 0.448 492 V N 0.926 120.775 119.914 -0.108 0.000 2.358 492 V HA -0.175 3.949 4.120 0.008 0.000 0.246 492 V C 2.617 178.645 176.094 -0.110 0.000 1.047 492 V CA 0.990 63.221 62.300 -0.113 0.000 1.035 492 V CB -0.359 31.381 31.823 -0.137 0.000 0.658 492 V HN 0.183 nan 8.190 nan 0.000 0.452 493 L N -0.183 120.966 121.223 -0.122 0.000 2.201 493 L HA -0.087 4.257 4.340 0.008 0.000 0.212 493 L C 2.537 179.304 176.870 -0.171 0.000 1.105 493 L CA 1.349 56.109 54.840 -0.133 0.000 0.775 493 L CB -0.573 41.405 42.059 -0.136 0.000 0.913 493 L HN 0.365 nan 8.230 nan 0.000 0.440 494 A N -1.384 121.278 122.820 -0.264 0.000 1.943 494 A HA -0.069 4.256 4.320 0.008 0.000 0.213 494 A C 1.728 179.012 177.584 -0.500 0.000 1.181 494 A CA 0.806 52.568 52.037 -0.458 0.000 0.653 494 A CB -0.188 18.392 19.000 -0.699 0.000 0.833 494 A HN 0.435 nan 8.150 nan 0.000 0.451 495 H N -1.409 117.632 119.070 -0.049 0.000 3.058 495 H HA 0.347 4.908 4.556 0.008 0.000 0.266 495 H C 1.244 176.543 175.328 -0.048 0.000 1.135 495 H CA 0.263 56.286 56.048 -0.043 0.000 1.174 495 H CB 0.030 29.766 29.762 -0.043 0.000 1.581 495 H HN 0.627 nan 8.280 nan 0.000 0.553 496 G N 1.735 110.542 108.800 0.012 0.000 2.750 496 G HA2 -0.277 3.688 3.960 0.008 0.000 0.228 496 G HA3 -0.277 3.688 3.960 0.008 0.000 0.228 496 G C -0.305 174.553 174.900 -0.070 0.000 1.367 496 G CA -0.312 44.774 45.100 -0.024 0.000 0.871 496 G HN 0.221 nan 8.290 nan 0.000 0.560 497 I N 1.317 121.798 120.570 -0.149 0.000 2.325 497 I HA 0.191 4.365 4.170 0.008 0.000 0.291 497 I C 0.132 176.151 176.117 -0.164 0.000 1.019 497 I CA -0.610 60.511 61.300 -0.297 0.000 1.302 497 I CB 1.025 38.581 38.000 -0.741 0.000 1.401 497 I HN 0.350 nan 8.210 nan 0.000 0.485 498 D N 3.783 124.110 120.400 -0.122 0.000 2.506 498 D HA -0.056 4.588 4.640 0.008 0.000 0.234 498 D C 1.292 177.604 176.300 0.019 0.000 1.143 498 D CA 0.298 54.272 54.000 -0.044 0.000 0.871 498 D CB 0.892 41.661 40.800 -0.050 0.000 1.190 498 D HN 0.617 nan 8.370 nan 0.000 0.459 499 S N 0.808 116.543 115.700 0.059 0.000 2.522 499 S HA -0.150 4.325 4.470 0.008 0.000 0.227 499 S C 1.058 175.730 174.600 0.119 0.000 0.986 499 S CA 0.425 58.696 58.200 0.119 0.000 0.929 499 S CB 0.044 63.297 63.200 0.088 0.000 0.769 499 S HN 0.560 nan 8.310 nan 0.000 0.529 500 D N 1.233 121.680 120.400 0.077 0.000 2.349 500 D HA 0.079 4.723 4.640 0.008 0.000 0.215 500 D C 0.492 176.841 176.300 0.082 0.000 1.016 500 D CA -0.271 53.770 54.000 0.067 0.000 0.870 500 D CB -0.486 40.336 40.800 0.036 0.000 0.917 500 D HN 0.448 nan 8.370 nan 0.000 0.524 501 I N 1.814 122.449 120.570 0.108 0.000 2.533 501 I HA -0.030 4.145 4.170 0.008 0.000 0.284 501 I C 0.942 177.229 176.117 0.282 0.000 1.109 501 I CA -0.123 61.253 61.300 0.127 0.000 1.412 501 I CB 0.890 38.904 38.000 0.023 0.000 1.396 501 I HN -0.204 nan 8.210 nan 0.000 0.543 502 D N 4.950 125.458 120.400 0.179 0.000 2.259 502 D HA 0.081 4.726 4.640 0.008 0.000 0.216 502 D C 0.146 176.590 176.300 0.240 0.000 0.961 502 D CA 1.248 55.342 54.000 0.157 0.000 0.878 502 D CB 0.678 41.489 40.800 0.019 0.000 1.009 502 D HN 0.209 nan 8.370 nan 0.000 0.490 503 V N 1.662 121.706 119.914 0.216 0.000 2.686 503 V HA 0.350 4.475 4.120 0.008 0.000 0.306 503 V C -0.311 175.867 176.094 0.140 0.000 1.065 503 V CA -0.732 61.697 62.300 0.215 0.000 0.894 503 V CB 2.758 34.605 31.823 0.040 0.000 1.004 503 V HN -0.087 nan 8.190 nan 0.000 0.424 504 I N 5.069 125.755 120.570 0.193 0.000 2.359 504 I HA 0.501 4.676 4.170 0.008 0.000 0.294 504 I C -0.594 175.418 176.117 -0.175 0.000 0.987 504 I CA -0.371 60.918 61.300 -0.018 0.000 1.225 504 I CB 1.615 39.636 38.000 0.035 0.000 1.366 504 I HN 0.438 nan 8.210 nan 0.000 0.466 505 I N 6.468 126.899 120.570 -0.231 0.000 2.378 505 I HA 0.304 4.479 4.170 0.008 0.000 0.291 505 I C -0.240 175.722 176.117 -0.258 0.000 0.992 505 I CA -0.403 60.719 61.300 -0.298 0.000 1.154 505 I CB 1.375 39.260 38.000 -0.192 0.000 1.315 505 I HN 0.585 nan 8.210 nan 0.000 0.448 506 N N 4.831 123.317 118.700 -0.356 0.000 2.354 506 N HA 0.687 5.432 4.740 0.008 0.000 0.287 506 N C -0.999 174.471 175.510 -0.068 0.000 1.016 506 N CA -0.225 52.767 53.050 -0.097 0.000 0.871 506 N CB 2.341 40.888 38.487 0.101 0.000 1.299 506 N HN 0.835 nan 8.380 nan 0.000 0.482 507 G N 0.693 109.532 108.800 0.066 0.000 2.698 507 G HA2 0.737 4.702 3.960 0.008 0.000 0.293 507 G HA3 0.737 4.702 3.960 0.008 0.000 0.293 507 G C -0.735 174.189 174.900 0.040 0.000 1.437 507 G CA -0.152 44.984 45.100 0.061 0.000 0.852 507 G HN 0.810 nan 8.290 nan 0.000 0.499 508 G N 0.003 108.597 108.800 -0.344 0.000 2.347 508 G HA2 0.424 4.389 3.960 0.008 0.000 0.341 508 G HA3 0.424 4.389 3.960 0.008 0.000 0.341 508 G C -3.499 171.188 174.900 -0.355 0.000 1.287 508 G CA -0.356 44.269 45.100 -0.791 0.000 0.984 508 G HN 0.704 nan 8.290 nan 0.000 0.526 509 P HA 0.482 nan 4.420 nan 0.000 0.278 509 P C 0.423 177.834 177.300 0.185 0.000 1.266 509 P CA -0.590 62.624 63.100 0.190 0.000 0.807 509 P CB 1.162 33.051 31.700 0.316 0.000 1.094 510 V N 1.388 121.444 119.914 0.237 0.000 2.872 510 V HA 0.004 4.128 4.120 0.008 0.000 0.307 510 V C 0.234 176.431 176.094 0.172 0.000 1.072 510 V CA 0.919 63.333 62.300 0.190 0.000 1.148 510 V CB -0.907 31.120 31.823 0.340 0.000 0.954 510 V HN 0.670 nan 8.190 nan 0.000 0.490 511 D N 2.321 122.786 120.400 0.107 0.000 2.835 511 D HA -0.126 4.519 4.640 0.008 0.000 0.230 511 D C 0.197 176.555 176.300 0.097 0.000 1.130 511 D CA 1.450 55.500 54.000 0.084 0.000 0.738 511 D CB -1.331 39.532 40.800 0.105 0.000 1.090 511 D HN 1.106 nan 8.370 nan 0.000 0.433 512 T N -4.994 109.619 114.554 0.098 0.000 2.924 512 T HA 0.763 5.118 4.350 0.008 0.000 0.291 512 T C 1.500 176.127 174.700 -0.123 0.000 1.045 512 T CA -0.252 61.896 62.100 0.079 0.000 1.015 512 T CB 2.102 71.141 68.868 0.285 0.000 1.103 512 T HN -0.036 nan 8.240 nan 0.000 0.496 513 A N 0.520 123.108 122.820 -0.386 0.000 2.032 513 A HA 0.053 4.377 4.320 0.008 0.000 0.221 513 A C 1.596 178.821 177.584 -0.598 0.000 1.165 513 A CA 1.351 52.996 52.037 -0.654 0.000 0.645 513 A CB -1.148 17.277 19.000 -0.958 0.000 0.807 513 A HN 0.771 nan 8.150 nan 0.000 0.453 514 F N 0.400 120.281 119.950 -0.116 0.000 2.270 514 F HA -0.038 4.495 4.527 0.009 0.000 0.295 514 F C 2.820 178.648 175.800 0.048 0.000 1.087 514 F CA 1.508 59.420 58.000 -0.148 0.000 1.365 514 F CB -1.119 37.671 39.000 -0.350 0.000 1.056 514 F HN 0.322 nan 8.300 nan 0.000 0.506 515 T N -3.350 111.332 114.554 0.215 0.000 2.852 515 T HA 0.395 4.749 4.350 0.008 0.000 0.256 515 T C 1.978 176.953 174.700 0.459 0.000 1.038 515 T CA 1.167 63.427 62.100 0.267 0.000 1.141 515 T CB -0.340 68.590 68.868 0.104 0.000 0.869 515 T HN 0.396 nan 8.240 nan 0.000 0.439 516 G N 0.294 109.211 108.800 0.195 0.000 2.421 516 G HA2 0.333 4.298 3.960 0.008 0.000 0.188 516 G HA3 0.333 4.298 3.960 0.008 0.000 0.188 516 G C 0.990 175.754 174.900 -0.226 0.000 1.001 516 G CA 0.387 45.443 45.100 -0.073 0.000 0.693 516 G HN 1.529 nan 8.290 nan 0.000 0.479 517 G N 0.661 109.430 108.800 -0.052 0.000 2.527 517 G HA2 -0.240 3.724 3.960 0.008 0.000 0.268 517 G HA3 -0.240 3.724 3.960 0.008 0.000 0.268 517 G C 0.413 175.229 174.900 -0.140 0.000 1.175 517 G CA 0.876 45.924 45.100 -0.085 0.000 0.962 517 G HN 0.676 nan 8.290 nan 0.000 0.560 518 D N 0.215 120.500 120.400 -0.191 0.000 2.371 518 D HA 0.088 4.733 4.640 0.008 0.000 0.221 518 D C 2.371 178.463 176.300 -0.347 0.000 0.986 518 D CA 0.872 54.734 54.000 -0.230 0.000 0.899 518 D CB 0.103 40.794 40.800 -0.182 0.000 0.902 518 D HN 0.375 nan 8.370 nan 0.000 0.530 519 V N -0.523 119.104 119.914 -0.479 0.000 2.568 519 V HA -0.217 3.908 4.120 0.008 0.000 0.253 519 V C 1.328 176.981 176.094 -0.736 0.000 1.072 519 V CA 1.402 63.296 62.300 -0.677 0.000 1.084 519 V CB -0.432 30.778 31.823 -1.021 0.000 0.676 519 V HN 0.329 nan 8.190 nan 0.000 0.469 520 W N 0.073 121.087 121.300 -0.476 0.000 2.825 520 W HA -0.015 4.650 4.660 0.008 0.000 0.243 520 W C 2.368 178.633 176.519 -0.424 0.000 1.293 520 W CA 0.970 58.080 57.345 -0.392 0.000 1.403 520 W CB -0.298 28.967 29.460 -0.325 0.000 1.134 520 W HN 0.436 nan 8.180 nan 0.000 0.666 521 T N -3.092 111.207 114.554 -0.425 0.000 3.081 521 T HA 0.015 4.370 4.350 0.008 0.000 0.250 521 T C 0.760 175.179 174.700 -0.468 0.000 1.100 521 T CA -0.193 61.417 62.100 -0.817 0.000 1.038 521 T CB -0.305 67.806 68.868 -1.263 0.000 0.962 521 T HN -0.138 nan 8.240 nan 0.000 0.516 522 N N 3.553 122.049 118.700 -0.339 0.000 2.416 522 N HA 0.135 4.880 4.740 0.008 0.000 0.265 522 N C -1.367 174.051 175.510 -0.153 0.000 1.195 522 N CA -2.053 50.857 53.050 -0.233 0.000 0.943 522 N CB 1.592 39.919 38.487 -0.267 0.000 1.115 522 N HN 0.127 nan 8.380 nan 0.000 0.481 523 P HA -0.168 nan 4.420 nan 0.000 0.220 523 P C 1.011 178.295 177.300 -0.027 0.000 1.148 523 P CA 1.102 64.193 63.100 -0.016 0.000 0.803 523 P CB 0.430 32.143 31.700 0.022 0.000 0.782 524 K N -0.322 120.044 120.400 -0.056 0.000 2.147 524 K HA -0.139 4.185 4.320 0.008 0.000 0.205 524 K C 2.092 178.651 176.600 -0.069 0.000 1.049 524 K CA 0.741 56.995 56.287 -0.054 0.000 0.936 524 K CB -0.520 31.939 32.500 -0.069 0.000 0.722 524 K HN -0.022 nan 8.250 nan 0.000 0.446 525 L N 0.581 121.729 121.223 -0.125 0.000 2.027 525 L HA -0.103 4.241 4.340 0.008 0.000 0.206 525 L C 1.975 178.817 176.870 -0.047 0.000 1.074 525 L CA 1.353 56.094 54.840 -0.165 0.000 0.745 525 L CB -0.453 41.365 42.059 -0.402 0.000 0.898 525 L HN -0.033 nan 8.230 nan 0.000 0.433 526 V N 0.066 119.987 119.914 0.012 0.000 2.287 526 V HA -0.314 3.811 4.120 0.008 0.000 0.248 526 V C 2.528 178.669 176.094 0.077 0.000 1.053 526 V CA 2.148 64.511 62.300 0.104 0.000 1.027 526 V CB -0.603 31.285 31.823 0.107 0.000 0.646 526 V HN 0.526 nan 8.190 nan 0.000 0.447 527 E N -0.318 119.914 120.200 0.053 0.000 2.058 527 E HA -0.213 4.142 4.350 0.008 0.000 0.194 527 E C 2.267 178.914 176.600 0.078 0.000 0.997 527 E CA 1.948 58.385 56.400 0.063 0.000 0.801 527 E CB -0.392 29.332 29.700 0.040 0.000 0.746 527 E HN 0.577 nan 8.360 nan 0.000 0.450 528 T N 0.755 115.341 114.554 0.054 0.000 2.708 528 T HA -0.139 4.216 4.350 0.008 0.000 0.266 528 T C 2.112 176.890 174.700 0.130 0.000 1.037 528 T CA 1.312 63.452 62.100 0.066 0.000 1.146 528 T CB -0.245 68.627 68.868 0.007 0.000 0.865 528 T HN -0.026 nan 8.240 nan 0.000 0.435 529 V N 1.270 121.254 119.914 0.117 0.000 2.358 529 V HA -0.139 3.986 4.120 0.008 0.000 0.246 529 V C 2.615 178.836 176.094 0.211 0.000 1.047 529 V CA 1.566 63.969 62.300 0.172 0.000 1.035 529 V CB -0.575 31.306 31.823 0.096 0.000 0.658 529 V HN 0.353 nan 8.190 nan 0.000 0.452 530 R N 0.129 120.713 120.500 0.139 0.000 2.081 530 R HA -0.109 4.236 4.340 0.008 0.000 0.235 530 R C 2.465 178.933 176.300 0.281 0.000 1.131 530 R CA 1.497 57.715 56.100 0.196 0.000 0.960 530 R CB -0.607 29.815 30.300 0.203 0.000 0.856 530 R HN 0.533 nan 8.270 nan 0.000 0.436 531 A N 0.275 123.224 122.820 0.216 0.000 1.902 531 A HA -0.210 4.114 4.320 0.008 0.000 0.217 531 A C 1.891 179.604 177.584 0.216 0.000 1.181 531 A CA 1.239 53.385 52.037 0.181 0.000 0.623 531 A CB -0.832 18.254 19.000 0.143 0.000 0.818 531 A HN 0.609 nan 8.150 nan 0.000 0.443 532 W N 0.579 121.924 121.300 0.075 0.000 2.358 532 W HA -0.151 4.513 4.660 0.007 0.000 0.303 532 W C 1.966 178.543 176.519 0.097 0.000 1.208 532 W CA 2.173 59.561 57.345 0.072 0.000 1.274 532 W CB -0.310 29.188 29.460 0.063 0.000 1.138 532 W HN 0.098 nan 8.180 nan 0.000 0.515 533 V N 1.037 121.041 119.914 0.150 0.000 2.358 533 V HA -0.282 3.842 4.120 0.008 0.000 0.246 533 V C 2.379 178.495 176.094 0.038 0.000 1.047 533 V CA 2.282 64.561 62.300 -0.036 0.000 1.035 533 V CB -1.034 30.845 31.823 0.094 0.000 0.658 533 V HN 0.062 nan 8.190 nan 0.000 0.452 534 R N 0.971 121.583 120.500 0.187 0.000 2.139 534 R HA -0.130 4.215 4.340 0.008 0.000 0.243 534 R C 2.077 178.357 176.300 -0.033 0.000 1.145 534 R CA 1.585 57.731 56.100 0.076 0.000 0.976 534 R CB -0.918 29.396 30.300 0.024 0.000 0.866 534 R HN 0.535 nan 8.270 nan 0.000 0.449 535 G N -2.639 106.118 108.800 -0.072 0.000 2.920 535 G HA2 0.221 4.186 3.960 0.008 0.000 0.208 535 G HA3 0.221 4.186 3.960 0.008 0.000 0.208 535 G C 0.756 175.546 174.900 -0.184 0.000 1.159 535 G CA 0.441 45.475 45.100 -0.110 0.000 0.784 535 G HN 0.546 nan 8.290 nan 0.000 0.535 536 G N -1.641 107.008 108.800 -0.252 0.000 2.370 536 G HA2 0.070 4.035 3.960 0.008 0.000 0.174 536 G HA3 0.070 4.035 3.960 0.008 0.000 0.174 536 G C 0.731 175.372 174.900 -0.432 0.000 1.002 536 G CA 0.117 45.062 45.100 -0.259 0.000 0.730 536 G HN 0.821 nan 8.290 nan 0.000 0.497 537 G N 0.011 108.280 108.800 -0.885 0.000 2.684 537 G HA2 0.670 4.635 3.960 0.008 0.000 0.255 537 G HA3 0.670 4.635 3.960 0.008 0.000 0.255 537 G C 0.130 174.618 174.900 -0.687 0.000 1.219 537 G CA 0.592 44.747 45.100 -1.574 0.000 0.901 537 G HN 1.572 nan 8.290 nan 0.000 0.548 538 A N -0.567 122.021 122.820 -0.386 0.000 2.381 538 A HA 0.632 4.956 4.320 0.008 0.000 0.299 538 A C -1.588 176.205 177.584 0.348 0.000 1.049 538 A CA -0.541 51.523 52.037 0.045 0.000 0.715 538 A CB 1.330 20.346 19.000 0.028 0.000 1.222 538 A HN 0.828 nan 8.150 nan 0.000 0.428 539 F N 3.359 123.395 119.950 0.143 0.000 2.460 539 F HA 0.596 5.128 4.527 0.009 0.000 0.341 539 F C -0.901 174.941 175.800 0.070 0.000 1.130 539 F CA -0.611 57.480 58.000 0.152 0.000 0.962 539 F CB 1.776 40.847 39.000 0.117 0.000 1.171 539 F HN 0.327 nan 8.300 nan 0.000 0.436 540 V N 5.718 125.392 119.914 -0.400 0.000 2.347 540 V HA 0.617 4.741 4.120 0.008 0.000 0.280 540 V C 0.348 176.116 176.094 -0.544 0.000 1.021 540 V CA -0.598 61.520 62.300 -0.303 0.000 0.847 540 V CB 1.156 32.878 31.823 -0.168 0.000 0.990 540 V HN 0.921 nan 8.190 nan 0.000 0.444 541 G N 3.822 112.429 108.800 -0.321 0.000 2.368 541 G HA2 0.606 4.571 3.960 0.008 0.000 0.320 541 G HA3 0.606 4.571 3.960 0.008 0.000 0.320 541 G C -0.983 173.808 174.900 -0.182 0.000 1.158 541 G CA -0.393 44.559 45.100 -0.245 0.000 0.912 541 G HN 0.539 nan 8.290 nan 0.000 0.456 542 V N 2.673 122.489 119.914 -0.164 0.000 2.448 542 V HA 0.803 4.928 4.120 0.008 0.000 0.295 542 V C 1.122 177.238 176.094 0.038 0.000 1.025 542 V CA 0.736 62.953 62.300 -0.138 0.000 0.859 542 V CB 0.463 32.261 31.823 -0.041 0.000 0.988 542 V HN 1.582 nan 8.190 nan 0.000 0.431 543 G N 5.083 113.907 108.800 0.041 0.000 3.487 543 G HA2 -0.232 3.732 3.960 0.008 0.000 0.295 543 G HA3 -0.232 3.732 3.960 0.008 0.000 0.295 543 G C 0.147 175.214 174.900 0.278 0.000 1.454 543 G CA 0.428 45.711 45.100 0.305 0.000 1.039 543 G HN 0.714 nan 8.290 nan 0.000 0.624 544 E N 2.354 122.600 120.200 0.077 0.000 3.786 544 E HA 0.327 4.682 4.350 0.008 0.000 0.215 544 E C -2.664 173.610 176.600 -0.543 0.000 1.188 544 E CA -1.587 54.691 56.400 -0.204 0.000 1.248 544 E CB 2.080 31.951 29.700 0.286 0.000 1.260 544 E HN 0.428 nan 8.360 nan 0.000 0.426 545 P HA -0.076 nan 4.420 nan 0.000 0.271 545 P C 0.411 177.279 177.300 -0.719 0.000 1.218 545 P CA 0.370 63.184 63.100 -0.477 0.000 0.780 545 P CB 1.199 32.731 31.700 -0.280 0.000 0.901 546 S N 0.072 115.235 115.700 -0.894 0.000 3.445 546 S HA -0.186 4.288 4.470 0.008 0.000 0.319 546 S C 0.234 174.249 174.600 -0.975 0.000 1.209 546 S CA 0.899 58.013 58.200 -1.810 0.000 0.934 546 S CB -3.079 59.095 63.200 -1.710 0.000 0.999 546 S HN 0.782 nan 8.310 nan 0.000 0.582 547 S N 0.271 115.598 115.700 -0.622 0.000 2.584 547 S HA 0.774 5.248 4.470 0.008 0.000 0.273 547 S C 0.003 174.367 174.600 -0.393 0.000 1.311 547 S CA -0.255 57.600 58.200 -0.575 0.000 1.034 547 S CB 1.634 64.424 63.200 -0.684 0.000 0.939 547 S HN 2.007 nan 8.310 nan 0.000 0.513 548 A N 2.916 125.478 122.820 -0.430 0.000 2.547 548 A HA 0.635 4.960 4.320 0.008 0.000 0.279 548 A C -3.000 174.578 177.584 -0.011 0.000 1.088 548 A CA -1.479 50.471 52.037 -0.144 0.000 0.796 548 A CB 0.986 19.937 19.000 -0.081 0.000 1.308 548 A HN 0.665 nan 8.150 nan 0.000 0.415 549 P HA 0.250 nan 4.420 nan 0.000 0.271 549 P C 0.398 177.854 177.300 0.260 0.000 1.216 549 P CA 0.233 63.539 63.100 0.345 0.000 0.771 549 P CB 0.829 32.711 31.700 0.303 0.000 0.864 550 R N -0.218 120.441 120.500 0.265 0.000 3.943 550 R HA -0.268 4.076 4.340 0.008 0.000 0.459 550 R C 1.367 177.782 176.300 0.191 0.000 0.939 550 R CA 1.285 57.498 56.100 0.187 0.000 1.515 550 R CB -2.416 27.969 30.300 0.142 0.000 2.164 550 R HN 0.422 nan 8.270 nan 0.000 0.516 551 F N 1.783 121.776 119.950 0.071 0.000 2.146 551 F HA -0.042 4.490 4.527 0.008 0.000 0.298 551 F C 0.821 176.647 175.800 0.043 0.000 1.096 551 F CA 1.590 59.616 58.000 0.043 0.000 1.275 551 F CB 0.279 39.298 39.000 0.031 0.000 1.008 551 F HN 0.047 nan 8.300 nan 0.000 0.480 552 Q N -0.415 119.437 119.800 0.088 0.000 2.321 552 Q HA 0.186 4.530 4.340 0.008 0.000 0.270 552 Q C 0.810 176.842 176.000 0.053 0.000 1.032 552 Q CA -0.163 55.629 55.803 -0.017 0.000 0.784 552 Q CB 1.937 30.698 28.738 0.038 0.000 1.264 552 Q HN -0.008 nan 8.270 nan 0.000 0.448 553 T N 1.019 115.580 114.554 0.012 0.000 2.759 553 T HA -0.155 4.200 4.350 0.008 0.000 0.269 553 T C 1.397 176.121 174.700 0.040 0.000 1.042 553 T CA 1.798 63.915 62.100 0.029 0.000 1.140 553 T CB -0.020 68.850 68.868 0.003 0.000 0.864 553 T HN 0.835 nan 8.240 nan 0.000 0.455 554 G N 0.028 108.849 108.800 0.034 0.000 3.088 554 G HA2 0.275 4.240 3.960 0.008 0.000 0.217 554 G HA3 0.275 4.240 3.960 0.008 0.000 0.217 554 G C 0.433 175.374 174.900 0.067 0.000 1.159 554 G CA -0.388 44.737 45.100 0.041 0.000 0.760 554 G HN 0.254 nan 8.290 nan 0.000 0.550 555 R N -0.745 119.809 120.500 0.090 0.000 2.531 555 R HA 0.461 4.806 4.340 0.008 0.000 0.293 555 R C -0.616 175.785 176.300 0.169 0.000 1.124 555 R CA -0.788 55.370 56.100 0.096 0.000 0.945 555 R CB 0.622 30.970 30.300 0.079 0.000 1.195 555 R HN -0.027 nan 8.270 nan 0.000 0.433 556 F N 4.018 123.945 119.950 -0.039 0.000 2.315 556 F HA 0.411 4.943 4.527 0.007 0.000 0.284 556 F C -0.150 175.737 175.800 0.144 0.000 1.049 556 F CA 0.275 58.283 58.000 0.013 0.000 1.323 556 F CB 0.365 39.315 39.000 -0.082 0.000 1.113 556 F HN 0.354 nan 8.300 nan 0.000 0.544 557 F N 3.100 122.970 119.950 -0.134 0.000 2.466 557 F HA 0.203 4.735 4.527 0.007 0.000 0.363 557 F C 1.518 177.172 175.800 -0.243 0.000 1.109 557 F CA -1.061 56.766 58.000 -0.289 0.000 1.161 557 F CB 0.129 38.996 39.000 -0.222 0.000 1.117 557 F HN 0.127 nan 8.300 nan 0.000 0.539 558 Q N 2.721 122.450 119.800 -0.119 0.000 2.170 558 Q HA -0.095 4.250 4.340 0.008 0.000 0.203 558 Q C 1.511 177.450 176.000 -0.101 0.000 0.976 558 Q CA 1.211 56.975 55.803 -0.066 0.000 0.858 558 Q CB -0.020 28.709 28.738 -0.016 0.000 0.907 558 Q HN 0.649 nan 8.270 nan 0.000 0.433 559 L N 0.450 121.527 121.223 -0.244 0.000 2.783 559 L HA 0.245 4.589 4.340 0.008 0.000 0.236 559 L C 1.645 178.421 176.870 -0.158 0.000 1.225 559 L CA -0.217 54.458 54.840 -0.275 0.000 1.026 559 L CB -0.327 41.391 42.059 -0.568 0.000 1.314 559 L HN 0.012 nan 8.230 nan 0.000 0.489 560 A N 0.996 123.786 122.820 -0.050 0.000 1.986 560 A HA -0.260 4.064 4.320 0.008 0.000 0.220 560 A C 2.065 179.614 177.584 -0.057 0.000 1.171 560 A CA 2.143 54.161 52.037 -0.032 0.000 0.640 560 A CB -0.301 18.652 19.000 -0.079 0.000 0.811 560 A HN 0.660 nan 8.150 nan 0.000 0.451 561 D N -0.194 120.181 120.400 -0.042 0.000 2.183 561 D HA -0.090 4.555 4.640 0.008 0.000 0.203 561 D C 1.781 178.072 176.300 -0.016 0.000 0.969 561 D CA 1.464 55.484 54.000 0.033 0.000 0.842 561 D CB -0.775 40.105 40.800 0.133 0.000 0.957 561 D HN 0.270 nan 8.370 nan 0.000 0.484 562 V N 1.987 121.725 119.914 -0.292 0.000 2.307 562 V HA -0.171 3.954 4.120 0.008 0.000 0.245 562 V C 2.629 178.633 176.094 -0.150 0.000 1.045 562 V CA 1.755 63.713 62.300 -0.570 0.000 1.024 562 V CB -0.526 30.870 31.823 -0.712 0.000 0.651 562 V HN 0.380 nan 8.190 nan 0.000 0.449 563 I N -2.062 118.488 120.570 -0.032 0.000 3.603 563 I HA 0.438 4.613 4.170 0.008 0.000 0.297 563 I C 1.516 177.662 176.117 0.049 0.000 1.269 563 I CA 0.981 62.331 61.300 0.083 0.000 1.361 563 I CB -0.083 38.029 38.000 0.186 0.000 1.063 563 I HN 0.410 nan 8.210 nan 0.000 0.448 564 G N 1.716 110.512 108.800 -0.007 0.000 2.141 564 G HA2 -0.184 3.780 3.960 0.008 0.000 0.242 564 G HA3 -0.184 3.780 3.960 0.008 0.000 0.242 564 G C -0.053 174.753 174.900 -0.157 0.000 0.982 564 G CA 0.141 45.214 45.100 -0.045 0.000 0.662 564 G HN 0.368 nan 8.290 nan 0.000 0.527 565 V N -0.113 119.667 119.914 -0.223 0.000 2.888 565 V HA 0.760 4.884 4.120 0.008 0.000 0.309 565 V C -0.669 175.103 176.094 -0.537 0.000 1.114 565 V CA -0.597 61.432 62.300 -0.451 0.000 0.940 565 V CB 2.176 33.670 31.823 -0.548 0.000 1.021 565 V HN 0.300 nan 8.190 nan 0.000 0.426 566 D N 1.475 121.298 120.400 -0.963 0.000 2.566 566 D HA 0.435 5.080 4.640 0.008 0.000 0.254 566 D C -1.052 174.500 176.300 -1.246 0.000 1.090 566 D CA -0.528 52.790 54.000 -1.137 0.000 1.034 566 D CB 2.600 42.922 40.800 -0.796 0.000 1.434 566 D HN 0.645 nan 8.370 nan 0.000 0.509 567 E N 0.970 120.472 120.200 -1.163 0.000 2.133 567 E HA 0.231 4.586 4.350 0.008 0.000 0.274 567 E C -0.975 175.457 176.600 -0.280 0.000 0.930 567 E CA -0.637 55.401 56.400 -0.604 0.000 0.770 567 E CB 1.159 30.561 29.700 -0.496 0.000 1.104 567 E HN 0.279 nan 8.360 nan 0.000 0.403 568 E N 3.451 123.603 120.200 -0.079 0.000 2.417 568 E HA -0.038 4.317 4.350 0.008 0.000 0.261 568 E C -0.250 176.110 176.600 -0.399 0.000 1.000 568 E CA 0.314 56.613 56.400 -0.168 0.000 0.919 568 E CB 0.507 30.062 29.700 -0.241 0.000 0.955 568 E HN 0.363 nan 8.360 nan 0.000 0.455 569 R N 4.153 124.442 120.500 -0.352 0.000 2.613 569 R HA 0.096 4.440 4.340 0.008 0.000 0.361 569 R C -0.400 175.865 176.300 -0.057 0.000 1.072 569 R CA -0.428 55.489 56.100 -0.304 0.000 1.089 569 R CB -0.555 29.534 30.300 -0.352 0.000 1.343 569 R HN 0.795 nan 8.270 nan 0.000 0.571 570 Y N -0.571 119.670 120.300 -0.099 0.000 4.668 570 Y HA -0.290 4.264 4.550 0.007 0.000 0.234 570 Y C 1.369 177.232 175.900 -0.061 0.000 1.056 570 Y CA 0.746 58.802 58.100 -0.074 0.000 2.025 570 Y CB -1.575 36.847 38.460 -0.063 0.000 1.613 570 Y HN 0.114 nan 8.280 nan 0.000 0.653 571 Q N -0.551 119.262 119.800 0.021 0.000 2.376 571 Q HA 0.133 4.477 4.340 0.008 0.000 0.206 571 Q C 1.591 177.578 176.000 -0.022 0.000 0.921 571 Q CA 1.481 57.290 55.803 0.010 0.000 0.911 571 Q CB 0.142 28.886 28.738 0.010 0.000 1.032 571 Q HN 0.680 nan 8.270 nan 0.000 0.510 572 T N -2.495 112.020 114.554 -0.065 0.000 3.266 572 T HA 0.362 4.717 4.350 0.008 0.000 0.278 572 T C 1.409 176.030 174.700 -0.132 0.000 1.010 572 T CA -0.237 61.806 62.100 -0.095 0.000 0.909 572 T CB -0.224 68.578 68.868 -0.110 0.000 1.122 572 T HN 0.002 nan 8.240 nan 0.000 0.536 573 L N 0.552 121.718 121.223 -0.095 0.000 2.265 573 L HA -0.041 4.304 4.340 0.008 0.000 0.215 573 L C 2.576 179.393 176.870 -0.088 0.000 1.117 573 L CA 0.768 55.551 54.840 -0.094 0.000 0.782 573 L CB -0.562 41.480 42.059 -0.028 0.000 0.914 573 L HN 0.355 nan 8.230 nan 0.000 0.441 574 S N -0.866 114.792 115.700 -0.070 0.000 2.453 574 S HA -0.004 4.471 4.470 0.008 0.000 0.231 574 S C 0.828 175.385 174.600 -0.073 0.000 1.005 574 S CA 0.198 58.363 58.200 -0.058 0.000 0.949 574 S CB 0.089 63.267 63.200 -0.038 0.000 0.774 574 S HN 0.075 nan 8.310 nan 0.000 0.510 575 V N 3.416 123.267 119.914 -0.105 0.000 2.385 575 V HA 0.188 4.312 4.120 0.008 0.000 0.269 575 V C 0.057 176.042 176.094 -0.181 0.000 1.043 575 V CA -0.905 61.326 62.300 -0.114 0.000 0.906 575 V CB 0.963 32.714 31.823 -0.120 0.000 0.995 575 V HN 0.257 nan 8.190 nan 0.000 0.467 576 D N 4.929 125.230 120.400 -0.166 0.000 2.425 576 D HA 0.115 4.759 4.640 0.008 0.000 0.247 576 D C -0.082 175.936 176.300 -0.472 0.000 1.147 576 D CA -0.016 53.787 54.000 -0.328 0.000 0.879 576 D CB 1.025 41.635 40.800 -0.318 0.000 1.179 576 D HN 0.320 nan 8.370 nan 0.000 0.456 577 K N 2.674 122.775 120.400 -0.497 0.000 2.211 577 K HA 0.281 4.605 4.320 0.008 0.000 0.275 577 K C -0.625 175.764 176.600 -0.351 0.000 1.024 577 K CA -0.599 55.495 56.287 -0.323 0.000 0.887 577 K CB 0.655 33.075 32.500 -0.135 0.000 1.084 577 K HN 0.323 nan 8.250 nan 0.000 0.463 578 Y N 2.152 122.560 120.300 0.179 0.000 2.328 578 Y HA 0.360 4.914 4.550 0.008 0.000 0.333 578 Y C -0.190 175.871 175.900 0.268 0.000 0.958 578 Y CA -0.788 57.434 58.100 0.205 0.000 1.167 578 Y CB 0.943 39.451 38.460 0.081 0.000 1.151 578 Y HN 0.395 nan 8.280 nan 0.000 0.470 579 F N 5.985 125.998 119.950 0.105 0.000 2.410 579 F HA 0.435 4.967 4.527 0.007 0.000 0.349 579 F C -1.845 173.946 175.800 -0.014 0.000 1.117 579 F CA -2.333 55.697 58.000 0.049 0.000 1.104 579 F CB 1.297 40.321 39.000 0.040 0.000 1.122 579 F HN 0.319 nan 8.300 nan 0.000 0.483 580 P HA 0.213 nan 4.420 nan 0.000 0.276 580 P C -2.737 174.512 177.300 -0.085 0.000 1.261 580 P CA -1.706 61.394 63.100 -0.000 0.000 0.800 580 P CB 0.138 31.845 31.700 0.012 0.000 1.066 581 P HA 0.048 nan 4.420 nan 0.000 0.269 581 P C -0.218 177.137 177.300 0.093 0.000 1.209 581 P CA 0.061 62.978 63.100 -0.304 0.000 0.776 581 P CB 0.182 31.768 31.700 -0.190 0.000 0.876 582 V N 3.567 123.695 119.914 0.358 0.000 2.740 582 V HA 0.005 4.130 4.120 0.008 0.000 0.303 582 V C 0.440 176.746 176.094 0.353 0.000 1.054 582 V CA 0.114 62.646 62.300 0.386 0.000 1.106 582 V CB 1.002 33.124 31.823 0.500 0.000 0.957 582 V HN 0.212 nan 8.190 nan 0.000 0.486 583 V N 8.139 128.169 119.914 0.192 0.000 2.288 583 V HA 0.233 4.358 4.120 0.008 0.000 0.266 583 V C -1.182 174.973 176.094 0.101 0.000 1.048 583 V CA -0.897 61.503 62.300 0.167 0.000 0.842 583 V CB 1.132 33.041 31.823 0.144 0.000 1.064 583 V HN 0.853 nan 8.190 nan 0.000 0.472 584 P HA 0.045 nan 4.420 nan 0.000 0.227 584 P C 0.014 177.315 177.300 0.003 0.000 1.161 584 P CA 0.618 63.691 63.100 -0.046 0.000 0.788 584 P CB 0.508 32.121 31.700 -0.145 0.000 0.822 585 D N 0.623 121.062 120.400 0.066 0.000 2.427 585 D HA 0.249 4.894 4.640 0.008 0.000 0.226 585 D C -0.192 176.173 176.300 0.108 0.000 1.076 585 D CA 0.185 54.221 54.000 0.059 0.000 0.849 585 D CB 1.000 41.833 40.800 0.054 0.000 1.052 585 D HN 0.204 nan 8.370 nan 0.000 0.515 586 H N 1.413 120.460 119.070 -0.038 0.000 3.046 586 H HA 0.014 4.574 4.556 0.008 0.000 0.361 586 H C 0.086 175.379 175.328 -0.058 0.000 1.235 586 H CA -0.648 55.375 56.048 -0.042 0.000 1.146 586 H CB 1.561 31.270 29.762 -0.089 0.000 1.859 586 H HN 0.219 nan 8.280 nan 0.000 0.548 587 F N 3.410 123.097 119.950 -0.438 0.000 2.085 587 F HA -0.249 4.284 4.527 0.009 0.000 0.299 587 F C 1.855 177.570 175.800 -0.141 0.000 1.096 587 F CA 2.238 60.075 58.000 -0.273 0.000 1.227 587 F CB -0.160 38.676 39.000 -0.274 0.000 0.983 587 F HN 0.565 nan 8.300 nan 0.000 0.482 588 I N -0.272 120.435 120.570 0.229 0.000 2.252 588 I HA -0.244 3.931 4.170 0.008 0.000 0.245 588 I C 1.956 178.019 176.117 -0.090 0.000 1.102 588 I CA 1.758 63.095 61.300 0.062 0.000 1.385 588 I CB -0.623 37.391 38.000 0.024 0.000 1.064 588 I HN 0.296 nan 8.210 nan 0.000 0.414 589 T N -1.810 112.710 114.554 -0.056 0.000 3.206 589 T HA 0.355 4.710 4.350 0.008 0.000 0.253 589 T C 1.505 176.128 174.700 -0.128 0.000 1.042 589 T CA 0.326 62.371 62.100 -0.092 0.000 0.931 589 T CB 0.306 69.137 68.868 -0.062 0.000 1.029 589 T HN 0.235 nan 8.240 nan 0.000 0.564 590 A N 1.950 124.652 122.820 -0.197 0.000 2.015 590 A HA -0.015 4.309 4.320 0.008 0.000 0.219 590 A C 1.990 179.471 177.584 -0.171 0.000 1.163 590 A CA 1.077 52.996 52.037 -0.196 0.000 0.646 590 A CB -0.319 18.510 19.000 -0.286 0.000 0.806 590 A HN 0.455 nan 8.150 nan 0.000 0.448 591 D N -0.455 119.834 120.400 -0.185 0.000 2.339 591 D HA 0.138 4.783 4.640 0.008 0.000 0.217 591 D C 0.067 176.296 176.300 -0.117 0.000 1.050 591 D CA 0.126 54.044 54.000 -0.137 0.000 0.856 591 D CB 0.237 40.959 40.800 -0.130 0.000 0.922 591 D HN 0.137 nan 8.370 nan 0.000 0.518 592 V N 3.127 122.967 119.914 -0.122 0.000 2.529 592 V HA 0.055 4.180 4.120 0.008 0.000 0.292 592 V C -1.859 174.175 176.094 -0.099 0.000 1.028 592 V CA -1.098 61.131 62.300 -0.118 0.000 1.074 592 V CB 0.410 32.159 31.823 -0.124 0.000 0.958 592 V HN -0.041 nan 8.190 nan 0.000 0.481 593 P HA 0.086 nan 4.420 nan 0.000 0.263 593 P C -0.296 176.961 177.300 -0.071 0.000 1.195 593 P CA 0.010 63.066 63.100 -0.074 0.000 0.762 593 P CB 0.317 31.976 31.700 -0.069 0.000 0.799 594 V N 3.686 123.565 119.914 -0.058 0.000 2.715 594 V HA 0.067 4.191 4.120 0.008 0.000 0.299 594 V C 0.649 176.718 176.094 -0.042 0.000 1.054 594 V CA 0.601 62.870 62.300 -0.052 0.000 1.077 594 V CB 0.765 32.565 31.823 -0.038 0.000 0.972 594 V HN 0.576 nan 8.190 nan 0.000 0.484 595 D N 5.575 125.951 120.400 -0.041 0.000 2.420 595 D HA 0.369 5.014 4.640 0.008 0.000 0.255 595 D C -1.928 174.366 176.300 -0.011 0.000 1.185 595 D CA -1.935 52.049 54.000 -0.027 0.000 0.904 595 D CB 2.258 43.038 40.800 -0.033 0.000 1.102 595 D HN 0.144 nan 8.370 nan 0.000 0.534 596 P HA -0.091 nan 4.420 nan 0.000 0.214 596 P C 1.258 178.573 177.300 0.026 0.000 1.163 596 P CA 1.625 64.734 63.100 0.014 0.000 0.883 596 P CB 0.259 31.966 31.700 0.011 0.000 0.788 597 A N 0.017 122.849 122.820 0.020 0.000 1.892 597 A HA -0.237 4.088 4.320 0.008 0.000 0.218 597 A C 2.343 179.951 177.584 0.041 0.000 1.188 597 A CA 2.608 54.661 52.037 0.026 0.000 0.631 597 A CB -1.683 17.328 19.000 0.017 0.000 0.822 597 A HN 0.218 nan 8.150 nan 0.000 0.447 598 A N -0.649 122.190 122.820 0.033 0.000 1.873 598 A HA -0.140 4.185 4.320 0.008 0.000 0.215 598 A C 2.262 179.902 177.584 0.094 0.000 1.186 598 A CA 1.780 53.844 52.037 0.045 0.000 0.616 598 A CB -0.479 18.526 19.000 0.008 0.000 0.823 598 A HN 0.574 nan 8.150 nan 0.000 0.442 599 R N -0.154 120.391 120.500 0.074 0.000 2.092 599 R HA -0.141 4.204 4.340 0.008 0.000 0.231 599 R C 1.957 178.416 176.300 0.265 0.000 1.119 599 R CA 1.707 57.901 56.100 0.157 0.000 0.970 599 R CB -0.244 30.099 30.300 0.072 0.000 0.864 599 R HN 0.667 nan 8.270 nan 0.000 0.440 600 E N -0.070 120.217 120.200 0.145 0.000 2.051 600 E HA -0.171 4.184 4.350 0.008 0.000 0.192 600 E C 1.949 178.602 176.600 0.088 0.000 0.991 600 E CA 1.382 57.844 56.400 0.103 0.000 0.799 600 E CB -0.118 29.617 29.700 0.058 0.000 0.748 600 E HN 0.471 nan 8.360 nan 0.000 0.449 601 A N 0.648 123.524 122.820 0.093 0.000 1.898 601 A HA -0.182 4.143 4.320 0.008 0.000 0.216 601 A C 1.900 179.534 177.584 0.083 0.000 1.181 601 A CA 1.269 53.346 52.037 0.066 0.000 0.620 601 A CB -0.990 18.047 19.000 0.061 0.000 0.819 601 A HN 0.556 nan 8.150 nan 0.000 0.442 602 W N 0.948 122.215 121.300 -0.055 0.000 2.335 602 W HA -0.191 4.475 4.660 0.009 0.000 0.311 602 W C 1.860 178.299 176.519 -0.134 0.000 1.213 602 W CA 2.029 59.321 57.345 -0.088 0.000 1.274 602 W CB -0.205 29.220 29.460 -0.059 0.000 1.148 602 W HN 0.448 nan 8.180 nan 0.000 0.498 603 E N -0.443 119.676 120.200 -0.135 0.000 2.110 603 E HA -0.274 4.080 4.350 0.008 0.000 0.193 603 E C 2.284 178.689 176.600 -0.325 0.000 0.988 603 E CA 1.490 57.650 56.400 -0.399 0.000 0.804 603 E CB -0.263 29.400 29.700 -0.061 0.000 0.745 603 E HN 0.349 nan 8.360 nan 0.000 0.458 604 Q N -0.530 119.166 119.800 -0.173 0.000 2.123 604 Q HA -0.033 4.312 4.340 0.008 0.000 0.199 604 Q C 2.063 177.962 176.000 -0.169 0.000 0.966 604 Q CA 1.154 56.877 55.803 -0.134 0.000 0.845 604 Q CB 0.060 28.759 28.738 -0.066 0.000 0.907 604 Q HN 0.228 nan 8.270 nan 0.000 0.439 605 A N 0.297 122.996 122.820 -0.201 0.000 2.016 605 A HA 0.269 4.594 4.320 0.008 0.000 0.217 605 A C 1.265 178.679 177.584 -0.284 0.000 1.162 605 A CA 1.300 53.223 52.037 -0.189 0.000 0.662 605 A CB -0.521 18.395 19.000 -0.140 0.000 0.812 605 A HN 0.420 nan 8.150 nan 0.000 0.450 606 G N -1.684 106.816 108.800 -0.500 0.000 2.569 606 G HA2 -0.222 3.743 3.960 0.008 0.000 0.259 606 G HA3 -0.222 3.743 3.960 0.008 0.000 0.259 606 G C -0.295 174.202 174.900 -0.672 0.000 1.263 606 G CA 0.300 44.999 45.100 -0.668 0.000 0.928 606 G HN 0.654 nan 8.290 nan 0.000 0.572 607 Y N 0.437 120.645 120.300 -0.153 0.000 2.509 607 Y HA 0.670 5.225 4.550 0.008 0.000 0.341 607 Y C 1.259 177.119 175.900 -0.067 0.000 1.038 607 Y CA -0.905 57.137 58.100 -0.096 0.000 1.089 607 Y CB 1.197 39.621 38.460 -0.060 0.000 1.241 607 Y HN 0.608 nan 8.280 nan 0.000 0.468 608 R N 1.934 122.498 120.500 0.106 0.000 2.570 608 R HA 0.224 4.568 4.340 0.008 0.000 0.277 608 R C -0.648 175.692 176.300 0.066 0.000 1.039 608 R CA -0.057 56.068 56.100 0.041 0.000 1.065 608 R CB 0.217 30.511 30.300 -0.009 0.000 0.964 608 R HN 0.567 nan 8.270 nan 0.000 0.428 609 I N 4.670 125.268 120.570 0.046 0.000 2.696 609 I HA 0.075 4.249 4.170 0.008 0.000 0.284 609 I C -1.700 174.459 176.117 0.070 0.000 1.129 609 I CA -1.940 59.392 61.300 0.053 0.000 1.410 609 I CB 0.617 38.635 38.000 0.030 0.000 1.399 609 I HN 0.286 nan 8.210 nan 0.000 0.579 610 P HA 0.071 nan 4.420 nan 0.000 0.261 610 P C -0.971 176.383 177.300 0.089 0.000 1.173 610 P CA 0.311 63.513 63.100 0.170 0.000 0.760 610 P CB 0.396 32.213 31.700 0.195 0.000 0.783 611 L N 1.935 123.197 121.223 0.065 0.000 2.431 611 L HA 0.340 4.685 4.340 0.008 0.000 0.266 611 L C 0.033 176.911 176.870 0.013 0.000 0.978 611 L CA -0.921 53.934 54.840 0.025 0.000 0.822 611 L CB 2.290 44.350 42.059 0.001 0.000 1.310 611 L HN 0.262 nan 8.230 nan 0.000 0.409 612 S N 2.197 117.904 115.700 0.012 0.000 2.575 612 S HA 0.253 4.727 4.470 0.008 0.000 0.295 612 S C 1.181 175.770 174.600 -0.019 0.000 1.267 612 S CA 1.116 59.319 58.200 0.004 0.000 1.074 612 S CB 0.226 63.428 63.200 0.004 0.000 0.829 612 S HN 1.208 nan 8.310 nan 0.000 0.497 613 G N 3.164 111.944 108.800 -0.033 0.000 2.175 613 G HA2 -0.268 3.697 3.960 0.008 0.000 0.265 613 G HA3 -0.268 3.697 3.960 0.008 0.000 0.265 613 G C 0.560 175.413 174.900 -0.079 0.000 0.979 613 G CA 0.411 45.479 45.100 -0.054 0.000 0.663 613 G HN 0.964 nan 8.290 nan 0.000 0.533 614 C N 0.127 119.373 119.300 -0.090 0.000 3.525 614 C HA 0.645 5.110 4.460 0.008 0.000 0.289 614 C C 2.092 176.977 174.990 -0.175 0.000 1.496 614 C CA -0.008 58.943 59.018 -0.111 0.000 1.804 614 C CB -0.630 27.065 27.740 -0.074 0.000 2.708 614 C HN 1.894 nan 8.230 nan 0.000 0.642 615 G N 1.465 110.107 108.800 -0.264 0.000 2.581 615 G HA2 0.233 4.198 3.960 0.008 0.000 0.291 615 G HA3 0.233 4.198 3.960 0.008 0.000 0.291 615 G C 0.040 174.788 174.900 -0.254 0.000 1.277 615 G CA 0.314 45.092 45.100 -0.536 0.000 0.959 615 G HN 1.448 nan 8.290 nan 0.000 0.554 616 G N -3.903 104.789 108.800 -0.179 0.000 2.523 616 G HA2 0.702 4.667 3.960 0.008 0.000 0.291 616 G HA3 0.702 4.667 3.960 0.008 0.000 0.291 616 G C 0.931 175.911 174.900 0.135 0.000 1.450 616 G CA 1.160 46.328 45.100 0.114 0.000 0.790 616 G HN 2.614 nan 8.290 nan 0.000 0.496 617 G N -1.187 107.673 108.800 0.101 0.000 2.199 617 G HA2 -0.200 3.764 3.960 0.008 0.000 0.254 617 G HA3 -0.200 3.764 3.960 0.008 0.000 0.254 617 G C 0.346 175.273 174.900 0.045 0.000 0.982 617 G CA 0.957 46.097 45.100 0.067 0.000 0.632 617 G HN 0.954 nan 8.290 nan 0.000 0.529 618 Q N 1.500 121.225 119.800 -0.124 0.000 2.332 618 Q HA 0.526 4.871 4.340 0.008 0.000 0.263 618 Q C 0.823 176.908 176.000 0.141 0.000 0.979 618 Q CA 0.497 56.180 55.803 -0.200 0.000 0.885 618 Q CB 1.195 29.623 28.738 -0.517 0.000 1.218 618 Q HN 0.731 nan 8.270 nan 0.000 0.405 619 S N 1.973 117.845 115.700 0.287 0.000 2.537 619 S HA 0.098 4.573 4.470 0.008 0.000 0.286 619 S C 0.817 175.434 174.600 0.029 0.000 1.299 619 S CA -0.413 57.871 58.200 0.139 0.000 1.067 619 S CB 0.292 63.664 63.200 0.287 0.000 0.864 619 S HN 0.656 nan 8.310 nan 0.000 0.494 620 I N 1.628 122.158 120.570 -0.067 0.000 2.493 620 I HA -0.031 4.143 4.170 0.008 0.000 0.254 620 I C 1.140 177.254 176.117 -0.005 0.000 1.160 620 I CA 1.061 62.333 61.300 -0.046 0.000 1.445 620 I CB -0.107 37.847 38.000 -0.077 0.000 1.086 620 I HN 0.609 nan 8.210 nan 0.000 0.433 621 K N 0.975 121.392 120.400 0.028 0.000 2.375 621 K HA 0.397 4.722 4.320 0.008 0.000 0.249 621 K C -2.538 174.189 176.600 0.211 0.000 0.942 621 K CA -1.861 54.482 56.287 0.094 0.000 0.806 621 K CB 2.067 34.614 32.500 0.078 0.000 1.227 621 K HN -0.254 nan 8.250 nan 0.000 0.430 622 P HA 0.041 nan 4.420 nan 0.000 0.280 622 P C 0.187 177.535 177.300 0.078 0.000 1.244 622 P CA -0.424 62.753 63.100 0.129 0.000 0.784 622 P CB 1.006 32.752 31.700 0.076 0.000 0.913 623 L N 4.014 125.177 121.223 -0.100 0.000 2.056 623 L HA 0.103 4.447 4.340 0.008 0.000 0.207 623 L C 1.380 178.152 176.870 -0.165 0.000 1.078 623 L CA 2.637 57.263 54.840 -0.356 0.000 0.749 623 L CB -1.456 40.082 42.059 -0.869 0.000 0.901 623 L HN 0.820 nan 8.230 nan 0.000 0.433 624 G N -1.317 107.435 108.800 -0.079 0.000 2.575 624 G HA2 0.033 3.998 3.960 0.008 0.000 0.267 624 G HA3 0.033 3.998 3.960 0.008 0.000 0.267 624 G C 0.992 175.861 174.900 -0.052 0.000 1.264 624 G CA 0.146 45.235 45.100 -0.019 0.000 0.935 624 G HN 1.526 nan 8.290 nan 0.000 0.568 625 G N -2.075 106.691 108.800 -0.057 0.000 2.199 625 G HA2 -0.100 3.865 3.960 0.008 0.000 0.254 625 G HA3 -0.100 3.865 3.960 0.008 0.000 0.254 625 G C 0.313 175.131 174.900 -0.136 0.000 0.982 625 G CA 1.054 46.101 45.100 -0.089 0.000 0.632 625 G HN 1.665 nan 8.290 nan 0.000 0.529 626 I N 0.842 121.315 120.570 -0.162 0.000 2.533 626 I HA 0.358 4.533 4.170 0.008 0.000 0.290 626 I C -1.120 174.742 176.117 -0.426 0.000 1.056 626 I CA -0.940 60.124 61.300 -0.393 0.000 1.057 626 I CB 2.088 39.685 38.000 -0.672 0.000 1.240 626 I HN 0.030 nan 8.210 nan 0.000 0.423 627 D N 5.522 125.679 120.400 -0.405 0.000 2.380 627 D HA 0.228 4.873 4.640 0.008 0.000 0.230 627 D C -0.038 176.047 176.300 -0.358 0.000 1.154 627 D CA 0.027 53.881 54.000 -0.243 0.000 0.859 627 D CB 0.448 41.170 40.800 -0.131 0.000 1.045 627 D HN 0.266 nan 8.370 nan 0.000 0.495 628 F N 2.472 122.378 119.950 -0.073 0.000 2.660 628 F HA 0.298 4.831 4.527 0.010 0.000 0.302 628 F C 1.992 177.686 175.800 -0.177 0.000 1.103 628 F CA 0.332 58.258 58.000 -0.122 0.000 1.340 628 F CB 0.060 39.001 39.000 -0.098 0.000 1.048 628 F HN 0.619 nan 8.300 nan 0.000 0.551 629 G N 0.256 109.046 108.800 -0.017 0.000 2.583 629 G HA2 -0.276 3.688 3.960 0.008 0.000 0.292 629 G HA3 -0.276 3.688 3.960 0.008 0.000 0.292 629 G C 0.013 174.886 174.900 -0.045 0.000 1.203 629 G CA -0.341 44.684 45.100 -0.125 0.000 0.987 629 G HN 0.159 nan 8.290 nan 0.000 0.554 630 E N 2.945 123.046 120.200 -0.165 0.000 2.316 630 E HA 0.355 4.709 4.350 0.008 0.000 0.275 630 E C -1.741 174.861 176.600 0.003 0.000 1.029 630 E CA -1.049 55.335 56.400 -0.027 0.000 0.871 630 E CB 1.100 30.782 29.700 -0.030 0.000 1.022 630 E HN 0.394 nan 8.360 nan 0.000 0.418 631 P HA 0.108 nan 4.420 nan 0.000 0.275 631 P C -0.435 176.927 177.300 0.105 0.000 1.228 631 P CA -0.340 62.804 63.100 0.074 0.000 0.786 631 P CB 0.800 32.548 31.700 0.079 0.000 0.927 632 V N 4.386 124.379 119.914 0.133 0.000 2.318 632 V HA 0.165 4.290 4.120 0.008 0.000 0.271 632 V C 0.778 176.959 176.094 0.145 0.000 1.030 632 V CA -0.661 61.755 62.300 0.192 0.000 0.844 632 V CB 0.609 32.623 31.823 0.317 0.000 1.015 632 V HN 0.409 nan 8.190 nan 0.000 0.460 633 L N 5.691 126.983 121.223 0.114 0.000 2.455 633 L HA 0.249 4.594 4.340 0.008 0.000 0.272 633 L C 1.037 177.923 176.870 0.026 0.000 1.174 633 L CA 0.002 54.887 54.840 0.074 0.000 0.869 633 L CB 0.068 42.175 42.059 0.081 0.000 1.130 633 L HN 0.792 nan 8.230 nan 0.000 0.474 634 N N -0.044 118.675 118.700 0.031 0.000 2.741 634 N HA -0.150 4.594 4.740 0.008 0.000 0.251 634 N C 0.276 175.809 175.510 0.038 0.000 1.112 634 N CA 1.105 54.161 53.050 0.009 0.000 0.750 634 N CB -1.528 36.880 38.487 -0.131 0.000 1.119 634 N HN 0.902 nan 8.380 nan 0.000 0.561 635 T N -0.660 113.904 114.554 0.017 0.000 2.937 635 T HA 0.306 4.661 4.350 0.008 0.000 0.316 635 T C 0.137 174.827 174.700 -0.017 0.000 1.079 635 T CA -0.000 62.035 62.100 -0.108 0.000 1.131 635 T CB 0.708 69.503 68.868 -0.121 0.000 1.000 635 T HN 0.365 nan 8.240 nan 0.000 0.549 636 Y N -0.765 119.355 120.300 -0.299 0.000 2.581 636 Y HA 0.682 5.236 4.550 0.007 0.000 0.337 636 Y C -3.296 172.291 175.900 -0.521 0.000 1.108 636 Y CA -3.295 54.516 58.100 -0.480 0.000 1.033 636 Y CB 0.690 38.972 38.460 -0.298 0.000 1.318 636 Y HN 0.475 nan 8.280 nan 0.000 0.459 637 P HA 0.066 nan 4.420 nan 0.000 0.276 637 P C 0.857 178.051 177.300 -0.176 0.000 1.230 637 P CA -0.211 62.661 63.100 -0.380 0.000 0.776 637 P CB 2.108 33.600 31.700 -0.346 0.000 0.888 638 V N 0.329 120.129 119.914 -0.189 0.000 2.809 638 V HA -0.061 4.064 4.120 0.008 0.000 0.256 638 V C 0.515 176.631 176.094 0.037 0.000 1.080 638 V CA 1.398 63.668 62.300 -0.050 0.000 1.102 638 V CB -1.622 30.146 31.823 -0.091 0.000 0.705 638 V HN 0.716 nan 8.190 nan 0.000 0.475 639 N N -1.593 117.112 118.700 0.008 0.000 3.020 639 N HA 0.257 5.002 4.740 0.008 0.000 0.248 639 N C -0.258 175.264 175.510 0.020 0.000 1.480 639 N CA -0.489 52.582 53.050 0.034 0.000 0.874 639 N CB 0.893 39.401 38.487 0.035 0.000 1.433 639 N HN 0.008 nan 8.380 nan 0.000 0.530 640 E N -1.024 119.197 120.200 0.034 0.000 2.489 640 E HA 0.157 4.511 4.350 0.008 0.000 0.193 640 E C -0.001 176.612 176.600 0.022 0.000 1.057 640 E CA 0.245 56.663 56.400 0.029 0.000 0.866 640 E CB -0.373 29.347 29.700 0.034 0.000 0.916 640 E HN 0.526 nan 8.360 nan 0.000 0.500 641 N N -0.371 118.343 118.700 0.024 0.000 2.422 641 N HA 0.001 4.746 4.740 0.008 0.000 0.181 641 N C -0.146 175.388 175.510 0.039 0.000 1.080 641 N CA -0.215 52.854 53.050 0.032 0.000 0.893 641 N CB 0.727 39.234 38.487 0.034 0.000 0.973 641 N HN -0.112 nan 8.380 nan 0.000 0.456 642 V N 1.670 121.598 119.914 0.024 0.000 2.763 642 V HA -0.015 4.109 4.120 0.008 0.000 0.306 642 V C 0.527 176.635 176.094 0.023 0.000 1.059 642 V CA 0.269 62.581 62.300 0.020 0.000 1.138 642 V CB 1.096 32.905 31.823 -0.023 0.000 0.940 642 V HN 0.153 nan 8.190 nan 0.000 0.489 643 T N 6.930 121.503 114.554 0.033 0.000 2.727 643 T HA 0.443 4.797 4.350 0.008 0.000 0.298 643 T C -0.098 174.593 174.700 -0.014 0.000 0.942 643 T CA -0.232 61.881 62.100 0.021 0.000 0.997 643 T CB 0.061 68.946 68.868 0.029 0.000 0.917 643 T HN 0.356 nan 8.240 nan 0.000 0.487 644 L N 4.708 125.936 121.223 0.008 0.000 2.290 644 L HA 0.360 4.704 4.340 0.008 0.000 0.284 644 L C 1.045 177.921 176.870 0.010 0.000 1.078 644 L CA -0.405 54.446 54.840 0.018 0.000 0.815 644 L CB 0.898 43.002 42.059 0.074 0.000 1.162 644 L HN 0.628 nan 8.230 nan 0.000 0.435 645 L N 2.552 123.754 121.223 -0.034 0.000 2.388 645 L HA 0.257 4.602 4.340 0.008 0.000 0.209 645 L C 0.451 177.312 176.870 -0.014 0.000 1.061 645 L CA 0.265 55.069 54.840 -0.060 0.000 0.834 645 L CB 0.075 42.047 42.059 -0.144 0.000 1.029 645 L HN 0.535 nan 8.230 nan 0.000 0.473 646 R N 0.342 120.842 120.500 -0.001 0.000 2.533 646 R HA 0.635 4.979 4.340 0.008 0.000 0.288 646 R C -1.160 175.146 176.300 0.010 0.000 1.039 646 R CA -0.218 55.886 56.100 0.007 0.000 0.909 646 R CB 1.930 32.256 30.300 0.043 0.000 1.195 646 R HN -0.061 nan 8.270 nan 0.000 0.438 647 A N 2.673 125.553 122.820 0.101 0.000 3.474 647 A HA 0.279 4.603 4.320 0.008 0.000 0.251 647 A C -0.875 176.829 177.584 0.201 0.000 1.062 647 A CA -0.676 51.475 52.037 0.189 0.000 0.945 647 A CB 0.242 19.447 19.000 0.342 0.000 1.296 647 A HN 0.443 nan 8.150 nan 0.000 0.592 648 D N -0.085 120.388 120.400 0.122 0.000 2.312 648 D HA 0.496 5.141 4.640 0.008 0.000 0.248 648 D C 1.277 177.630 176.300 0.089 0.000 1.086 648 D CA 1.141 55.209 54.000 0.114 0.000 0.948 648 D CB 1.337 42.191 40.800 0.089 0.000 1.162 648 D HN 0.955 nan 8.370 nan 0.000 0.446 649 G N 0.378 109.221 108.800 0.071 0.000 2.179 649 G HA2 -0.118 3.847 3.960 0.008 0.000 0.257 649 G HA3 -0.118 3.847 3.960 0.008 0.000 0.257 649 G C 0.961 175.875 174.900 0.023 0.000 1.010 649 G CA 0.601 45.728 45.100 0.045 0.000 0.736 649 G HN 1.267 nan 8.290 nan 0.000 0.513 650 G N -1.611 107.184 108.800 -0.009 0.000 2.147 650 G HA2 0.088 4.053 3.960 0.008 0.000 0.244 650 G HA3 0.088 4.053 3.960 0.008 0.000 0.244 650 G C 0.179 175.105 174.900 0.042 0.000 1.005 650 G CA 1.463 46.499 45.100 -0.106 0.000 0.713 650 G HN 2.118 nan 8.290 nan 0.000 0.515 651 Q N -2.061 117.854 119.800 0.191 0.000 2.707 651 Q HA 0.730 5.075 4.340 0.008 0.000 0.307 651 Q C -1.264 174.905 176.000 0.281 0.000 0.934 651 Q CA -1.097 54.888 55.803 0.302 0.000 0.753 651 Q CB 1.827 30.660 28.738 0.159 0.000 1.478 651 Q HN 0.480 nan 8.270 nan 0.000 0.458 652 V N 1.464 121.480 119.914 0.171 0.000 2.417 652 V HA 0.179 4.304 4.120 0.008 0.000 0.291 652 V C -0.304 175.822 176.094 0.053 0.000 1.024 652 V CA -0.353 62.004 62.300 0.094 0.000 0.861 652 V CB 1.273 33.096 31.823 -0.000 0.000 0.985 652 V HN 0.791 nan 8.190 nan 0.000 0.436 653 Q N 3.034 122.735 119.800 -0.166 0.000 2.423 653 Q HA 0.411 4.756 4.340 0.008 0.000 0.231 653 Q C -0.249 175.397 176.000 -0.590 0.000 0.894 653 Q CA 0.311 55.757 55.803 -0.594 0.000 0.938 653 Q CB 0.770 28.661 28.738 -1.412 0.000 1.079 653 Q HN 0.583 nan 8.270 nan 0.000 0.552 654 L N -0.204 120.851 121.223 -0.279 0.000 2.543 654 L HA 0.805 5.150 4.340 0.008 0.000 0.265 654 L C -2.049 174.812 176.870 -0.016 0.000 0.945 654 L CA -0.559 54.209 54.840 -0.119 0.000 0.869 654 L CB 1.797 43.845 42.059 -0.018 0.000 1.294 654 L HN -0.030 nan 8.230 nan 0.000 0.405 655 A N 2.393 125.233 122.820 0.035 0.000 2.606 655 A HA 0.872 5.197 4.320 0.008 0.000 0.293 655 A C -1.164 176.438 177.584 0.029 0.000 1.082 655 A CA -0.282 51.769 52.037 0.024 0.000 0.685 655 A CB 2.031 21.062 19.000 0.052 0.000 1.284 655 A HN 0.652 nan 8.150 nan 0.000 0.408 656 T N 0.243 114.802 114.554 0.009 0.000 2.912 656 T HA 0.639 4.994 4.350 0.008 0.000 0.299 656 T C -1.439 173.321 174.700 0.101 0.000 1.052 656 T CA -0.474 61.670 62.100 0.074 0.000 0.996 656 T CB 1.042 69.963 68.868 0.089 0.000 1.070 656 T HN 0.868 nan 8.240 nan 0.000 0.465 657 N N 2.769 121.547 118.700 0.129 0.000 2.371 657 N HA 0.376 5.121 4.740 0.008 0.000 0.291 657 N C -1.612 173.989 175.510 0.151 0.000 1.053 657 N CA -0.551 52.574 53.050 0.125 0.000 0.870 657 N CB 1.492 40.041 38.487 0.105 0.000 1.503 657 N HN 0.464 nan 8.380 nan 0.000 0.485 658 D N 1.768 122.256 120.400 0.146 0.000 2.389 658 D HA 0.080 4.724 4.640 0.008 0.000 0.247 658 D C -0.940 175.481 176.300 0.203 0.000 1.128 658 D CA 0.777 54.866 54.000 0.148 0.000 0.884 658 D CB 0.480 41.348 40.800 0.114 0.000 1.194 658 D HN 0.458 nan 8.370 nan 0.000 0.441 659 Y N 1.845 122.167 120.300 0.036 0.000 2.541 659 Y HA 0.395 4.950 4.550 0.008 0.000 0.350 659 Y C 0.743 176.645 175.900 0.003 0.000 1.075 659 Y CA 0.154 58.266 58.100 0.020 0.000 1.302 659 Y CB 0.473 38.947 38.460 0.022 0.000 1.094 659 Y HN 0.653 nan 8.280 nan 0.000 0.579 660 G N 3.761 112.475 108.800 -0.143 0.000 2.556 660 G HA2 -0.383 3.581 3.960 0.008 0.000 0.283 660 G HA3 -0.383 3.581 3.960 0.008 0.000 0.283 660 G C 0.928 175.804 174.900 -0.040 0.000 1.177 660 G CA 0.553 45.582 45.100 -0.118 0.000 0.978 660 G HN 0.573 nan 8.290 nan 0.000 0.554 661 K N 1.354 121.720 120.400 -0.057 0.000 2.366 661 K HA 0.216 4.541 4.320 0.008 0.000 0.198 661 K C 1.620 178.216 176.600 -0.007 0.000 1.044 661 K CA 0.652 56.885 56.287 -0.090 0.000 0.973 661 K CB -0.082 32.338 32.500 -0.134 0.000 0.767 661 K HN 0.672 nan 8.250 nan 0.000 0.475 662 G N 0.542 109.372 108.800 0.050 0.000 2.642 662 G HA2 0.537 4.502 3.960 0.008 0.000 0.291 662 G HA3 0.537 4.502 3.960 0.008 0.000 0.291 662 G C -0.842 174.132 174.900 0.124 0.000 1.345 662 G CA -0.612 44.526 45.100 0.063 0.000 1.043 662 G HN 0.051 nan 8.290 nan 0.000 0.528 663 R N -1.835 118.701 120.500 0.061 0.000 2.698 663 R HA 0.561 4.905 4.340 0.008 0.000 0.275 663 R C -0.543 175.815 176.300 0.096 0.000 1.001 663 R CA -0.675 55.465 56.100 0.067 0.000 0.896 663 R CB 2.451 32.721 30.300 -0.049 0.000 1.218 663 R HN 0.774 nan 8.270 nan 0.000 0.462 664 G N 0.739 109.610 108.800 0.118 0.000 2.453 664 G HA2 0.621 4.585 3.960 0.008 0.000 0.323 664 G HA3 0.621 4.585 3.960 0.008 0.000 0.323 664 G C -1.297 173.691 174.900 0.148 0.000 1.198 664 G CA -0.415 44.776 45.100 0.152 0.000 0.959 664 G HN 0.276 nan 8.290 nan 0.000 0.482 665 V N 1.190 121.191 119.914 0.145 0.000 2.760 665 V HA 0.424 4.549 4.120 0.008 0.000 0.309 665 V C -1.497 174.673 176.094 0.128 0.000 1.077 665 V CA -0.835 61.536 62.300 0.118 0.000 0.910 665 V CB 1.836 33.710 31.823 0.085 0.000 1.008 665 V HN 0.764 nan 8.190 nan 0.000 0.424 666 Y N 5.544 125.846 120.300 0.002 0.000 2.352 666 Y HA 0.785 5.340 4.550 0.009 0.000 0.339 666 Y C -0.599 175.286 175.900 -0.025 0.000 0.992 666 Y CA -0.980 57.112 58.100 -0.012 0.000 1.100 666 Y CB 1.419 39.884 38.460 0.008 0.000 1.192 666 Y HN 0.538 nan 8.280 nan 0.000 0.458 667 I N 5.527 125.593 120.570 -0.840 0.000 2.466 667 I HA 0.207 4.381 4.170 0.008 0.000 0.289 667 I C 0.699 176.231 176.117 -0.975 0.000 1.026 667 I CA -0.578 60.326 61.300 -0.659 0.000 1.078 667 I CB 2.368 40.220 38.000 -0.247 0.000 1.249 667 I HN 0.769 nan 8.210 nan 0.000 0.429 668 S N 3.511 118.770 115.700 -0.734 0.000 2.428 668 S HA 0.202 4.677 4.470 0.008 0.000 0.230 668 S C 0.803 175.290 174.600 -0.188 0.000 1.014 668 S CA 0.499 58.475 58.200 -0.372 0.000 0.957 668 S CB 0.137 63.263 63.200 -0.125 0.000 0.784 668 S HN 0.932 nan 8.310 nan 0.000 0.499 669 G N -0.285 108.430 108.800 -0.141 0.000 2.519 669 G HA2 0.530 4.495 3.960 0.008 0.000 0.292 669 G HA3 0.530 4.495 3.960 0.008 0.000 0.292 669 G C -2.105 172.716 174.900 -0.132 0.000 1.507 669 G CA -0.820 44.139 45.100 -0.235 0.000 0.806 669 G HN 0.463 nan 8.290 nan 0.000 0.523 670 L N 1.392 122.459 121.223 -0.260 0.000 2.440 670 L HA 0.450 4.794 4.340 0.008 0.000 0.261 670 L C -2.545 174.218 176.870 -0.179 0.000 1.382 670 L CA -1.144 53.588 54.840 -0.179 0.000 0.871 670 L CB 1.953 43.943 42.059 -0.114 0.000 1.052 670 L HN 0.278 nan 8.230 nan 0.000 0.509 671 P HA -0.008 nan 4.420 nan 0.000 0.267 671 P C -1.200 176.120 177.300 0.034 0.000 1.200 671 P CA 0.224 63.299 63.100 -0.042 0.000 0.772 671 P CB 0.192 31.922 31.700 0.051 0.000 0.855 672 Y N 3.123 123.440 120.300 0.028 0.000 2.425 672 Y HA 0.362 4.915 4.550 0.005 0.000 0.331 672 Y C 0.316 176.219 175.900 0.004 0.000 1.157 672 Y CA 0.908 59.014 58.100 0.010 0.000 1.372 672 Y CB 0.379 38.859 38.460 0.034 0.000 1.253 672 Y HN 0.560 nan 8.280 nan 0.000 0.536 673 S N 3.016 118.102 115.700 -1.024 0.000 2.611 673 S HA 0.595 5.070 4.470 0.008 0.000 0.270 673 S C 0.100 174.211 174.600 -0.815 0.000 1.131 673 S CA -0.607 57.081 58.200 -0.854 0.000 0.826 673 S CB 0.593 63.574 63.200 -0.364 0.000 1.095 673 S HN 1.086 nan 8.310 nan 0.000 0.461 674 A N 1.406 123.928 122.820 -0.496 0.000 1.883 674 A HA 0.221 4.545 4.320 0.008 0.000 0.217 674 A C 2.356 179.813 177.584 -0.212 0.000 1.186 674 A CA 2.489 54.361 52.037 -0.275 0.000 0.624 674 A CB -1.688 17.223 19.000 -0.149 0.000 0.822 674 A HN 1.763 nan 8.150 nan 0.000 0.444 675 A N 0.106 122.801 122.820 -0.208 0.000 1.877 675 A HA -0.203 4.121 4.320 0.008 0.000 0.216 675 A C 1.902 179.378 177.584 -0.181 0.000 1.186 675 A CA 1.914 53.847 52.037 -0.173 0.000 0.620 675 A CB -0.630 18.267 19.000 -0.171 0.000 0.822 675 A HN 0.543 nan 8.150 nan 0.000 0.443 676 N N 0.224 118.790 118.700 -0.225 0.000 2.331 676 N HA -0.002 4.743 4.740 0.008 0.000 0.180 676 N C 1.746 177.184 175.510 -0.120 0.000 1.019 676 N CA 1.325 54.258 53.050 -0.195 0.000 0.881 676 N CB -0.505 37.853 38.487 -0.216 0.000 0.972 676 N HN 0.474 nan 8.380 nan 0.000 0.435 677 A N 0.932 123.679 122.820 -0.122 0.000 1.930 677 A HA -0.083 4.242 4.320 0.008 0.000 0.217 677 A C 2.278 179.874 177.584 0.021 0.000 1.175 677 A CA 1.276 53.312 52.037 -0.002 0.000 0.627 677 A CB -0.316 18.718 19.000 0.058 0.000 0.815 677 A HN 0.124 nan 8.150 nan 0.000 0.443 678 R N -0.173 120.316 120.500 -0.018 0.000 2.066 678 R HA -0.068 4.277 4.340 0.008 0.000 0.232 678 R C 1.879 178.176 176.300 -0.005 0.000 1.131 678 R CA 1.745 57.850 56.100 0.008 0.000 0.955 678 R CB -1.146 29.136 30.300 -0.030 0.000 0.851 678 R HN 0.405 nan 8.270 nan 0.000 0.432 679 L N 0.177 121.367 121.223 -0.054 0.000 1.990 679 L HA -0.154 4.190 4.340 0.008 0.000 0.213 679 L C 2.128 179.005 176.870 0.011 0.000 1.072 679 L CA 1.879 56.687 54.840 -0.053 0.000 0.755 679 L CB -0.779 41.221 42.059 -0.098 0.000 0.889 679 L HN 0.379 nan 8.230 nan 0.000 0.432 680 L N -0.317 120.917 121.223 0.019 0.000 2.042 680 L HA -0.243 4.102 4.340 0.008 0.000 0.210 680 L C 2.469 179.412 176.870 0.121 0.000 1.076 680 L CA 2.172 57.044 54.840 0.053 0.000 0.749 680 L CB -0.806 41.276 42.059 0.039 0.000 0.893 680 L HN 0.519 nan 8.230 nan 0.000 0.432 681 E N -0.612 119.685 120.200 0.163 0.000 2.058 681 E HA -0.291 4.064 4.350 0.008 0.000 0.194 681 E C 2.347 179.219 176.600 0.453 0.000 0.997 681 E CA 1.553 58.137 56.400 0.307 0.000 0.801 681 E CB -0.102 29.796 29.700 0.331 0.000 0.746 681 E HN 0.469 nan 8.360 nan 0.000 0.450 682 R N -0.161 120.513 120.500 0.291 0.000 2.105 682 R HA -0.128 4.217 4.340 0.008 0.000 0.239 682 R C 2.459 179.036 176.300 0.461 0.000 1.135 682 R CA 1.248 57.532 56.100 0.306 0.000 0.967 682 R CB -0.295 29.940 30.300 -0.108 0.000 0.861 682 R HN 0.134 nan 8.270 nan 0.000 0.442 683 V N 1.523 121.601 119.914 0.273 0.000 2.332 683 V HA -0.253 3.871 4.120 0.008 0.000 0.248 683 V C 2.264 178.504 176.094 0.242 0.000 1.055 683 V CA 1.736 64.177 62.300 0.234 0.000 1.038 683 V CB -0.349 31.544 31.823 0.116 0.000 0.651 683 V HN 0.298 nan 8.190 nan 0.000 0.450 684 L N -1.695 119.648 121.223 0.200 0.000 2.017 684 L HA -0.161 4.184 4.340 0.008 0.000 0.208 684 L C 2.418 179.310 176.870 0.036 0.000 1.073 684 L CA 1.727 56.611 54.840 0.074 0.000 0.745 684 L CB -0.691 41.364 42.059 -0.006 0.000 0.894 684 L HN 0.247 nan 8.230 nan 0.000 0.432 685 F N -1.098 118.970 119.950 0.196 0.000 2.134 685 F HA -0.262 4.270 4.527 0.007 0.000 0.299 685 F C 2.554 178.363 175.800 0.014 0.000 1.097 685 F CA 1.621 59.719 58.000 0.163 0.000 1.264 685 F CB -0.600 38.597 39.000 0.329 0.000 1.001 685 F HN -0.032 nan 8.300 nan 0.000 0.479 686 Y N 0.447 120.809 120.300 0.103 0.000 2.133 686 Y HA -0.129 4.426 4.550 0.008 0.000 0.287 686 Y C 2.388 178.201 175.900 -0.146 0.000 1.134 686 Y CA 1.326 59.337 58.100 -0.148 0.000 1.133 686 Y CB -0.780 37.688 38.460 0.012 0.000 0.987 686 Y HN -0.042 nan 8.280 nan 0.000 0.502 687 A N -0.493 122.357 122.820 0.049 0.000 2.019 687 A HA -0.162 4.162 4.320 0.008 0.000 0.219 687 A C 2.148 179.635 177.584 -0.163 0.000 1.164 687 A CA 1.831 53.835 52.037 -0.055 0.000 0.644 687 A CB -1.165 17.881 19.000 0.077 0.000 0.805 687 A HN 0.553 nan 8.150 nan 0.000 0.449 688 S N -2.200 113.430 115.700 -0.116 0.000 2.671 688 S HA 0.086 4.560 4.470 0.008 0.000 0.220 688 S C 0.449 175.024 174.600 -0.041 0.000 0.951 688 S CA 0.276 58.427 58.200 -0.081 0.000 0.932 688 S CB -0.556 62.606 63.200 -0.063 0.000 0.777 688 S HN 0.576 nan 8.310 nan 0.000 0.508 689 H N 0.686 119.631 119.070 -0.207 0.000 2.791 689 H HA -0.138 4.423 4.556 0.008 0.000 0.302 689 H C -0.464 174.787 175.328 -0.130 0.000 1.198 689 H CA 1.019 56.932 56.048 -0.225 0.000 1.145 689 H CB -2.069 27.585 29.762 -0.180 0.000 1.385 689 H HN 0.678 nan 8.280 nan 0.000 0.409 690 N N 0.021 118.719 118.700 -0.003 0.000 2.401 690 N HA 0.045 4.790 4.740 0.008 0.000 0.264 690 N C 0.994 176.620 175.510 0.194 0.000 1.238 690 N CA -0.174 52.952 53.050 0.127 0.000 0.889 690 N CB 0.557 39.148 38.487 0.172 0.000 1.196 690 N HN 0.293 nan 8.380 nan 0.000 0.511 691 E N 0.698 120.861 120.200 -0.061 0.000 2.160 691 E HA -0.240 4.115 4.350 0.008 0.000 0.195 691 E C 1.436 178.052 176.600 0.027 0.000 0.991 691 E CA 1.274 57.542 56.400 -0.220 0.000 0.810 691 E CB -0.005 29.386 29.700 -0.516 0.000 0.742 691 E HN 0.496 nan 8.360 nan 0.000 0.466 692 D N 0.796 121.224 120.400 0.046 0.000 2.269 692 D HA -0.163 4.482 4.640 0.008 0.000 0.208 692 D C 1.205 177.559 176.300 0.090 0.000 0.963 692 D CA 0.874 54.911 54.000 0.062 0.000 0.864 692 D CB -0.110 40.712 40.800 0.037 0.000 0.936 692 D HN 0.131 nan 8.370 nan 0.000 0.505 693 K N -0.960 119.540 120.400 0.166 0.000 2.400 693 K HA -0.030 4.295 4.320 0.008 0.000 0.194 693 K C 1.656 178.307 176.600 0.086 0.000 1.033 693 K CA -0.124 56.284 56.287 0.202 0.000 1.021 693 K CB -0.057 32.653 32.500 0.350 0.000 0.808 693 K HN 0.117 nan 8.250 nan 0.000 0.505 694 Y N 1.862 122.035 120.300 -0.211 0.000 2.097 694 Y HA -0.291 4.263 4.550 0.007 0.000 0.282 694 Y C 2.249 177.910 175.900 -0.399 0.000 1.152 694 Y CA 1.759 59.424 58.100 -0.724 0.000 1.136 694 Y CB -0.337 37.889 38.460 -0.391 0.000 0.975 694 Y HN 0.030 nan 8.280 nan 0.000 0.498 695 A N 1.205 123.890 122.820 -0.225 0.000 1.940 695 A HA 0.040 4.364 4.320 0.008 0.000 0.219 695 A C 1.609 178.954 177.584 -0.399 0.000 1.176 695 A CA 0.925 52.787 52.037 -0.292 0.000 0.631 695 A CB -1.627 17.313 19.000 -0.101 0.000 0.814 695 A HN 0.567 nan 8.150 nan 0.000 0.446 696 A N -1.986 120.617 122.820 -0.362 0.000 2.520 696 A HA 0.359 4.684 4.320 0.008 0.000 0.245 696 A C 0.157 177.455 177.584 -0.477 0.000 1.072 696 A CA 0.214 51.922 52.037 -0.549 0.000 0.761 696 A CB -1.098 17.627 19.000 -0.457 0.000 1.004 696 A HN 0.971 nan 8.150 nan 0.000 0.499 697 W N 0.953 122.069 121.300 -0.306 0.000 5.563 697 W HA -0.212 4.452 4.660 0.007 0.000 0.396 697 W C 0.722 177.062 176.519 -0.298 0.000 1.519 697 W CA 0.576 57.726 57.345 -0.325 0.000 0.953 697 W CB -2.110 27.193 29.460 -0.261 0.000 2.691 697 W HN 1.089 nan 8.180 nan 0.000 1.444 698 S N -1.115 114.443 115.700 -0.237 0.000 2.600 698 S HA 0.821 5.296 4.470 0.008 0.000 0.300 698 S C -0.343 174.145 174.600 -0.187 0.000 1.087 698 S CA -0.404 57.621 58.200 -0.292 0.000 0.965 698 S CB 2.298 65.130 63.200 -0.614 0.000 1.089 698 S HN 0.399 nan 8.310 nan 0.000 0.496 699 S N 0.702 116.320 115.700 -0.137 0.000 2.454 699 S HA 0.436 4.910 4.470 0.008 0.000 0.306 699 S C 1.183 175.754 174.600 -0.048 0.000 1.100 699 S CA -0.108 58.050 58.200 -0.070 0.000 1.087 699 S CB 0.995 64.162 63.200 -0.056 0.000 1.019 699 S HN 1.064 nan 8.310 nan 0.000 0.480 700 S N 4.195 119.882 115.700 -0.021 0.000 2.368 700 S HA -0.083 4.392 4.470 0.008 0.000 0.224 700 S C 0.863 175.460 174.600 -0.006 0.000 1.029 700 S CA 0.563 58.759 58.200 -0.007 0.000 0.988 700 S CB -0.685 62.515 63.200 -0.001 0.000 0.838 700 S HN 0.745 nan 8.310 nan 0.000 0.462 701 N N 3.250 121.948 118.700 -0.003 0.000 2.442 701 N HA 0.240 4.985 4.740 0.008 0.000 0.265 701 N C -2.242 173.258 175.510 -0.016 0.000 1.138 701 N CA -2.034 51.011 53.050 -0.008 0.000 0.956 701 N CB 1.336 39.824 38.487 0.002 0.000 1.067 701 N HN 0.032 nan 8.380 nan 0.000 0.474 702 P HA -0.031 nan 4.420 nan 0.000 0.226 702 P C 0.375 177.656 177.300 -0.031 0.000 1.153 702 P CA 0.901 63.984 63.100 -0.029 0.000 0.777 702 P CB 0.385 32.056 31.700 -0.049 0.000 0.794 703 E N -1.350 118.834 120.200 -0.028 0.000 2.482 703 E HA 0.001 4.356 4.350 0.008 0.000 0.196 703 E C 0.334 176.923 176.600 -0.018 0.000 1.047 703 E CA 0.396 56.783 56.400 -0.022 0.000 0.869 703 E CB -0.322 29.368 29.700 -0.016 0.000 0.836 703 E HN 0.276 nan 8.360 nan 0.000 0.520 704 C N 0.408 119.693 119.300 -0.025 0.000 2.667 704 C HA 0.548 5.013 4.460 0.008 0.000 0.323 704 C C 0.303 175.265 174.990 -0.047 0.000 1.214 704 C CA -0.858 58.136 59.018 -0.041 0.000 1.721 704 C CB 1.932 29.642 27.740 -0.050 0.000 2.275 704 C HN 0.174 nan 8.230 nan 0.000 0.491 705 E N -0.005 120.155 120.200 -0.067 0.000 2.392 705 E HA 0.685 5.040 4.350 0.008 0.000 0.269 705 E C -1.587 174.962 176.600 -0.086 0.000 0.924 705 E CA -0.566 55.797 56.400 -0.062 0.000 0.784 705 E CB 2.319 31.992 29.700 -0.045 0.000 1.292 705 E HN 0.378 nan 8.360 nan 0.000 0.447 706 V N 1.002 120.879 119.914 -0.061 0.000 2.555 706 V HA 0.685 4.810 4.120 0.008 0.000 0.302 706 V C -0.807 175.255 176.094 -0.052 0.000 1.038 706 V CA -0.626 61.651 62.300 -0.039 0.000 0.887 706 V CB 1.583 33.409 31.823 0.005 0.000 0.991 706 V HN 0.744 nan 8.190 nan 0.000 0.434 707 A N 3.164 125.941 122.820 -0.072 0.000 2.319 707 A HA 0.620 4.945 4.320 0.008 0.000 0.310 707 A C -0.726 176.704 177.584 -0.257 0.000 1.152 707 A CA -0.505 51.404 52.037 -0.214 0.000 0.783 707 A CB 0.562 19.450 19.000 -0.188 0.000 1.184 707 A HN 0.995 nan 8.150 nan 0.000 0.474 708 H N 2.481 121.185 119.070 -0.611 0.000 2.488 708 H HA 0.565 5.126 4.556 0.007 0.000 0.322 708 H C -1.715 173.141 175.328 -0.785 0.000 1.078 708 H CA -0.603 55.022 56.048 -0.705 0.000 1.260 708 H CB 0.653 29.690 29.762 -1.208 0.000 1.425 708 H HN 0.522 nan 8.280 nan 0.000 0.471 709 F N 7.487 127.184 119.950 -0.421 0.000 2.453 709 F HA 0.238 4.769 4.527 0.007 0.000 0.358 709 F C -1.707 173.817 175.800 -0.460 0.000 1.129 709 F CA -2.042 55.735 58.000 -0.371 0.000 1.200 709 F CB 1.321 40.267 39.000 -0.090 0.000 1.431 709 F HN 0.523 nan 8.300 nan 0.000 0.503 710 P HA -0.214 nan 4.420 nan 0.000 0.216 710 P C 1.035 178.270 177.300 -0.108 0.000 1.153 710 P CA 1.674 64.565 63.100 -0.348 0.000 0.858 710 P CB 0.368 31.878 31.700 -0.317 0.000 0.789 711 E N -0.696 119.420 120.200 -0.140 0.000 2.347 711 E HA -0.142 4.213 4.350 0.008 0.000 0.196 711 E C 1.658 178.242 176.600 -0.027 0.000 1.008 711 E CA 0.710 57.033 56.400 -0.127 0.000 0.852 711 E CB -0.164 29.422 29.700 -0.190 0.000 0.783 711 E HN 0.321 nan 8.360 nan 0.000 0.505 712 Q N -0.836 118.970 119.800 0.011 0.000 2.319 712 Q HA 0.151 4.496 4.340 0.008 0.000 0.202 712 Q C 0.689 176.725 176.000 0.060 0.000 0.896 712 Q CA 0.450 56.263 55.803 0.018 0.000 0.942 712 Q CB 1.144 29.867 28.738 -0.026 0.000 1.083 712 Q HN 0.286 nan 8.270 nan 0.000 0.510 713 G N 1.042 109.899 108.800 0.095 0.000 2.366 713 G HA2 -0.264 3.700 3.960 0.008 0.000 0.299 713 G HA3 -0.264 3.700 3.960 0.008 0.000 0.299 713 G C -0.503 174.517 174.900 0.200 0.000 1.020 713 G CA 0.351 45.545 45.100 0.156 0.000 1.026 713 G HN 0.247 nan 8.290 nan 0.000 0.512 714 L N -0.896 120.477 121.223 0.250 0.000 2.393 714 L HA 0.823 5.168 4.340 0.008 0.000 0.260 714 L C -0.077 177.091 176.870 0.497 0.000 1.002 714 L CA -1.701 53.341 54.840 0.337 0.000 0.818 714 L CB 2.211 44.457 42.059 0.312 0.000 1.369 714 L HN 0.363 nan 8.230 nan 0.000 0.412 715 Y N 0.223 120.744 120.300 0.367 0.000 2.553 715 Y HA 0.796 5.350 4.550 0.007 0.000 0.347 715 Y C -0.564 175.399 175.900 0.106 0.000 1.019 715 Y CA -1.532 56.720 58.100 0.254 0.000 1.032 715 Y CB 1.356 39.896 38.460 0.133 0.000 1.284 715 Y HN 0.710 nan 8.280 nan 0.000 0.466 716 C N 1.926 121.158 119.300 -0.113 0.000 2.667 716 C HA 0.910 5.375 4.460 0.008 0.000 0.323 716 C C -0.767 174.026 174.990 -0.328 0.000 1.214 716 C CA -1.125 57.499 59.018 -0.657 0.000 1.721 716 C CB 1.147 27.846 27.740 -1.735 0.000 2.275 716 C HN 1.083 nan 8.230 nan 0.000 0.491 717 V N 3.529 123.162 119.914 -0.469 0.000 2.540 717 V HA 0.758 4.882 4.120 0.008 0.000 0.302 717 V C -0.357 175.530 176.094 -0.345 0.000 1.035 717 V CA -0.533 61.536 62.300 -0.385 0.000 0.873 717 V CB 1.450 32.921 31.823 -0.588 0.000 0.992 717 V HN 0.997 nan 8.190 nan 0.000 0.428 718 I N 3.366 123.797 120.570 -0.231 0.000 2.530 718 I HA 0.653 4.827 4.170 0.008 0.000 0.297 718 I C -0.579 175.475 176.117 -0.104 0.000 1.011 718 I CA -0.791 60.412 61.300 -0.162 0.000 1.107 718 I CB 2.038 39.946 38.000 -0.153 0.000 1.285 718 I HN 0.568 nan 8.210 nan 0.000 0.436 719 N N 3.745 122.410 118.700 -0.058 0.000 2.414 719 N HA 0.261 5.006 4.740 0.008 0.000 0.256 719 N C -0.259 175.241 175.510 -0.017 0.000 1.029 719 N CA -0.279 52.756 53.050 -0.025 0.000 0.948 719 N CB 0.715 39.206 38.487 0.007 0.000 1.102 719 N HN 0.749 nan 8.380 nan 0.000 0.496 720 N N 0.841 119.532 118.700 -0.015 0.000 2.461 720 N HA -0.017 4.727 4.740 0.008 0.000 0.188 720 N C -0.192 175.332 175.510 0.023 0.000 1.134 720 N CA 0.208 53.256 53.050 -0.004 0.000 0.878 720 N CB 0.323 38.817 38.487 0.012 0.000 0.972 720 N HN 0.657 nan 8.380 nan 0.000 0.456 721 T N -2.197 112.372 114.554 0.026 0.000 2.940 721 T HA 0.179 4.534 4.350 0.008 0.000 0.288 721 T C 0.095 174.824 174.700 0.048 0.000 1.045 721 T CA -0.936 61.186 62.100 0.036 0.000 1.018 721 T CB 1.674 70.557 68.868 0.024 0.000 1.151 721 T HN -0.028 nan 8.240 nan 0.000 0.529 722 D N -0.073 120.358 120.400 0.051 0.000 2.434 722 D HA 0.123 4.768 4.640 0.008 0.000 0.232 722 D C -0.002 176.323 176.300 0.041 0.000 1.166 722 D CA -0.231 53.803 54.000 0.055 0.000 0.830 722 D CB 0.026 40.862 40.800 0.061 0.000 0.960 722 D HN 0.349 nan 8.370 nan 0.000 0.497 723 Q N 0.424 120.245 119.800 0.034 0.000 2.399 723 Q HA 0.445 4.790 4.340 0.008 0.000 0.276 723 Q C -2.744 173.273 176.000 0.029 0.000 1.098 723 Q CA -2.283 53.537 55.803 0.028 0.000 0.827 723 Q CB 1.690 30.440 28.738 0.021 0.000 1.386 723 Q HN 0.017 nan 8.270 nan 0.000 0.443 724 P HA 0.067 nan 4.420 nan 0.000 0.268 724 P C -0.745 176.573 177.300 0.030 0.000 1.205 724 P CA 0.123 63.243 63.100 0.032 0.000 0.771 724 P CB 0.582 32.300 31.700 0.030 0.000 0.858 725 Q N 2.019 121.840 119.800 0.037 0.000 2.285 725 Q HA 0.322 4.666 4.340 0.008 0.000 0.269 725 Q C -0.571 175.460 176.000 0.052 0.000 1.030 725 Q CA -0.538 55.286 55.803 0.034 0.000 0.788 725 Q CB 2.687 31.439 28.738 0.023 0.000 1.266 725 Q HN 0.391 nan 8.270 nan 0.000 0.438 726 K N 1.130 121.560 120.400 0.050 0.000 2.172 726 K HA 0.637 4.962 4.320 0.008 0.000 0.276 726 K C -0.216 176.428 176.600 0.073 0.000 1.013 726 K CA -0.244 56.085 56.287 0.070 0.000 0.913 726 K CB 1.574 34.104 32.500 0.050 0.000 1.055 726 K HN 0.467 nan 8.250 nan 0.000 0.461 727 T N 0.740 115.366 114.554 0.120 0.000 2.894 727 T HA 0.286 4.641 4.350 0.008 0.000 0.309 727 T C -1.289 173.520 174.700 0.180 0.000 1.208 727 T CA -0.512 61.655 62.100 0.112 0.000 1.016 727 T CB 1.646 70.556 68.868 0.071 0.000 1.192 727 T HN 0.424 nan 8.240 nan 0.000 0.491 728 T N 2.764 117.389 114.554 0.118 0.000 2.771 728 T HA 0.596 4.951 4.350 0.008 0.000 0.281 728 T C -0.467 174.296 174.700 0.106 0.000 0.982 728 T CA -0.434 61.739 62.100 0.122 0.000 0.978 728 T CB 1.101 69.995 68.868 0.044 0.000 0.930 728 T HN 0.457 nan 8.240 nan 0.000 0.447 729 V N 3.847 123.873 119.914 0.186 0.000 2.427 729 V HA 0.429 4.554 4.120 0.008 0.000 0.286 729 V C 0.430 176.487 176.094 -0.062 0.000 1.034 729 V CA -0.645 61.699 62.300 0.074 0.000 0.893 729 V CB 1.779 33.723 31.823 0.201 0.000 0.982 729 V HN 0.927 nan 8.190 nan 0.000 0.452 730 T N 6.701 121.131 114.554 -0.206 0.000 2.758 730 T HA 0.579 4.934 4.350 0.008 0.000 0.285 730 T C -0.059 174.282 174.700 -0.598 0.000 0.981 730 T CA -0.293 61.620 62.100 -0.311 0.000 0.965 730 T CB 0.513 69.218 68.868 -0.272 0.000 0.927 730 T HN 0.384 nan 8.240 nan 0.000 0.448 731 L N 1.617 122.432 121.223 -0.681 0.000 2.448 731 L HA 0.582 4.927 4.340 0.008 0.000 0.258 731 L C 1.991 178.191 176.870 -1.117 0.000 1.104 731 L CA -1.180 52.897 54.840 -1.272 0.000 0.800 731 L CB -0.024 41.547 42.059 -0.814 0.000 1.241 731 L HN 0.655 nan 8.230 nan 0.000 0.472 732 A N 0.762 122.776 122.820 -1.343 0.000 1.940 732 A HA -0.236 4.089 4.320 0.008 0.000 0.219 732 A C 1.655 179.053 177.584 -0.309 0.000 1.176 732 A CA 2.051 53.706 52.037 -0.636 0.000 0.631 732 A CB -0.924 17.963 19.000 -0.189 0.000 0.814 732 A HN 0.987 nan 8.150 nan 0.000 0.446 733 D N -2.565 117.690 120.400 -0.241 0.000 2.269 733 D HA 0.253 4.897 4.640 0.008 0.000 0.208 733 D C 1.310 177.530 176.300 -0.134 0.000 0.963 733 D CA 1.331 55.255 54.000 -0.127 0.000 0.864 733 D CB -0.427 40.334 40.800 -0.064 0.000 0.936 733 D HN 0.858 nan 8.370 nan 0.000 0.505 734 G N -0.527 108.155 108.800 -0.196 0.000 2.211 734 G HA2 -0.224 3.740 3.960 0.008 0.000 0.201 734 G HA3 -0.224 3.740 3.960 0.008 0.000 0.201 734 G C 0.534 175.354 174.900 -0.134 0.000 0.997 734 G CA 0.181 45.187 45.100 -0.157 0.000 0.652 734 G HN 0.764 nan 8.290 nan 0.000 0.500 735 T N 0.197 114.675 114.554 -0.127 0.000 2.856 735 T HA 0.563 4.918 4.350 0.008 0.000 0.306 735 T C 0.496 175.126 174.700 -0.116 0.000 1.062 735 T CA 1.022 63.067 62.100 -0.092 0.000 1.083 735 T CB 1.660 70.497 68.868 -0.052 0.000 0.984 735 T HN 1.480 nan 8.240 nan 0.000 0.542 736 T N -1.418 113.095 114.554 -0.070 0.000 2.916 736 T HA 0.685 5.040 4.350 0.008 0.000 0.292 736 T C -1.104 173.589 174.700 -0.013 0.000 1.064 736 T CA -0.998 61.070 62.100 -0.054 0.000 1.011 736 T CB 2.208 71.047 68.868 -0.048 0.000 1.152 736 T HN 0.934 nan 8.240 nan 0.000 0.510 737 E N 0.302 120.520 120.200 0.031 0.000 2.331 737 E HA 0.431 4.786 4.350 0.008 0.000 0.275 737 E C -1.600 174.945 176.600 -0.091 0.000 0.895 737 E CA -0.749 55.619 56.400 -0.053 0.000 0.753 737 E CB 1.613 31.285 29.700 -0.046 0.000 1.216 737 E HN 0.652 nan 8.360 nan 0.000 0.434 738 D N 2.622 122.883 120.400 -0.233 0.000 2.193 738 D HA 0.394 5.039 4.640 0.008 0.000 0.249 738 D C -0.885 175.184 176.300 -0.385 0.000 1.034 738 D CA 0.172 54.089 54.000 -0.139 0.000 0.902 738 D CB 0.712 41.466 40.800 -0.076 0.000 1.182 738 D HN 0.237 nan 8.370 nan 0.000 0.436 739 F N 0.136 120.110 119.950 0.039 0.000 2.588 739 F HA 0.272 4.804 4.527 0.008 0.000 0.314 739 F C 0.083 175.900 175.800 0.028 0.000 1.069 739 F CA -0.979 57.045 58.000 0.040 0.000 0.931 739 F CB 2.012 41.040 39.000 0.047 0.000 1.260 739 F HN -0.012 nan 8.300 nan 0.000 0.465 740 D N 2.816 123.342 120.400 0.210 0.000 2.469 740 D HA 0.417 5.062 4.640 0.008 0.000 0.251 740 D C -1.366 175.012 176.300 0.130 0.000 1.173 740 D CA -0.122 53.958 54.000 0.133 0.000 0.882 740 D CB 1.080 41.928 40.800 0.079 0.000 1.129 740 D HN 0.405 nan 8.370 nan 0.000 0.549 741 L N 5.364 126.654 121.223 0.112 0.000 2.295 741 L HA 0.502 4.847 4.340 0.008 0.000 0.285 741 L C -1.848 175.062 176.870 0.066 0.000 1.035 741 L CA -1.634 53.260 54.840 0.089 0.000 0.806 741 L CB 1.869 43.963 42.059 0.058 0.000 1.214 741 L HN 0.221 nan 8.230 nan 0.000 0.426 742 P HA -0.006 nan 4.420 nan 0.000 0.275 742 P C -0.767 176.564 177.300 0.051 0.000 1.266 742 P CA -0.495 62.635 63.100 0.050 0.000 0.793 742 P CB 0.462 32.188 31.700 0.044 0.000 1.074 743 D N 0.539 120.965 120.400 0.043 0.000 3.139 743 D HA -0.170 4.475 4.640 0.008 0.000 0.212 743 D C 0.097 176.443 176.300 0.077 0.000 1.084 743 D CA 1.330 55.361 54.000 0.051 0.000 0.777 743 D CB -0.511 40.312 40.800 0.039 0.000 1.156 743 D HN 0.363 nan 8.370 nan 0.000 0.537 744 S N 0.878 116.633 115.700 0.092 0.000 3.319 744 S HA -0.171 4.304 4.470 0.008 0.000 0.319 744 S C 0.927 175.626 174.600 0.164 0.000 1.236 744 S CA 0.773 59.056 58.200 0.139 0.000 0.964 744 S CB -1.822 61.512 63.200 0.225 0.000 1.040 744 S HN 0.920 nan 8.310 nan 0.000 0.620 745 G N 0.088 108.956 108.800 0.113 0.000 2.667 745 G HA2 0.557 4.521 3.960 0.008 0.000 0.250 745 G HA3 0.557 4.521 3.960 0.008 0.000 0.250 745 G C -0.366 174.582 174.900 0.079 0.000 1.212 745 G CA -0.162 45.010 45.100 0.122 0.000 0.874 745 G HN 0.600 nan 8.290 nan 0.000 0.561 746 I N -0.483 120.136 120.570 0.081 0.000 2.722 746 I HA 0.672 4.846 4.170 0.008 0.000 0.295 746 I C -0.523 175.566 176.117 -0.047 0.000 1.161 746 I CA -0.967 60.312 61.300 -0.036 0.000 1.032 746 I CB 2.095 40.102 38.000 0.011 0.000 1.244 746 I HN 0.719 nan 8.210 nan 0.000 0.421 747 A N 5.773 128.459 122.820 -0.223 0.000 2.414 747 A HA 0.738 5.063 4.320 0.008 0.000 0.306 747 A C -2.219 175.191 177.584 -0.291 0.000 1.054 747 A CA -0.358 51.620 52.037 -0.099 0.000 0.724 747 A CB 0.865 19.894 19.000 0.048 0.000 1.267 747 A HN 0.722 nan 8.150 nan 0.000 0.418 748 W N 1.644 122.928 121.300 -0.027 0.000 2.606 748 W HA 0.762 5.427 4.660 0.009 0.000 0.332 748 W C 0.328 176.766 176.519 -0.134 0.000 1.052 748 W CA -0.263 57.019 57.345 -0.105 0.000 1.223 748 W CB 1.721 31.142 29.460 -0.065 0.000 1.383 748 W HN 0.563 nan 8.180 nan 0.000 0.524 749 R N 1.189 121.643 120.500 -0.077 0.000 2.774 749 R HA 0.247 4.591 4.340 0.008 0.000 0.272 749 R C -0.846 175.444 176.300 -0.016 0.000 1.000 749 R CA -1.264 54.770 56.100 -0.111 0.000 0.906 749 R CB 1.867 32.007 30.300 -0.267 0.000 1.227 749 R HN 0.560 nan 8.270 nan 0.000 0.468 750 E N 0.808 121.073 120.200 0.110 0.000 2.373 750 E HA 0.420 4.774 4.350 0.008 0.000 0.267 750 E C -0.963 175.833 176.600 0.326 0.000 1.032 750 E CA 0.066 56.577 56.400 0.186 0.000 0.889 750 E CB 1.021 30.813 29.700 0.152 0.000 0.984 750 E HN 0.592 nan 8.360 nan 0.000 0.425 751 A N 3.855 126.886 122.820 0.352 0.000 2.530 751 A HA 0.492 4.816 4.320 0.008 0.000 0.288 751 A C -0.865 176.904 177.584 0.308 0.000 1.172 751 A CA -0.794 51.502 52.037 0.431 0.000 0.733 751 A CB 0.716 20.055 19.000 0.565 0.000 1.320 751 A HN 0.623 nan 8.150 nan 0.000 0.419 752 L N 1.580 122.987 121.223 0.306 0.000 2.485 752 L HA 0.147 4.491 4.340 0.008 0.000 0.275 752 L C 0.217 177.225 176.870 0.230 0.000 1.207 752 L CA 0.049 55.031 54.840 0.237 0.000 0.855 752 L CB 0.242 42.435 42.059 0.223 0.000 1.114 752 L HN 0.631 nan 8.230 nan 0.000 0.485 753 E N 3.402 123.710 120.200 0.181 0.000 2.200 753 E HA 0.289 4.643 4.350 0.008 0.000 0.283 753 E C -0.268 176.463 176.600 0.218 0.000 1.015 753 E CA -0.533 55.965 56.400 0.163 0.000 0.819 753 E CB 1.243 31.020 29.700 0.128 0.000 1.081 753 E HN 0.643 nan 8.360 nan 0.000 0.397 754 H N 0.000 119.114 119.070 0.073 0.000 2.539 754 H HA 0.000 4.561 4.556 0.008 0.000 0.296 754 H CA 0.000 56.084 56.048 0.060 0.000 1.023 754 H CB 0.000 29.792 29.762 0.050 0.000 1.292 754 H HN 0.000 nan 8.280 nan 0.000 0.496